#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qn3 s ILE 13 N 0.00 3.08 0.18 1.69 -4.36 -1.26 -5.06 121.20 115.47 2qn3 s ILE 13 Ca 0.00 -0.95 -0.15 0.00 -0.26 0.00 0.00 60.65 59.29 2qn3 s ILE 13 Cb 0.00 -2.28 0.10 0.00 1.25 0.00 0.00 42.46 41.52 2qn3 s ILE 13 CO 0.00 0.42 1.70 -1.28 0.24 0.00 0.00 174.94 176.02 2qn3 h SER 14 N 4.75 -0.16 0.39 4.36 0.87 -1.96 -2.71 113.55 119.10 2qn3 h SER 14 Ca -0.47 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 2qn3 h SER 14 Cb 1.16 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2qn3 h SER 14 CO 0.50 -0.04 0.00 -0.37 -0.53 0.00 0.00 176.83 176.39 2qn3 h VAL 15 N 0.13 0.00 -0.06 2.23 -1.51 -1.94 -2.20 116.25 112.90 2qn3 h VAL 15 Ca 0.22 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.55 2qn3 h VAL 15 Cb 0.32 0.84 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 2qn3 h VAL 15 CO -0.36 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.52 2qn3 n ARG 16 N -2.45 1.48 0.00 5.19 1.74 -1.02 -5.04 116.66 116.56 2qn3 n ARG 16 Ca -0.00 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.38 2qn3 n ARG 16 Cb 0.14 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 2qn3 n ARG 16 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qn3 n GLY 17 N 1.07 -2.79 3.82 -0.13 0.00 -0.83 -1.78 105.19 104.56 2qn3 n GLY 17 Ca 0.18 -1.86 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 2qn3 n GLY 17 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qn3 s LEU 18 N 0.00 4.35 -0.76 0.99 2.01 -1.26 -4.67 118.68 119.33 2qn3 s LEU 18 Ca 0.00 1.30 0.03 0.00 0.01 0.00 0.00 54.13 55.47 2qn3 s LEU 18 Cb 0.00 -3.46 0.26 0.00 0.01 0.00 0.00 46.19 43.00 2qn3 s LEU 18 CO 0.00 0.06 0.94 0.00 1.01 0.00 0.00 176.35 178.36 2qn3 n ALA 19 N 0.77 4.35 -1.77 4.21 0.00 -1.26 -3.77 120.51 123.04 2qn3 n ALA 19 Ca -0.04 -4.78 -0.36 0.00 0.00 0.00 0.00 53.44 48.27 2qn3 n ALA 19 Cb 0.51 -1.31 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 2qn3 n ALA 19 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qn3 s GLY 20 N -2.23 2.69 0.21 0.00 0.00 -1.26 -4.87 107.32 101.87 2qn3 s GLY 20 Ca 0.37 0.86 -0.09 0.00 0.00 0.00 0.00 44.72 45.87 2qn3 s GLY 20 CO 0.01 1.26 1.80 -2.08 0.00 0.00 0.00 173.10 174.10 2qn3 h VAL 21 N 1.51 0.93 0.01 1.40 2.07 -1.99 -1.22 116.25 118.96 2qn3 h VAL 21 Ca -0.50 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.80 2qn3 h VAL 21 Cb 1.25 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2qn3 h VAL 21 CO 0.58 0.12 -0.00 -0.08 0.02 0.00 0.00 177.57 178.21 2qn3 h GLU 22 N 0.66 -0.01 -0.39 1.57 4.57 -2.00 -2.46 114.58 116.52 2qn3 h GLU 22 Ca 0.31 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.46 2qn3 h GLU 22 Cb 0.24 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2qn3 h GLU 22 CO -0.21 0.00 0.11 -0.91 -1.18 0.00 0.00 179.01 176.82 2qn3 h ASN 23 N -0.03 0.59 -0.41 1.04 4.21 -1.85 -2.07 115.58 117.06 2qn3 h ASN 23 Ca -0.00 -0.22 -0.01 0.00 1.21 0.00 0.00 56.30 57.28 2qn3 h ASN 23 Cb 0.02 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.05 2qn3 h ASN 23 CO 0.00 0.65 0.22 0.58 -1.29 0.00 0.00 177.43 177.60 2qn3 h VAL 24 N 0.49 1.15 -0.47 2.81 2.07 -1.25 0.26 116.25 121.31 2qn3 h VAL 24 Ca 0.12 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2qn3 h VAL 24 Cb 0.29 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2qn3 h VAL 24 CO -0.00 0.16 0.30 0.74 0.02 0.00 0.00 177.57 178.79 2qn3 h THR 25 N 0.53 1.09 -0.59 2.57 2.02 -1.40 -1.46 112.91 115.67 2qn3 h THR 25 Ca 0.14 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 67.02 2qn3 h THR 25 Cb 0.06 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2qn3 h THR 25 CO -0.02 0.11 -0.00 -0.08 0.37 0.00 0.00 175.52 175.90 2qn3 h GLU 26 N 0.61 1.03 -0.48 6.66 4.57 -1.12 -2.50 114.58 123.35 2qn3 h GLU 26 Ca 0.18 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 57.99 2qn3 h GLU 26 Cb -0.04 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 2qn3 h GLU 26 CO -0.06 1.01 0.11 -0.07 -1.18 0.00 0.00 179.01 178.82 2qn3 h LEU 27 N 0.94 0.74 -0.76 1.64 3.38 -0.75 -2.07 115.31 118.43 2qn3 h LEU 27 Ca 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2qn3 h LEU 27 Cb 0.55 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2qn3 h LEU 27 CO 0.03 0.78 0.49 0.11 0.09 0.00 0.00 178.44 179.94 2qn3 h LYS 28 N 0.66 1.01 -0.09 1.13 1.57 -1.16 -0.11 116.57 119.58 2qn3 h LYS 28 Ca 0.15 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 2qn3 h LYS 28 Cb 0.33 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2qn3 h LYS 28 CO 0.00 0.68 -0.74 1.57 -0.57 0.00 0.00 179.45 180.39 2qn3 h LYS 29 N 1.03 0.47 -0.01 3.15 2.10 -1.37 -1.94 116.57 120.00 2qn3 h LYS 29 Ca 0.28 -0.39 -0.13 0.00 -2.00 0.00 0.00 60.65 58.40 2qn3 h LYS 29 Cb -0.09 0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 2qn3 h LYS 29 CO -0.06 1.02 -0.61 -0.91 -2.00 0.00 0.00 179.45 176.90 2qn3 h ASN 30 N 0.32 0.06 -0.13 7.07 2.35 -1.23 -0.76 115.58 123.27 2qn3 h ASN 30 Ca -0.04 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2qn3 h ASN 30 Cb 1.33 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 2qn3 h ASN 30 CO 0.13 0.65 0.06 0.15 -1.65 0.00 0.00 177.43 176.78 2qn3 h PHE 31 N 0.04 0.19 -0.28 1.19 3.57 -0.92 -2.01 116.94 118.72 2qn3 h PHE 31 Ca -0.01 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2qn3 h PHE 31 Cb 1.09 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 2qn3 h PHE 31 CO 0.00 0.24 -0.11 -0.91 -2.23 0.00 0.00 178.31 175.30 2qn3 h ASN 32 N 0.09 0.44 -0.37 0.41 2.35 -1.17 -1.83 115.58 115.49 2qn3 h ASN 32 Ca 0.05 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 2qn3 h ASN 32 Cb 0.12 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2qn3 h ASN 32 CO -0.01 0.59 0.09 -0.09 -1.65 0.00 0.00 177.43 176.37 2qn3 h ARG 33 N 0.43 0.59 -0.44 0.81 2.43 -1.06 -2.53 114.38 114.62 2qn3 h ARG 33 Ca 0.08 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 58.98 2qn3 h ARG 33 Cb 0.46 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 2qn3 h ARG 33 CO 0.03 0.63 -0.22 0.45 -1.51 0.00 0.00 179.97 179.35 2qn3 h HIS 34 N 0.45 1.03 -0.78 2.20 3.86 -1.12 0.15 115.15 120.94 2qn3 h HIS 34 Ca 0.12 -0.24 -0.00 0.00 -1.16 0.00 0.00 60.37 59.08 2qn3 h HIS 34 Cb 0.30 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.49 2qn3 h HIS 34 CO 0.02 1.03 0.48 1.25 0.86 0.00 0.00 177.93 181.57 2qn3 h LEU 35 N 0.78 0.92 0.04 2.43 5.85 -1.31 -0.10 115.31 123.92 2qn3 h LEU 35 Ca 0.10 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2qn3 h LEU 35 Cb 0.77 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2qn3 h LEU 35 CO 0.06 0.70 -0.02 -0.74 -0.34 0.00 0.00 178.44 178.10 2qn3 h HIS 36 N 1.07 -0.05 0.17 1.25 2.76 -1.24 -1.74 115.15 117.37 2qn3 h HIS 36 Ca 0.28 -0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 58.16 2qn3 h HIS 36 Cb -0.07 0.02 0.01 0.00 1.55 0.00 0.00 27.41 28.93 2qn3 h HIS 36 CO 0.00 -0.03 -1.31 0.74 -1.30 0.00 0.00 177.93 176.03 2qn3 h PHE 37 N -0.62 0.64 0.04 5.26 0.04 -0.78 -2.17 116.94 119.35 2qn3 h PHE 37 Ca -0.01 -0.47 -0.20 0.00 2.80 0.00 0.00 57.97 60.09 2qn3 h PHE 37 Cb 0.04 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 2qn3 h PHE 37 CO 0.01 1.36 -1.07 1.15 -0.60 0.00 0.00 178.31 179.16 2qn3 h THR 38 N 0.10 1.13 0.00 -1.55 2.02 -1.23 -3.38 112.91 110.00 2qn3 h THR 38 Ca -0.17 -2.30 0.00 0.00 0.77 0.00 0.00 66.41 64.71 2qn3 h THR 38 Cb 2.03 2.65 0.00 0.00 -1.74 0.00 0.00 68.15 71.09 2qn3 h THR 38 CO 0.23 0.53 -0.79 0.18 0.37 0.00 0.00 175.52 176.03 2qn3 n LEU 39 N -4.26 0.64 -3.59 2.58 4.77 -0.22 -4.99 117.00 111.93 2qn3 n LEU 39 Ca -0.25 0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.56 2qn3 n LEU 39 Cb 0.73 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.71 2qn3 n LEU 39 CO 0.31 0.02 -0.05 0.52 -1.33 0.00 0.00 177.39 176.85 2qn3 n VAL 40 N -1.95 -6.13 -4.15 4.08 0.31 -0.82 -4.99 118.33 104.68 2qn3 n VAL 40 Ca 0.03 -0.90 -0.09 0.00 -0.01 0.00 0.00 64.34 63.37 2qn3 n VAL 40 Cb 0.42 -4.64 -0.10 0.00 -0.91 0.00 0.00 33.84 28.61 2qn3 n VAL 40 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2qn3 s LYS 41 N -5.62 0.85 0.32 5.55 -0.14 -0.67 -5.03 119.74 115.00 2qn3 s LYS 41 Ca 0.31 -1.38 0.06 0.00 -1.36 0.00 0.00 55.97 53.60 2qn3 s LYS 41 Cb -0.09 0.12 -0.06 0.00 -1.68 0.00 0.00 37.83 36.12 2qn3 s LYS 41 CO 0.82 -0.17 -0.01 0.16 -0.76 0.00 0.00 175.35 175.38 2qn3 s ASP 42 N -3.03 2.94 0.63 2.83 -4.77 -1.26 -3.93 116.67 110.08 2qn3 s ASP 42 Ca 0.18 -1.28 0.31 0.00 -3.30 0.00 0.00 52.55 48.45 2qn3 s ASP 42 Cb 0.07 -0.20 1.67 0.00 -1.09 0.00 0.00 42.92 43.37 2qn3 s ASP 42 CO -0.02 -0.43 1.99 0.03 0.70 0.00 0.00 175.17 177.44 2qn3 h ARG 43 N 2.11 0.00 0.00 2.11 2.47 -1.96 -1.83 114.38 117.28 2qn3 h ARG 43 Ca -0.41 0.00 -0.16 0.00 -1.26 0.00 0.00 59.98 58.15 2qn3 h ARG 43 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.54 2qn3 h ARG 43 CO 0.71 0.00 -0.75 -0.91 0.56 0.00 0.00 179.97 179.57 2qn3 h ASN 44 N 0.00 0.00 -0.00 7.04 2.35 -2.05 -3.33 115.58 119.59 2qn3 h ASN 44 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2qn3 h ASN 44 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 2qn3 h ASN 44 CO -0.00 0.75 -0.09 1.33 -1.65 0.00 0.00 177.43 177.77 2qn3 n VAL 45 N -3.63 0.00 -2.07 2.81 0.24 -0.76 -5.03 118.33 109.89 2qn3 n VAL 45 Ca -0.01 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.34 61.42 2qn3 n VAL 45 Cb 0.73 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 34.13 2qn3 n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qn3 s ALA 46 N -0.86 3.65 0.42 2.33 0.00 -0.78 -4.96 121.76 121.56 2qn3 s ALA 46 Ca 0.04 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.24 2qn3 s ALA 46 Cb 0.04 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.58 2qn3 s ALA 46 CO 0.11 -0.68 0.64 0.95 0.00 0.00 0.00 175.76 176.78 2qn3 s THR 47 N 0.76 4.32 0.43 0.00 -4.23 -1.26 -4.97 115.64 110.69 2qn3 s THR 47 Ca 0.64 -0.46 0.16 0.00 -1.18 0.00 0.00 61.69 60.85 2qn3 s THR 47 Cb -0.40 -3.59 0.36 0.00 1.34 0.00 0.00 72.50 70.21 2qn3 s THR 47 CO 0.34 -0.41 1.92 -0.65 -0.54 0.00 0.00 174.62 175.28 2qn3 h PRO 48 N 0.49 0.38 -0.70 3.99 0.11 -2.00 -0.90 132.00 133.37 2qn3 h PRO 48 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2qn3 h PRO 48 Cb 1.24 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 2qn3 h PRO 48 CO 0.58 0.25 0.21 -0.09 -0.21 0.00 0.00 178.00 178.75 2qn3 h ARG 49 N 0.39 1.08 -0.85 1.05 2.43 -1.97 -1.65 114.38 114.88 2qn3 h ARG 49 Ca 0.37 -0.23 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 2qn3 h ARG 49 Cb 0.87 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2qn3 h ARG 49 CO -0.11 0.93 0.56 -0.44 -1.51 0.00 0.00 179.97 179.39 2qn3 h ASP 50 N 1.04 0.95 -0.70 -3.80 3.45 -1.56 -1.86 116.42 113.95 2qn3 h ASP 50 Ca 0.23 -0.02 -0.08 0.00 0.43 0.00 0.00 57.03 57.59 2qn3 h ASP 50 Cb 0.30 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 2qn3 h ASP 50 CO -0.01 0.68 0.14 1.88 -1.57 0.00 0.00 179.24 180.36 2qn3 h TYR 51 N 1.12 1.20 -0.07 4.55 0.05 -0.99 -0.99 116.97 121.83 2qn3 h TYR 51 Ca 0.32 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.96 2qn3 h TYR 51 Cb -0.09 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.29 2qn3 h TYR 51 CO -0.02 0.99 -0.05 -0.92 -1.05 0.00 0.00 178.16 177.11 2qn3 h TYR 52 N 1.07 -0.13 -0.68 4.88 3.20 -1.02 -1.89 116.97 122.39 2qn3 h TYR 52 Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2qn3 h TYR 52 Cb 0.41 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.72 2qn3 h TYR 52 CO 0.03 -0.09 0.33 0.74 -1.64 0.00 0.00 178.16 177.53 2qn3 h PHE 53 N -0.06 0.97 -0.77 -3.82 -1.00 -1.08 0.12 116.94 111.30 2qn3 h PHE 53 Ca 0.05 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 2qn3 h PHE 53 Cb 0.13 -0.30 -0.03 0.00 3.61 0.00 0.00 35.95 39.35 2qn3 h PHE 53 CO -0.16 0.71 0.35 0.00 -1.61 0.00 0.00 178.31 177.60 2qn3 h ALA 54 N 1.39 0.99 -0.26 2.45 0.00 -1.05 -0.80 119.26 121.98 2qn3 h ALA 54 Ca 0.24 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2qn3 h ALA 54 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2qn3 h ALA 54 CO -0.03 0.57 -0.10 1.25 0.00 0.00 0.00 179.25 180.94 2qn3 h LEU 55 N 1.09 0.54 -0.40 0.00 5.85 -0.70 -2.19 115.31 119.50 2qn3 h LEU 55 Ca 0.26 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2qn3 h LEU 55 Cb 0.15 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2qn3 h LEU 55 CO -0.03 0.81 0.22 0.00 -0.34 0.00 0.00 178.44 179.10 2qn3 h ALA 56 N 0.75 0.50 -0.67 1.25 0.00 -0.59 -0.47 119.26 120.03 2qn3 h ALA 56 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2qn3 h ALA 56 Cb 0.59 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2qn3 h ALA 56 CO 0.03 -0.13 0.30 0.45 0.00 0.00 0.00 179.25 179.90 2qn3 h HIS 57 N 0.44 0.96 -0.38 0.00 3.86 -1.18 0.72 115.15 119.58 2qn3 h HIS 57 Ca 0.16 -0.05 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2qn3 h HIS 57 Cb 0.04 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 2qn3 h HIS 57 CO -0.09 0.72 0.15 1.15 0.86 0.00 0.00 177.93 180.73 2qn3 h THR 58 N 0.95 1.19 -0.27 2.45 2.02 -0.73 -1.86 112.91 116.66 2qn3 h THR 58 Ca 0.23 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.70 2qn3 h THR 58 Cb 0.14 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2qn3 h THR 58 CO -0.03 0.21 -0.32 0.58 0.37 0.00 0.00 175.52 176.33 2qn3 h VAL 59 N 0.47 1.30 -1.01 3.16 2.07 -0.93 -3.11 116.25 118.21 2qn3 h VAL 59 Ca 0.13 -1.50 0.13 0.00 0.82 0.00 0.00 66.70 66.28 2qn3 h VAL 59 Cb 0.18 1.64 -0.09 0.00 -1.52 0.00 0.00 31.29 31.50 2qn3 h VAL 59 CO -0.01 0.48 0.63 -0.09 0.02 0.00 0.00 177.57 178.60 2qn3 h ARG 60 N 0.43 0.92 -0.96 1.57 2.43 -0.75 -1.52 114.38 116.51 2qn3 h ARG 60 Ca 0.04 -0.06 0.16 0.00 -0.81 0.00 0.00 59.98 59.31 2qn3 h ARG 60 Cb 0.90 -0.21 -0.08 0.00 -0.42 0.00 0.00 29.97 30.16 2qn3 h ARG 60 CO 0.08 0.61 0.60 -0.44 -1.51 0.00 0.00 179.97 179.31 2qn3 h ASP 61 N 0.95 0.74 0.85 -3.80 3.45 -1.26 -1.33 116.42 116.02 2qn3 h ASP 61 Ca 0.52 0.06 -0.02 0.00 0.43 0.00 0.00 57.03 58.02 2qn3 h ASP 61 Cb 0.57 -0.09 -0.00 0.00 -0.56 0.00 0.00 39.33 39.26 2qn3 h ASP 61 CO -0.29 0.34 -0.07 0.45 -1.57 0.00 0.00 179.24 178.10 2qn3 h HIS 62 N 0.77 0.00 0.00 4.55 3.86 -1.36 -2.87 115.15 120.10 2qn3 h HIS 62 Ca 0.50 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.52 2qn3 h HIS 62 Cb 0.75 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.20 2qn3 h HIS 62 CO -0.00 0.07 -0.89 -0.07 0.86 0.00 0.00 177.93 177.90 2qn3 h LEU 63 N 0.00 0.03 0.23 2.43 3.38 -1.25 -3.41 115.31 116.72 2qn3 h LEU 63 Ca -0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2qn3 h LEU 63 Cb 0.52 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2qn3 h LEU 63 CO 0.01 0.90 -0.18 0.58 0.09 0.00 0.00 178.44 179.84 2qn3 h VAL 64 N 0.01 0.61 -0.49 1.22 2.07 -1.43 0.27 116.25 118.50 2qn3 h VAL 64 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 2qn3 h VAL 64 Cb 1.56 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2qn3 h VAL 64 CO 0.12 0.00 0.26 1.23 0.02 0.00 0.00 177.57 179.20 2qn3 h GLY 65 N -0.42 0.68 1.34 2.17 0.00 -1.78 -0.96 103.07 104.10 2qn3 h GLY 65 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 2qn3 h GLY 65 CO -0.01 0.14 0.11 3.21 0.00 0.00 0.00 176.54 179.98 2qn3 h ARG 66 N 0.52 0.82 -0.04 4.80 3.08 -1.73 -1.50 114.38 120.33 2qn3 h ARG 66 Ca 0.21 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 2qn3 h ARG 66 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 2qn3 h ARG 66 CO -0.13 0.76 0.01 2.35 -1.07 0.00 0.00 179.97 181.89 2qn3 h TRP 67 N 0.79 0.07 -0.74 3.04 7.01 -0.32 -0.03 115.95 125.77 2qn3 h TRP 67 Ca 0.17 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.13 2qn3 h TRP 67 Cb 0.32 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.33 2qn3 h TRP 67 CO 0.02 0.30 0.32 0.82 -2.79 0.00 0.00 178.44 177.11 2qn3 h ILE 68 N -0.18 1.25 0.00 2.65 2.04 -1.13 -2.67 117.51 119.47 2qn3 h ILE 68 Ca 0.01 -0.74 -0.11 0.00 1.00 0.00 0.00 64.86 65.02 2qn3 h ILE 68 Cb 0.27 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 2qn3 h ILE 68 CO 0.00 0.30 -0.55 0.08 0.00 0.00 0.00 178.15 177.99 2qn3 h ARG 69 N 1.05 0.00 -0.11 2.37 0.11 -1.22 -1.95 114.38 114.64 2qn3 h ARG 69 Ca 0.25 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.32 2qn3 h ARG 69 Cb 0.17 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.24 2qn3 h ARG 69 CO -0.03 0.55 0.01 1.15 0.10 0.00 0.00 179.97 181.75 2qn3 h THR 70 N 0.00 1.23 -0.28 0.08 2.02 -0.93 -1.80 112.91 113.23 2qn3 h THR 70 Ca -0.01 -0.72 -0.09 0.00 0.77 0.00 0.00 66.41 66.36 2qn3 h THR 70 Cb 1.37 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.26 2qn3 h THR 70 CO 0.07 0.21 -0.22 1.56 0.37 0.00 0.00 175.52 177.50 2qn3 h GLN 71 N -0.06 0.53 -0.14 6.66 1.08 -1.41 -2.05 115.11 119.72 2qn3 h GLN 71 Ca 0.03 -0.19 -0.11 0.00 -1.45 0.00 0.00 58.65 56.93 2qn3 h GLN 71 Cb 0.31 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2qn3 h GLN 71 CO 0.00 0.72 -0.41 -0.56 -0.95 0.00 0.00 178.83 177.63 2qn3 h GLN 72 N 0.47 0.32 -0.65 1.46 3.07 -1.39 -2.71 115.11 115.68 2qn3 h GLN 72 Ca 0.07 -0.16 0.01 0.00 0.09 0.00 0.00 58.65 58.66 2qn3 h GLN 72 Cb 0.65 -0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.17 2qn3 h GLN 72 CO 0.05 0.69 0.43 1.25 0.09 0.00 0.00 178.83 181.34 2qn3 h HIS 73 N 0.27 0.82 -0.22 0.06 2.76 -0.73 -1.87 115.15 116.24 2qn3 h HIS 73 Ca 0.02 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.13 2qn3 h HIS 73 Cb 0.85 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 2qn3 h HIS 73 CO 0.02 0.52 -0.24 1.88 -1.30 0.00 0.00 177.93 178.80 2qn3 h TYR 74 N 0.88 0.44 -0.37 5.26 0.05 -1.30 -0.72 116.97 121.22 2qn3 h TYR 74 Ca 0.24 -0.09 -0.04 0.00 0.05 0.00 0.00 58.73 58.89 2qn3 h TYR 74 Cb -0.10 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 2qn3 h TYR 74 CO -0.03 0.61 0.06 -0.92 -1.05 0.00 0.00 178.16 176.84 2qn3 h TYR 75 N 0.36 0.65 -0.08 4.88 3.20 -1.15 0.92 116.97 125.74 2qn3 h TYR 75 Ca 0.06 -0.09 -0.22 0.00 3.14 0.00 0.00 58.73 61.61 2qn3 h TYR 75 Cb 0.62 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.72 2qn3 h TYR 75 CO 0.02 0.66 -0.85 0.93 -1.64 0.00 0.00 178.16 177.27 2qn3 h GLU 76 N 0.45 0.61 0.00 1.82 4.39 -1.18 -3.29 114.58 117.39 2qn3 h GLU 76 Ca 0.11 -0.56 -0.12 0.00 0.34 0.00 0.00 59.36 59.14 2qn3 h GLU 76 Cb 0.36 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 2qn3 h GLU 76 CO 0.01 1.17 -0.93 0.87 -1.16 0.00 0.00 179.01 178.97 2qn3 h LYS 77 N 0.39 0.00 -6.41 2.33 1.57 -1.19 -3.49 116.57 109.78 2qn3 h LYS 77 Ca -0.07 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.24 2qn3 h LYS 77 Cb 1.47 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.82 2qn3 h LYS 77 CO 0.16 0.34 -0.94 -3.47 -0.57 0.00 0.00 179.45 174.97 2qn3 n ASP 78 N -3.02 -3.91 -4.69 0.86 2.03 0.32 -4.98 116.55 103.15 2qn3 n ASP 78 Ca -0.03 -1.06 -0.29 0.00 0.52 0.00 0.00 54.79 53.92 2qn3 n ASP 78 Cb 0.75 -3.02 0.12 0.00 -0.72 0.00 0.00 41.12 38.26 2qn3 n ASP 78 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qn3 s PRO 79 N -6.36 1.49 0.19 -0.67 0.04 -1.26 -4.99 135.00 123.45 2qn3 s PRO 79 Ca 0.37 0.01 -0.31 0.00 0.04 0.00 0.00 61.00 61.10 2qn3 s PRO 79 Cb -0.15 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.38 2qn3 s PRO 79 CO 0.89 -1.90 1.58 0.21 0.04 0.00 0.00 177.00 177.82 2qn3 s LYS 80 N -5.61 4.20 -0.07 4.56 2.20 -1.26 -4.96 119.74 118.79 2qn3 s LYS 80 Ca 0.65 2.42 -0.10 0.00 -0.36 0.00 0.00 55.97 58.58 2qn3 s LYS 80 Cb -0.10 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.05 2qn3 s LYS 80 CO 0.51 -0.61 0.25 1.03 -0.36 0.00 0.00 175.35 176.16 2qn3 s ARG 81 N 0.83 3.64 -0.20 4.03 1.81 -0.07 -4.56 118.95 124.43 2qn3 s ARG 81 Ca 0.69 0.08 -0.06 0.00 -1.72 0.00 0.00 55.73 54.72 2qn3 s ARG 81 Cb -0.45 -3.21 -0.03 0.00 -0.45 0.00 0.00 34.95 30.81 2qn3 s ARG 81 CO 0.34 0.74 0.03 0.42 -0.68 0.00 0.00 175.30 176.15 2qn3 s ILE 82 N -1.03 4.32 -0.29 1.52 -1.09 -0.50 -1.43 121.20 122.71 2qn3 s ILE 82 Ca 0.18 -0.19 -0.02 0.00 -2.23 0.00 0.00 60.65 58.39 2qn3 s ILE 82 Cb -0.14 -2.96 0.04 0.00 -1.58 0.00 0.00 42.46 37.82 2qn3 s ILE 82 CO 0.08 0.43 -0.00 -0.31 -1.23 0.00 0.00 174.94 173.90 2qn3 s TYR 83 N 0.83 3.20 -0.48 3.97 2.02 0.62 -0.77 117.35 126.75 2qn3 s TYR 83 Ca 0.02 -1.69 -0.17 0.00 -0.37 0.00 0.00 57.07 54.86 2qn3 s TYR 83 Cb -0.14 -2.12 0.06 0.00 -0.40 0.00 0.00 41.96 39.36 2qn3 s TYR 83 CO 0.02 -0.76 0.51 -0.47 -1.57 0.00 0.00 175.55 173.28 2qn3 s TYR 84 N 1.30 3.14 -0.23 2.71 5.04 -0.11 -0.71 117.35 128.49 2qn3 s TYR 84 Ca -0.03 -0.64 -0.15 0.00 -2.44 0.00 0.00 57.07 53.82 2qn3 s TYR 84 Cb -0.19 -3.27 -0.04 0.00 0.35 0.00 0.00 41.96 38.81 2qn3 s TYR 84 CO -0.01 -0.88 0.34 -0.51 -1.34 0.00 0.00 175.55 173.15 2qn3 s LEU 85 N 2.19 4.11 -0.07 6.97 1.02 -0.35 -1.56 118.68 130.98 2qn3 s LEU 85 Ca 0.11 0.37 -0.14 0.00 0.02 0.00 0.00 54.13 54.49 2qn3 s LEU 85 Cb -0.20 -2.41 0.03 0.00 0.02 0.00 0.00 46.19 43.63 2qn3 s LEU 85 CO 0.10 -0.08 0.33 -0.55 0.02 0.00 0.00 176.35 176.17 2qn3 s SER 86 N 1.22 -0.27 0.00 2.29 0.15 -0.97 -1.77 113.70 114.35 2qn3 s SER 86 Ca 0.16 0.38 0.29 0.00 0.70 0.00 0.00 55.95 57.47 2qn3 s SER 86 Cb -0.15 0.50 1.23 0.00 -1.71 0.00 0.00 66.02 65.90 2qn3 s SER 86 CO 0.08 -0.29 1.86 0.18 1.20 0.00 0.00 173.24 176.27 2qn3 n LEU 87 N 2.04 0.47 -3.80 3.45 7.99 -1.26 -4.16 117.00 121.73 2qn3 n LEU 87 Ca -0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.67 2qn3 n LEU 87 Cb 0.57 -0.18 -0.16 0.00 -0.11 0.00 0.00 43.42 43.54 2qn3 n LEU 87 CO 0.19 0.09 -0.36 -1.61 -1.51 0.00 0.00 177.39 174.18 2qn3 s GLU 88 N -2.46 0.11 -0.30 3.23 2.02 -1.26 -4.72 118.70 115.32 2qn3 s GLU 88 Ca 0.29 0.12 -0.02 0.00 0.02 0.00 0.00 54.97 55.39 2qn3 s GLU 88 Cb 0.20 -0.33 0.10 0.00 0.10 0.00 0.00 34.13 34.20 2qn3 s GLU 88 CO 0.47 -0.14 0.10 -0.06 0.02 0.00 0.00 175.26 175.66 2qn3 s PHE 89 N 0.95 1.27 -1.21 1.61 0.40 -0.05 -4.63 117.98 116.32 2qn3 s PHE 89 Ca -0.09 -1.44 -0.14 0.00 -0.60 0.00 0.00 56.93 54.67 2qn3 s PHE 89 Cb -0.12 -1.44 0.17 0.00 0.51 0.00 0.00 43.02 42.14 2qn3 s PHE 89 CO -0.02 -0.85 1.44 -0.47 0.70 0.00 0.00 175.22 176.02 2qn3 s TYR 90 N 1.77 3.51 0.08 0.36 6.14 -0.44 -3.49 117.35 125.27 2qn3 s TYR 90 Ca 0.09 -2.15 0.06 0.00 0.64 0.00 0.00 57.07 55.72 2qn3 s TYR 90 Cb -0.17 -4.32 -0.23 0.00 0.42 0.00 0.00 41.96 37.67 2qn3 s TYR 90 CO -0.28 -1.40 1.12 0.52 0.64 0.00 0.00 175.55 176.16 2qn3 h MET 91 N 7.13 0.04 0.00 4.97 2.86 -1.74 -3.41 114.93 124.78 2qn3 h MET 91 Ca 0.32 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 2qn3 h MET 91 Cb 0.87 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2qn3 h MET 91 CO 1.25 0.93 0.00 0.41 1.06 0.00 0.00 176.91 180.56 2qn3 n GLY 92 N 1.43 0.32 3.84 8.32 0.00 -1.03 -4.82 105.19 113.26 2qn3 n GLY 92 Ca -0.05 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 2qn3 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qn3 s ARG 93 N 0.00 3.85 -0.07 1.61 0.52 -1.26 -1.59 118.95 122.00 2qn3 s ARG 93 Ca 0.00 0.98 0.09 0.00 -0.52 0.00 0.00 55.73 56.28 2qn3 s ARG 93 Cb 0.00 -2.12 -0.12 0.00 0.52 0.00 0.00 34.95 33.23 2qn3 s ARG 93 CO 0.00 -0.36 0.08 2.41 0.02 0.00 0.00 175.30 177.45 2qn3 n THR 94 N -1.69 0.49 0.44 0.02 -1.04 -1.26 -4.67 114.28 106.56 2qn3 n THR 94 Ca 0.07 -0.36 -0.20 0.00 -2.04 0.00 0.00 64.05 61.53 2qn3 n THR 94 Cb 0.54 -0.51 -0.10 0.00 -1.82 0.00 0.00 70.33 68.44 2qn3 n THR 94 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2qn3 h LEU 95 N 0.00 -1.19 -0.76 -4.42 5.85 -1.96 -1.22 115.31 111.61 2qn3 h LEU 95 Ca -0.19 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2qn3 h LEU 95 Cb 1.31 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 42.65 2qn3 h LEU 95 CO 0.01 -0.74 0.39 -0.61 -0.34 0.00 0.00 178.44 177.15 2qn3 h GLN 96 N -1.19 1.08 -0.99 1.25 4.15 -1.96 -2.03 115.11 115.42 2qn3 h GLN 96 Ca -0.11 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.22 2qn3 h GLN 96 Cb 0.95 -0.20 -0.06 0.00 0.21 0.00 0.00 27.48 28.38 2qn3 h GLN 96 CO 0.12 0.82 0.65 -0.97 -1.93 0.00 0.00 178.83 177.51 2qn3 h ASN 97 N 1.06 1.07 -0.43 -0.69 -0.73 -1.80 -0.08 115.58 113.98 2qn3 h ASN 97 Ca 0.26 -0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.35 2qn3 h ASN 97 Cb 0.07 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.41 2qn3 h ASN 97 CO -0.04 0.72 -0.04 0.74 -0.37 0.00 0.00 177.43 178.45 2qn3 h THR 98 N 1.23 1.27 -0.56 -3.57 2.02 -0.81 -2.06 112.91 110.42 2qn3 h THR 98 Ca 0.40 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2qn3 h THR 98 Cb 0.04 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2qn3 h THR 98 CO -0.13 0.37 0.31 0.24 0.37 0.00 0.00 175.52 176.68 2qn3 h MET 99 N 0.61 0.78 -0.09 6.66 2.86 -0.80 -1.99 114.93 122.96 2qn3 h MET 99 Ca 0.12 -0.09 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2qn3 h MET 99 Cb 0.54 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 2qn3 h MET 99 CO 0.03 0.60 -0.06 0.28 1.06 0.00 0.00 176.91 178.82 2qn3 h VAL 100 N 0.76 0.82 0.00 -2.22 2.07 -0.93 0.62 116.25 117.37 2qn3 h VAL 100 Ca 0.20 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.72 2qn3 h VAL 100 Cb 0.04 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2qn3 h VAL 100 CO -0.03 0.00 0.00 0.78 0.02 0.00 0.00 177.57 178.34 2qn3 h ASN 101 N -0.06 0.00 -0.07 0.57 4.21 -1.24 -2.81 115.58 116.18 2qn3 h ASN 101 Ca 0.06 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.57 2qn3 h ASN 101 Cb 0.14 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2qn3 h ASN 101 CO -0.13 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.19 2qn3 n LEU 102 N -2.88 2.84 -3.49 1.61 4.32 -0.76 -0.58 117.00 118.06 2qn3 n LEU 102 Ca 0.02 -1.07 -0.23 0.00 -0.02 0.00 0.00 56.01 54.70 2qn3 n LEU 102 Cb 0.35 -0.03 0.07 0.00 -1.62 0.00 0.00 43.42 42.19 2qn3 n LEU 102 CO 0.27 0.50 0.22 0.00 -1.22 0.00 0.00 177.39 177.17 2qn3 n ALA 103 N 1.21 -1.25 0.56 -1.18 0.00 -0.50 -4.93 120.51 114.41 2qn3 n ALA 103 Ca 0.13 0.39 0.06 0.00 0.00 0.00 0.00 53.44 54.03 2qn3 n ALA 103 Cb 0.53 -5.31 0.02 0.00 0.00 0.00 0.00 19.45 14.70 2qn3 n ALA 103 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qn3 n LEU 104 N -4.84 1.71 0.14 0.00 4.32 0.09 -4.51 117.00 113.91 2qn3 n LEU 104 Ca -0.00 -0.87 -0.14 0.00 -0.02 0.00 0.00 56.01 54.98 2qn3 n LEU 104 Cb 0.56 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.29 2qn3 n LEU 104 CO 0.62 0.32 0.79 -0.08 -1.22 0.00 0.00 177.39 177.83 2qn3 h GLU 105 N 1.94 -0.26 -0.70 3.23 4.81 -1.61 -0.62 114.58 121.37 2qn3 h GLU 105 Ca 0.00 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2qn3 h GLU 105 Cb 0.48 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 2qn3 h GLU 105 CO 0.00 -0.16 0.18 -0.91 -0.73 0.00 0.00 179.01 177.39 2qn3 h ASN 106 N -0.29 1.06 -0.22 1.04 2.35 -1.62 -0.75 115.58 117.15 2qn3 h ASN 106 Ca -0.03 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 2qn3 h ASN 106 Cb 0.22 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 2qn3 h ASN 106 CO 0.05 1.01 0.14 0.00 -1.65 0.00 0.00 177.43 176.98 2qn3 h ALA 107 N 1.08 0.28 -0.46 -0.83 0.00 -1.61 -0.63 119.26 117.10 2qn3 h ALA 107 Ca 0.22 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2qn3 h ALA 107 Cb 0.36 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qn3 h ALA 107 CO 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 179.25 178.96 2qn3 h ASP 109 N 0.73 0.34 -0.18 0.00 3.58 -0.90 -0.77 116.42 119.21 2qn3 h ASP 109 Ca 0.13 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 2qn3 h ASP 109 Cb 0.53 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2qn3 h ASP 109 CO 0.03 0.25 -0.08 -0.08 -2.88 0.00 0.00 179.24 176.48 2qn3 h GLU 110 N 0.41 0.38 -0.47 0.28 4.57 -0.94 -1.65 114.58 117.16 2qn3 h GLU 110 Ca 0.12 -0.16 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 2qn3 h GLU 110 Cb -0.03 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.49 2qn3 h GLU 110 CO -0.04 0.67 0.12 0.00 -1.18 0.00 0.00 179.01 178.57 2qn3 h ALA 111 N 0.70 0.53 -0.19 2.92 0.00 -0.74 -1.28 119.26 121.21 2qn3 h ALA 111 Ca 0.04 0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 2qn3 h ALA 111 Cb 0.55 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2qn3 h ALA 111 CO 0.02 -0.28 -0.52 1.79 0.00 0.00 0.00 179.25 180.26 2qn3 h THR 112 N 0.26 1.32 -0.42 0.00 1.35 -1.15 -2.86 112.91 111.41 2qn3 h THR 112 Ca 0.23 -1.76 0.01 0.00 -0.55 0.00 0.00 66.41 64.34 2qn3 h THR 112 Cb 0.28 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.41 2qn3 h THR 112 CO -0.28 0.55 0.26 0.22 -0.25 0.00 0.00 175.52 176.02 2qn3 h TYR 113 N 0.43 0.48 0.00 4.73 3.20 -0.87 0.33 116.97 125.28 2qn3 h TYR 113 Ca 0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 2qn3 h TYR 113 Cb 1.06 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 2qn3 h TYR 113 CO 0.04 0.29 -0.09 1.96 -1.64 0.00 0.00 178.16 178.73 2qn3 h GLN 114 N 0.52 0.00 -0.01 1.82 4.20 -1.18 -0.58 115.11 119.89 2qn3 h GLN 114 Ca 0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.87 2qn3 h GLN 114 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2qn3 h GLN 114 CO -0.06 0.09 -0.12 1.28 -0.67 0.00 0.00 178.83 179.35 2qn3 n LEU 115 N -3.43 0.63 -0.03 1.46 4.32 -0.84 -4.93 117.00 114.18 2qn3 n LEU 115 Ca -0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.89 2qn3 n LEU 115 Cb 0.24 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 2qn3 n LEU 115 CO 0.28 0.11 0.00 0.61 -1.22 0.00 0.00 177.39 177.18 2qn3 n GLY 116 N 1.26 0.67 3.31 -0.72 0.00 -0.22 -5.07 105.19 104.41 2qn3 n GLY 116 Ca 0.15 -0.73 -0.24 0.00 0.00 0.00 0.00 46.02 45.20 2qn3 n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qn3 s LEU 117 N -0.05 2.32 -0.34 0.99 1.43 0.05 -5.01 118.68 118.07 2qn3 s LEU 117 Ca 0.00 -0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 2qn3 s LEU 117 Cb 0.00 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.29 2qn3 s LEU 117 CO 0.00 0.06 0.23 -0.62 0.23 0.00 0.00 176.35 176.25 2qn3 s ASP 118 N -2.05 5.95 0.28 2.29 3.68 -1.26 -3.37 116.67 122.19 2qn3 s ASP 118 Ca 0.09 -0.50 -0.02 0.00 2.13 0.00 0.00 52.55 54.25 2qn3 s ASP 118 Cb -0.09 -2.11 0.40 0.00 -1.45 0.00 0.00 42.92 39.66 2qn3 s ASP 118 CO 0.05 -0.25 1.84 -0.03 0.13 0.00 0.00 175.17 176.91 2qn3 h MET 119 N 8.47 0.88 -0.35 4.34 1.85 -1.92 -2.50 114.93 125.70 2qn3 h MET 119 Ca -0.31 -0.16 -0.03 0.00 -0.61 0.00 0.00 59.70 58.59 2qn3 h MET 119 Cb 1.15 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 33.02 2qn3 h MET 119 CO 0.64 0.75 0.08 0.93 -0.40 0.00 0.00 176.91 178.91 2qn3 h GLU 120 N 0.85 0.51 -0.42 0.39 5.08 -1.99 0.38 114.58 119.38 2qn3 h GLU 120 Ca 0.19 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 2qn3 h GLU 120 Cb 0.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2qn3 h GLU 120 CO -0.01 0.47 -0.16 1.49 -1.00 0.00 0.00 179.01 179.81 2qn3 h GLU 121 N 0.50 0.84 -0.51 2.33 4.81 -1.89 -3.01 114.58 117.64 2qn3 h GLU 121 Ca 0.12 -0.35 -0.08 0.00 -0.13 0.00 0.00 59.36 58.92 2qn3 h GLU 121 Cb 0.20 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2qn3 h GLU 121 CO -0.00 0.98 0.01 -0.07 -0.73 0.00 0.00 179.01 179.20 2qn3 h LEU 122 N 0.66 0.82 -1.55 1.64 4.07 -1.02 -3.01 115.31 116.92 2qn3 h LEU 122 Ca 0.10 -0.20 -0.00 0.00 0.08 0.00 0.00 57.88 57.85 2qn3 h LEU 122 Cb 0.71 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 2qn3 h LEU 122 CO 0.05 0.88 0.23 -0.33 -1.08 0.00 0.00 178.44 178.18 2qn3 h GLU 123 N 0.79 0.53 0.00 1.13 5.08 -0.86 -2.47 114.58 118.78 2qn3 h GLU 123 Ca 0.15 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2qn3 h GLU 123 Cb 0.46 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2qn3 h GLU 123 CO 0.02 0.38 0.00 0.93 -1.00 0.00 0.00 179.01 179.34 2qn3 h GLU 124 N 0.54 0.00 0.00 2.33 4.39 -1.40 -3.05 114.58 117.39 2qn3 h GLU 124 Ca 0.14 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.68 2qn3 h GLU 124 Cb -0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2qn3 h GLU 124 CO -0.03 0.00 -0.79 0.82 -1.16 0.00 0.00 179.01 177.86 2qn3 h ILE 125 N 0.00 1.43 -3.26 3.13 2.04 -1.54 -3.46 117.51 115.85 2qn3 h ILE 125 Ca 0.00 -2.83 -0.53 0.00 1.00 0.00 0.00 64.86 62.51 2qn3 h ILE 125 Cb 0.32 2.58 0.07 0.00 -0.74 0.00 0.00 36.82 39.05 2qn3 h ILE 125 CO 0.00 0.77 0.84 -0.70 0.00 0.00 0.00 178.15 179.07 2qn3 s GLU 126 N -2.97 4.19 0.32 2.37 2.12 -1.15 -4.99 118.70 118.59 2qn3 s GLU 126 Ca 0.01 2.45 -0.27 0.00 0.36 0.00 0.00 54.97 57.52 2qn3 s GLU 126 Cb 0.10 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.32 2qn3 s GLU 126 CO 0.79 -0.55 1.02 -1.21 -0.54 0.00 0.00 175.26 174.77 2qn3 s GLU 127 N -0.18 4.51 0.31 4.30 0.41 -1.26 -4.97 118.70 121.82 2qn3 s GLU 127 Ca 0.63 1.56 -0.29 0.00 -0.41 0.00 0.00 54.97 56.45 2qn3 s GLU 127 Cb -0.45 -2.91 -0.11 0.00 -1.78 0.00 0.00 34.13 28.88 2qn3 s GLU 127 CO 0.43 0.16 1.42 -0.51 -0.49 0.00 0.00 175.26 176.28 2qn3 s ASP 128 N -1.31 6.58 -1.03 -0.19 1.11 -1.26 -4.59 116.67 115.99 2qn3 s ASP 128 Ca 0.49 2.80 -0.20 0.00 0.18 0.00 0.00 52.55 55.82 2qn3 s ASP 128 Cb -0.25 -2.64 0.09 0.00 1.07 0.00 0.00 42.92 41.18 2qn3 s ASP 128 CO 0.31 -0.71 1.37 0.00 1.18 0.00 0.00 175.17 177.32 2qn3 s ALA 129 N -0.67 3.08 -0.93 5.23 0.00 -0.62 -4.90 121.76 122.95 2qn3 s ALA 129 Ca 0.55 -2.57 -0.04 0.00 0.00 0.00 0.00 51.96 49.89 2qn3 s ALA 129 Cb -0.43 -4.35 0.13 0.00 0.00 0.00 0.00 23.12 18.47 2qn3 s ALA 129 CO 0.52 -3.32 2.46 0.41 0.00 0.00 0.00 175.76 175.83 2qn3 n GLY 130 N 6.09 5.00 1.92 0.00 0.00 -1.26 -2.18 105.19 114.75 2qn3 n GLY 130 Ca 0.32 -2.07 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 2qn3 n GLY 130 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qn3 n LEU 131 N 1.06 6.47 -3.77 0.99 4.77 -1.23 -0.96 117.00 124.32 2qn3 n LEU 131 Ca 0.55 -3.33 -0.07 0.00 -0.03 0.00 0.00 56.01 53.12 2qn3 n LEU 131 Cb 0.36 -1.07 -0.02 0.00 -2.33 0.00 0.00 43.42 40.37 2qn3 n LEU 131 CO 0.52 1.25 0.50 -0.83 -1.33 0.00 0.00 177.39 177.50 2qn3 s GLY 132 N 0.20 -0.19 -0.17 -0.72 0.00 -1.26 -0.87 107.32 104.31 2qn3 s GLY 132 Ca 0.32 -0.11 -0.07 0.00 0.00 0.00 0.00 44.72 44.87 2qn3 s GLY 132 CO -0.01 -0.03 0.18 0.70 0.00 0.00 0.00 173.10 173.93 2qn3 n ASN 133 N -0.44 2.06 0.00 1.64 3.02 -1.26 -4.52 115.26 115.75 2qn3 n ASN 133 Ca -0.06 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 2qn3 n ASN 133 Cb 0.60 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 2qn3 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qn3 n GLY 134 N 1.96 0.78 0.23 7.41 0.00 -1.26 -4.91 105.19 109.40 2qn3 n GLY 134 Ca -0.36 0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 2qn3 n GLY 134 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qn3 h GLY 135 N 0.00 0.83 0.94 -0.02 0.00 -1.98 -1.06 103.07 101.77 2qn3 h GLY 135 Ca 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 2qn3 h GLY 135 CO 0.00 0.19 0.15 -2.00 0.00 0.00 0.00 176.54 174.88 2qn3 h LEU 136 N 0.66 0.54 -0.58 3.11 6.46 -1.99 -0.47 115.31 123.04 2qn3 h LEU 136 Ca 0.24 -0.18 -0.13 0.00 -0.12 0.00 0.00 57.88 57.69 2qn3 h LEU 136 Cb 0.07 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 2qn3 h LEU 136 CO -0.12 0.57 -0.30 1.23 -0.62 0.00 0.00 178.44 179.20 2qn3 h GLY 137 N 0.48 0.88 1.82 3.75 0.00 -1.77 -2.91 103.07 105.31 2qn3 h GLY 137 Ca 0.13 -0.82 -0.14 0.00 0.00 0.00 0.00 47.33 46.50 2qn3 h GLY 137 CO -0.01 0.74 -0.58 -0.09 0.00 0.00 0.00 176.54 176.60 2qn3 h ARG 138 N 0.69 0.19 -0.51 4.80 9.65 -1.10 -1.12 114.38 126.98 2qn3 h ARG 138 Ca 0.08 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2qn3 h ARG 138 Cb 0.84 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.42 2qn3 h ARG 138 CO 0.07 0.72 0.32 1.25 2.80 0.00 0.00 179.97 185.13 2qn3 h LEU 139 N 0.14 0.59 -0.98 3.80 5.85 -1.00 -1.33 115.31 122.38 2qn3 h LEU 139 Ca -0.00 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.75 2qn3 h LEU 139 Cb 1.07 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2qn3 h LEU 139 CO 0.09 0.45 0.63 0.00 -0.34 0.00 0.00 178.44 179.27 2qn3 h ALA 140 N 1.17 1.38 -0.19 1.25 0.00 -1.42 -0.02 119.26 121.43 2qn3 h ALA 140 Ca 0.18 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2qn3 h ALA 140 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2qn3 h ALA 140 CO -0.04 0.39 -0.02 0.00 0.00 0.00 0.00 179.25 179.58 2qn3 h ALA 141 N 1.46 0.26 -0.90 0.00 0.00 -1.28 -1.66 119.26 117.14 2qn3 h ALA 141 Ca 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2qn3 h ALA 141 Cb 0.21 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2qn3 h ALA 141 CO -0.18 0.01 0.49 0.00 0.00 0.00 0.00 179.25 179.56 2qn3 h PHE 143 N 1.25 0.83 -0.83 0.00 -1.00 -0.85 -1.35 116.94 114.98 2qn3 h PHE 143 Ca 0.31 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 61.10 2qn3 h PHE 143 Cb 0.03 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 39.28 2qn3 h PHE 143 CO 0.01 0.54 0.52 -0.07 -1.61 0.00 0.00 178.31 177.70 2qn3 h LEU 144 N 0.87 0.99 -0.13 1.54 3.38 -1.07 0.42 115.31 121.31 2qn3 h LEU 144 Ca 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2qn3 h LEU 144 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 2qn3 h LEU 144 CO -0.05 0.75 0.06 -0.78 0.09 0.00 0.00 178.44 178.51 2qn3 h ASP 145 N 1.14 0.16 -0.62 -0.43 3.58 -1.16 -2.46 116.42 116.63 2qn3 h ASP 145 Ca 0.30 -0.12 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 2qn3 h ASP 145 Cb -0.08 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 40.91 2qn3 h ASP 145 CO -0.06 0.23 0.12 0.28 -2.88 0.00 0.00 179.24 176.93 2qn3 h SER 146 N 0.08 0.99 -0.78 2.28 0.02 -1.01 -1.53 113.55 113.60 2qn3 h SER 146 Ca 0.04 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 2qn3 h SER 146 Cb 0.11 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2qn3 h SER 146 CO -0.01 0.97 0.30 0.24 -1.14 0.00 0.00 176.83 177.19 2qn3 h MET 147 N 0.98 1.17 -0.47 3.45 2.86 -0.83 0.26 114.93 122.35 2qn3 h MET 147 Ca 0.20 -0.22 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 2qn3 h MET 147 Cb 0.40 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2qn3 h MET 147 CO 0.01 0.96 -0.17 0.00 1.06 0.00 0.00 176.91 178.77 2qn3 h ALA 148 N 1.18 0.66 -0.07 6.32 0.00 -1.33 -1.16 119.26 124.86 2qn3 h ALA 148 Ca 0.26 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 2qn3 h ALA 148 Cb 0.24 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qn3 h ALA 148 CO -0.02 0.60 -0.27 1.15 0.00 0.00 0.00 179.25 180.72 2qn3 h THR 149 N 0.79 1.22 -0.50 0.00 2.02 -0.98 -2.72 112.91 112.73 2qn3 h THR 149 Ca 0.11 -1.05 0.00 0.00 0.77 0.00 0.00 66.41 66.25 2qn3 h THR 149 Cb 0.73 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 2qn3 h THR 149 CO 0.06 0.31 0.00 0.18 0.37 0.00 0.00 175.52 176.44 2qn3 n LEU 150 N -4.18 3.32 -2.27 2.58 4.77 0.06 -4.72 117.00 116.55 2qn3 n LEU 150 Ca -0.02 -1.67 -0.19 0.00 -0.03 0.00 0.00 56.01 54.10 2qn3 n LEU 150 Cb 0.35 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2qn3 n LEU 150 CO 0.39 0.66 -0.22 0.61 -1.33 0.00 0.00 177.39 177.49 2qn3 n GLY 151 N 1.09 -0.43 3.81 -0.72 0.00 -1.03 -0.38 105.19 107.53 2qn3 n GLY 151 Ca 0.19 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 2qn3 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qn3 s LEU 152 N -5.64 4.45 -1.27 0.99 1.43 -0.47 -4.70 118.68 113.48 2qn3 s LEU 152 Ca 0.03 1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 54.31 2qn3 s LEU 152 Cb -0.01 -3.28 0.01 0.00 0.03 0.00 0.00 46.19 42.94 2qn3 s LEU 152 CO 0.03 0.15 1.91 0.00 0.23 0.00 0.00 176.35 178.67 2qn3 n ALA 153 N 1.20 3.69 -2.51 4.21 0.00 -1.26 -4.64 120.51 121.21 2qn3 n ALA 153 Ca -0.06 -3.66 -0.31 0.00 0.00 0.00 0.00 53.44 49.41 2qn3 n ALA 153 Cb 0.51 -3.57 -0.12 0.00 0.00 0.00 0.00 19.45 16.26 2qn3 n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qn3 s ALA 154 N 5.27 2.75 -0.06 0.00 0.00 -1.26 -1.41 121.76 127.05 2qn3 s ALA 154 Ca 0.55 -1.12 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2qn3 s ALA 154 Cb 0.07 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.31 2qn3 s ALA 154 CO 0.05 0.59 -0.09 0.71 0.00 0.00 0.00 175.76 177.02 2qn3 s TYR 155 N -0.94 1.23 -0.14 0.00 2.02 0.05 -4.06 117.35 115.51 2qn3 s TYR 155 Ca 0.15 -0.44 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 2qn3 s TYR 155 Cb -0.11 -0.95 -0.04 0.00 -0.40 0.00 0.00 41.96 40.46 2qn3 s TYR 155 CO 0.06 -0.26 0.42 0.20 -1.57 0.00 0.00 175.55 174.40 2qn3 s GLY 156 N 0.82 2.32 -0.11 0.71 0.00 -0.96 -0.94 107.32 109.17 2qn3 s GLY 156 Ca -0.12 -0.29 0.03 0.00 0.00 0.00 0.00 44.72 44.34 2qn3 s GLY 156 CO 0.02 0.69 -0.19 -0.19 0.00 0.00 0.00 173.10 173.43 2qn3 s TYR 157 N 0.65 2.21 0.00 1.90 2.02 -0.60 -0.01 117.35 123.52 2qn3 s TYR 157 Ca 0.23 -1.00 0.00 0.00 -0.37 0.00 0.00 57.07 55.93 2qn3 s TYR 157 Cb -0.14 -1.54 0.00 0.00 -0.40 0.00 0.00 41.96 39.88 2qn3 s TYR 157 CO 0.08 -0.46 0.00 0.41 -1.57 0.00 0.00 175.55 174.01 2qn3 n GLY 158 N 3.92 3.57 3.48 0.71 0.00 -0.94 -2.28 105.19 113.65 2qn3 n GLY 158 Ca -0.20 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2qn3 n GLY 158 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qn3 s ILE 159 N -2.29 3.25 -1.00 -0.61 1.01 -1.26 -1.28 121.20 119.01 2qn3 s ILE 159 Ca 0.00 -0.63 -0.20 0.00 0.00 0.00 0.00 60.65 59.82 2qn3 s ILE 159 Cb 0.00 -2.32 0.10 0.00 0.01 0.00 0.00 42.46 40.26 2qn3 s ILE 159 CO 0.00 0.57 1.29 -0.60 0.00 0.00 0.00 174.94 176.20 2qn3 s ARG 160 N -0.43 3.65 0.22 2.79 3.52 -0.18 -4.75 118.95 123.77 2qn3 s ARG 160 Ca 0.05 -1.62 -0.30 0.00 -0.13 0.00 0.00 55.73 53.74 2qn3 s ARG 160 Cb -0.12 -5.11 -0.09 0.00 -1.56 0.00 0.00 34.95 28.07 2qn3 s ARG 160 CO 0.02 -1.94 1.28 0.71 -0.81 0.00 0.00 175.30 174.55 2qn3 s TYR 161 N 3.45 3.28 0.27 5.12 2.02 -1.26 -4.76 117.35 125.47 2qn3 s TYR 161 Ca 0.39 1.32 0.03 0.00 -0.37 0.00 0.00 57.07 58.44 2qn3 s TYR 161 Cb -0.03 -3.56 0.37 0.00 -0.40 0.00 0.00 41.96 38.34 2qn3 s TYR 161 CO -0.08 -1.67 1.67 0.93 -1.57 0.00 0.00 175.55 174.83 2qn3 h GLU 162 N 4.95 0.40 -4.62 -0.62 5.08 -1.01 -3.42 114.58 115.33 2qn3 h GLU 162 Ca -0.45 -0.18 -0.60 0.00 -1.00 0.00 0.00 59.36 57.12 2qn3 h GLU 162 Cb 1.22 -0.01 -0.36 0.00 0.50 0.00 0.00 28.75 30.10 2qn3 h GLU 162 CO 0.74 0.72 -0.83 -0.06 -1.00 0.00 0.00 179.01 178.58 2qn3 s PHE 163 N -4.27 2.14 0.00 4.33 0.40 -0.12 -4.22 117.98 116.24 2qn3 s PHE 163 Ca -0.06 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 55.05 2qn3 s PHE 163 Cb 0.13 -1.57 0.00 0.00 0.51 0.00 0.00 43.02 42.09 2qn3 s PHE 163 CO 0.79 -0.67 0.00 0.41 0.70 0.00 0.00 175.22 176.46 2qn3 n GLY 164 N 4.78 0.44 3.70 4.36 0.00 -1.23 -1.74 105.19 115.51 2qn3 n GLY 164 Ca -0.16 -1.68 -0.44 0.00 0.00 0.00 0.00 46.02 43.74 2qn3 n GLY 164 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qn3 n ILE 165 N 0.00 0.61 -1.61 -0.61 0.13 -0.14 -4.56 119.36 113.18 2qn3 n ILE 165 Ca 0.00 -0.15 -0.39 0.00 -1.10 0.00 0.00 62.75 61.11 2qn3 n ILE 165 Cb 0.00 -1.71 0.03 0.00 -0.84 0.00 0.00 39.64 37.12 2qn3 n ILE 165 CO 0.00 0.00 0.00 2.22 2.80 0.00 0.00 176.55 181.57 2qn3 n PHE 166 N 2.64 0.95 -2.47 9.51 1.16 -1.26 -4.55 117.46 123.44 2qn3 n PHE 166 Ca 0.13 0.48 -0.42 0.00 -1.87 0.00 0.00 57.45 55.77 2qn3 n PHE 166 Cb 0.33 -2.18 -0.03 0.00 -1.61 0.00 0.00 39.48 35.99 2qn3 n PHE 166 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 2qn3 s ASN 167 N -0.99 7.17 -0.24 5.98 0.01 -0.32 -4.89 114.94 121.65 2qn3 s ASN 167 Ca 0.69 2.04 -0.13 0.00 -0.71 0.00 0.00 52.86 54.76 2qn3 s ASN 167 Cb -0.48 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.55 2qn3 s ASN 167 CO 0.52 -0.35 0.28 -1.58 -1.51 0.00 0.00 177.10 174.46 2qn3 s GLN 168 N 0.38 4.06 -0.01 -0.60 0.74 -1.26 -1.43 119.66 121.53 2qn3 s GLN 168 Ca 0.54 -0.08 0.03 0.00 0.05 0.00 0.00 55.36 55.89 2qn3 s GLN 168 Cb -0.29 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.20 2qn3 s GLN 168 CO 0.32 -0.09 -0.07 0.15 -0.55 0.00 0.00 175.29 175.05 2qn3 s LYS 169 N 1.48 2.58 -0.30 1.67 -0.14 -0.37 -3.89 119.74 120.77 2qn3 s LYS 169 Ca 0.12 -0.69 -0.08 0.00 -1.36 0.00 0.00 55.97 53.96 2qn3 s LYS 169 Cb -0.15 -2.51 -0.00 0.00 -1.68 0.00 0.00 37.83 33.49 2qn3 s LYS 169 CO 0.08 0.61 0.12 0.42 -0.76 0.00 0.00 175.35 175.82 2qn3 s ILE 170 N -0.95 4.33 -0.19 2.17 -1.09 -1.26 0.51 121.20 124.71 2qn3 s ILE 170 Ca 0.16 -0.53 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 2qn3 s ILE 170 Cb -0.11 -3.21 0.04 0.00 -1.58 0.00 0.00 42.46 37.60 2qn3 s ILE 170 CO 0.06 0.08 -0.10 0.00 -1.23 0.00 0.00 174.94 173.75 2qn3 n GLY 172 N 4.71 -0.47 2.56 0.00 0.00 -1.26 -1.89 105.19 108.84 2qn3 n GLY 172 Ca -0.14 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2qn3 n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qn3 n GLY 173 N -1.20 1.20 3.80 -0.02 0.00 -1.26 -5.04 105.19 102.67 2qn3 n GLY 173 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2qn3 n GLY 173 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qn3 s TRP 174 N -3.56 3.33 0.09 1.61 0.52 -0.79 -3.68 118.94 116.46 2qn3 s TRP 174 Ca 0.00 0.25 -0.31 0.00 0.02 0.00 0.00 56.10 56.06 2qn3 s TRP 174 Cb 0.00 -1.77 -0.08 0.00 -1.15 0.00 0.00 33.47 30.48 2qn3 s TRP 174 CO 0.00 0.57 1.41 -1.14 0.02 0.00 0.00 176.95 177.81 2qn3 s GLN 175 N -1.63 4.31 0.01 4.98 0.74 -1.26 -0.59 119.66 126.21 2qn3 s GLN 175 Ca 0.22 2.07 0.06 0.00 0.05 0.00 0.00 55.36 57.76 2qn3 s GLN 175 Cb -0.12 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 2qn3 s GLN 175 CO 0.13 -0.48 -0.18 -1.64 -0.55 0.00 0.00 175.29 172.57 2qn3 s MET 176 N 1.40 2.20 -0.15 1.67 -1.94 0.18 -4.92 119.30 117.74 2qn3 s MET 176 Ca 0.65 -0.90 -0.06 0.00 -1.71 0.00 0.00 55.69 53.67 2qn3 s MET 176 Cb -0.36 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.22 2qn3 s MET 176 CO 0.30 0.57 0.05 -1.21 -0.01 0.00 0.00 175.02 174.72 2qn3 s GLU 177 N -1.16 3.70 0.08 2.03 8.01 -1.26 -1.24 118.70 128.86 2qn3 s GLU 177 Ca 0.13 -0.34 0.06 0.00 0.01 0.00 0.00 54.97 54.84 2qn3 s GLU 177 Cb -0.10 -3.11 -0.03 0.00 -4.31 0.00 0.00 34.13 26.57 2qn3 s GLU 177 CO 0.03 0.42 -0.17 -1.83 0.01 0.00 0.00 175.26 173.73 2qn3 s GLU 178 N -0.06 0.94 0.25 1.61 -1.05 -0.52 -4.99 118.70 114.88 2qn3 s GLU 178 Ca 0.06 -1.01 -0.31 0.00 -0.15 0.00 0.00 54.97 53.56 2qn3 s GLU 178 Cb -0.12 -1.04 -0.12 0.00 -0.44 0.00 0.00 34.13 32.40 2qn3 s GLU 178 CO 0.01 0.24 1.57 0.00 0.95 0.00 0.00 175.26 178.03 2qn3 n ALA 179 N 1.27 2.05 -2.95 -0.84 0.00 -1.26 -1.17 120.51 117.61 2qn3 n ALA 179 Ca -0.20 0.40 -0.44 0.00 0.00 0.00 0.00 53.44 53.19 2qn3 n ALA 179 Cb 0.54 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 2qn3 n ALA 179 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qn3 s ASP 180 N 0.62 6.97 -1.51 0.00 3.68 -1.26 -4.67 116.67 120.50 2qn3 s ASP 180 Ca 0.69 -2.79 -0.11 0.00 2.13 0.00 0.00 52.55 52.47 2qn3 s ASP 180 Cb -0.56 -2.39 -0.01 0.00 -1.45 0.00 0.00 42.92 38.51 2qn3 s ASP 180 CO 0.44 -0.81 2.59 -0.67 0.13 0.00 0.00 175.17 176.85 2qn3 n ASP 181 N 5.77 6.86 0.19 -0.34 2.03 -1.26 -3.47 116.55 126.33 2qn3 n ASP 181 Ca 0.33 -2.76 0.14 0.00 0.52 0.00 0.00 54.79 53.02 2qn3 n ASP 181 Cb 0.44 -1.56 0.58 0.00 -0.72 0.00 0.00 41.12 39.86 2qn3 n ASP 181 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 2qn3 h TRP 182 N 5.33 0.00 -0.13 -0.67 5.08 -1.92 -2.70 115.95 120.95 2qn3 h TRP 182 Ca 0.72 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.69 2qn3 h TRP 182 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 2qn3 h TRP 182 CO 1.67 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 180.11 2qn3 n LEU 183 N -2.54 2.61 -0.24 0.11 4.77 -1.26 -4.62 117.00 115.83 2qn3 n LEU 183 Ca 0.01 -0.96 0.04 0.00 -0.03 0.00 0.00 56.01 55.07 2qn3 n LEU 183 Cb 0.25 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2qn3 n LEU 183 CO 0.22 0.48 0.87 -0.09 -1.33 0.00 0.00 177.39 177.54 2qn3 h ARG 184 N 3.83 0.17 -0.09 3.23 2.43 -1.86 -0.40 114.38 121.68 2qn3 h ARG 184 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2qn3 h ARG 184 Cb 0.82 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 2qn3 h ARG 184 CO 0.00 0.11 0.00 0.66 -1.51 0.00 0.00 179.97 179.23 2qn3 n TYR 185 N -5.25 0.09 0.00 2.20 4.01 -1.26 -5.05 117.16 111.90 2qn3 n TYR 185 Ca 0.12 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2qn3 n TYR 185 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.46 2qn3 n TYR 185 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qn3 n GLY 186 N 1.25 1.55 2.98 2.72 0.00 -0.16 -4.99 105.19 108.54 2qn3 n GLY 186 Ca 0.17 -1.84 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 2qn3 n GLY 186 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qn3 s ASN 187 N -0.57 4.33 0.27 1.61 2.47 -1.26 -4.88 114.94 116.91 2qn3 s ASN 187 Ca 0.00 -1.59 0.25 0.00 0.42 0.00 0.00 52.86 51.93 2qn3 s ASN 187 Cb 0.00 -1.39 0.97 0.00 -1.45 0.00 0.00 41.25 39.38 2qn3 s ASN 187 CO 0.00 -0.29 1.74 1.55 -3.72 0.00 0.00 177.10 176.39 2qn3 h PRO 188 N 7.81 0.00 0.00 0.43 0.13 -1.99 -3.23 132.00 135.15 2qn3 h PRO 188 Ca -0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.75 2qn3 h PRO 188 Cb 1.04 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 2qn3 h PRO 188 CO 0.47 0.00 -1.33 -1.49 -0.23 0.00 0.00 178.00 175.41 2qn3 h TRP 189 N 0.00 0.00 -3.86 1.56 4.06 -1.95 -3.47 115.95 112.28 2qn3 h TRP 189 Ca 0.00 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.47 2qn3 h TRP 189 Cb 0.45 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.61 2qn3 h TRP 189 CO 0.00 0.97 0.20 -1.83 -3.56 0.00 0.00 178.44 174.21 2qn3 s GLU 190 N -2.67 3.91 -0.16 0.49 -1.05 -1.22 -4.36 118.70 113.64 2qn3 s GLU 190 Ca -0.02 0.69 -0.01 0.00 -0.15 0.00 0.00 54.97 55.49 2qn3 s GLU 190 Cb 0.09 -2.31 0.04 0.00 -0.44 0.00 0.00 34.13 31.51 2qn3 s GLU 190 CO 0.82 -0.06 -0.04 0.21 0.95 0.00 0.00 175.26 177.14 2qn3 s LYS 191 N -3.67 1.28 0.32 -4.83 2.47 0.49 -4.94 119.74 110.86 2qn3 s LYS 191 Ca 0.55 -0.46 -0.29 0.00 -1.56 0.00 0.00 55.97 54.21 2qn3 s LYS 191 Cb -0.10 -1.93 -0.11 0.00 -1.46 0.00 0.00 37.83 34.23 2qn3 s LYS 191 CO 0.27 -0.44 1.44 0.00 0.16 0.00 0.00 175.35 176.77 2qn3 s ALA 192 N 1.68 3.59 -0.53 3.13 0.00 -1.26 -0.79 121.76 127.57 2qn3 s ALA 192 Ca 0.01 1.43 0.07 0.00 0.00 0.00 0.00 51.96 53.46 2qn3 s ALA 192 Cb -0.15 -3.56 0.32 0.00 0.00 0.00 0.00 23.12 19.73 2qn3 s ALA 192 CO -0.07 -0.85 0.85 0.54 0.00 0.00 0.00 175.76 176.22 2qn3 n ARG 193 N 1.20 2.52 0.19 0.00 5.12 0.03 -4.92 116.66 120.80 2qn3 n ARG 193 Ca 0.03 -4.43 0.12 0.00 -1.93 0.00 0.00 57.85 51.64 2qn3 n ARG 193 Cb 0.40 -2.07 0.65 0.00 -1.16 0.00 0.00 32.46 30.27 2qn3 n ARG 193 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 2qn3 h PRO 194 N 3.23 0.00 0.00 5.56 0.13 -1.94 0.25 132.00 139.23 2qn3 h PRO 194 Ca 0.13 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2qn3 h PRO 194 Cb 0.65 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 2qn3 h PRO 194 CO 0.74 0.00 -0.01 1.05 -0.23 0.00 0.00 178.00 179.55 2qn3 h GLU 195 N 0.00 0.00 -0.53 0.86 9.09 -1.95 -2.95 114.58 119.10 2qn3 h GLU 195 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 2qn3 h GLU 195 Cb 0.08 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.10 2qn3 h GLU 195 CO 0.00 0.01 0.12 1.19 0.05 0.00 0.00 179.01 180.38 2qn3 n PHE 196 N -3.11 1.80 -1.90 2.06 3.72 0.08 -5.00 117.46 115.11 2qn3 n PHE 196 Ca 0.01 -1.13 -0.41 0.00 -0.05 0.00 0.00 57.45 55.86 2qn3 n PHE 196 Cb 0.31 -0.54 -0.02 0.00 -0.94 0.00 0.00 39.48 38.29 2qn3 n PHE 196 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2qn3 s THR 197 N -2.97 2.35 0.03 4.37 2.01 -1.12 -4.65 115.64 115.66 2qn3 s THR 197 Ca 0.50 0.31 0.04 0.00 0.31 0.00 0.00 61.69 62.85 2qn3 s THR 197 Cb 0.41 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.70 2qn3 s THR 197 CO 0.10 0.06 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.20 2qn3 s LEU 198 N -0.87 2.15 0.20 4.42 1.02 -0.50 -4.94 118.68 120.14 2qn3 s LEU 198 Ca 0.58 -0.41 -0.25 0.00 0.02 0.00 0.00 54.13 54.07 2qn3 s LEU 198 Cb -0.45 -0.57 -0.08 0.00 0.02 0.00 0.00 46.19 45.11 2qn3 s LEU 198 CO 0.49 0.04 0.80 -2.16 0.02 0.00 0.00 176.35 175.55 2qn3 s PRO 199 N -0.98 4.55 -0.05 1.29 0.04 -1.26 0.26 135.00 138.84 2qn3 s PRO 199 Ca 0.01 1.16 0.06 0.00 0.04 0.00 0.00 61.00 62.27 2qn3 s PRO 199 Cb -0.07 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.30 2qn3 s PRO 199 CO 0.01 0.51 -0.23 0.08 0.04 0.00 0.00 177.00 177.41 2qn3 s VAL 200 N -1.26 1.89 -0.05 -0.36 1.01 0.82 -4.86 120.40 117.59 2qn3 s VAL 200 Ca 0.39 -0.98 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2qn3 s VAL 200 Cb -0.22 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 2qn3 s VAL 200 CO 0.26 0.53 0.05 -1.00 0.00 0.00 0.00 175.10 174.94 2qn3 s HIS 201 N -0.18 3.26 0.07 5.22 3.76 -1.26 -0.90 115.29 125.27 2qn3 s HIS 201 Ca -0.02 0.24 0.01 0.00 -0.15 0.00 0.00 55.06 55.14 2qn3 s HIS 201 Cb -0.13 -1.78 -0.03 0.00 1.11 0.00 0.00 32.58 31.75 2qn3 s HIS 201 CO 0.03 0.54 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.34 2qn3 s PHE 202 N -1.04 0.70 0.00 1.40 0.40 0.14 -4.97 117.98 114.62 2qn3 s PHE 202 Ca 0.17 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 2qn3 s PHE 202 Cb -0.12 -0.43 0.00 0.00 0.51 0.00 0.00 43.02 42.98 2qn3 s PHE 202 CO 0.07 -0.18 0.00 0.66 0.70 0.00 0.00 175.22 176.47 2qn3 n TYR 203 N 0.53 0.00 -4.17 0.36 4.01 0.29 -0.75 117.16 117.44 2qn3 n TYR 203 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2qn3 n TYR 203 Cb 0.59 0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 2qn3 n TYR 203 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qn3 n GLY 204 N 0.00 -0.81 3.41 2.72 0.00 -1.24 -4.58 105.19 104.69 2qn3 n GLY 204 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 2qn3 n GLY 204 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2qn3 s ARG 205 N 0.00 1.22 -0.20 1.61 1.70 -0.45 -4.87 118.95 117.97 2qn3 s ARG 205 Ca 0.00 -0.86 -0.09 0.00 -0.47 0.00 0.00 55.73 54.31 2qn3 s ARG 205 Cb 0.00 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 2qn3 s ARG 205 CO 0.00 -0.49 0.11 0.08 -1.08 0.00 0.00 175.30 173.92 2qn3 s VAL 206 N -3.86 5.19 -0.09 4.99 1.01 -1.26 -1.30 120.40 125.07 2qn3 s VAL 206 Ca 0.08 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.19 2qn3 s VAL 206 Cb 0.01 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2qn3 s VAL 206 CO -0.06 0.44 -0.14 -0.70 0.00 0.00 0.00 175.10 174.64 2qn3 s GLU 207 N 0.42 2.95 -0.26 2.72 2.12 0.99 -4.95 118.70 122.70 2qn3 s GLU 207 Ca 0.06 -0.69 -0.09 0.00 0.36 0.00 0.00 54.97 54.62 2qn3 s GLU 207 Cb -0.12 -2.51 -0.04 0.00 0.26 0.00 0.00 34.13 31.73 2qn3 s GLU 207 CO -0.01 0.42 0.12 -1.01 -0.54 0.00 0.00 175.26 174.23 2qn3 s HIS 208 N -0.18 3.14 0.46 5.30 3.76 -1.26 0.18 115.29 126.69 2qn3 s HIS 208 Ca -0.00 -0.21 0.04 0.00 -0.15 0.00 0.00 55.06 54.75 2qn3 s HIS 208 Cb -0.13 -2.29 0.04 0.00 1.11 0.00 0.00 32.58 31.31 2qn3 s HIS 208 CO 0.03 -0.28 0.36 0.25 -0.85 0.00 0.00 174.74 174.26 2qn3 n THR 209 N 4.96 0.00 0.14 1.30 -2.24 -0.37 -5.01 114.28 113.06 2qn3 n THR 209 Ca -0.15 -1.83 0.03 0.00 -2.27 0.00 0.00 64.05 59.82 2qn3 n THR 209 Cb 0.52 -0.12 0.41 0.00 -2.10 0.00 0.00 70.33 69.03 2qn3 n THR 209 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qn3 h SER 210 N 0.53 0.17 -0.96 3.42 0.02 -2.02 -3.04 113.55 111.66 2qn3 h SER 210 Ca -0.29 -0.03 -0.63 0.00 -0.84 0.00 0.00 61.79 59.99 2qn3 h SER 210 Cb 1.07 -0.04 -0.28 0.00 0.14 0.00 0.00 62.40 63.29 2qn3 h SER 210 CO 0.45 0.35 0.82 1.67 -1.14 0.00 0.00 176.83 178.98 2qn3 n GLN 211 N -4.27 2.57 0.00 3.45 -0.06 -1.26 -5.04 117.38 112.77 2qn3 n GLN 211 Ca -0.01 -3.13 0.00 0.00 -2.00 0.00 0.00 57.00 51.86 2qn3 n GLN 211 Cb 0.28 -2.23 0.00 0.00 -4.06 0.00 0.00 30.24 24.23 2qn3 n GLN 211 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qn3 n GLY 212 N -0.85 -1.85 3.82 1.69 0.00 -1.15 -4.97 105.19 101.88 2qn3 n GLY 212 Ca 0.60 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.62 2qn3 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qn3 s ALA 213 N -1.42 3.17 -0.04 4.61 0.00 -1.26 -1.24 121.76 125.58 2qn3 s ALA 213 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.27 2qn3 s ALA 213 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 23.12 20.12 2qn3 s ALA 213 CO 0.00 0.21 -0.07 0.15 0.00 0.00 0.00 175.76 176.05 2qn3 s LYS 214 N -2.91 0.90 -0.40 0.00 1.02 0.13 -4.90 119.74 113.57 2qn3 s LYS 214 Ca 0.57 -0.20 -0.16 0.00 0.02 0.00 0.00 55.97 56.20 2qn3 s LYS 214 Cb -0.11 -0.85 0.01 0.00 -0.52 0.00 0.00 37.83 36.36 2qn3 s LYS 214 CO 0.16 0.01 0.40 -0.46 -0.92 0.00 0.00 175.35 174.53 2qn3 s TRP 215 N 0.57 3.19 0.30 3.18 -0.00 -1.26 -0.01 118.94 124.91 2qn3 s TRP 215 Ca -0.08 -0.30 0.04 0.00 -0.00 0.00 0.00 56.10 55.76 2qn3 s TRP 215 Cb -0.12 -2.79 -0.06 0.00 -0.00 0.00 0.00 33.47 30.50 2qn3 s TRP 215 CO 0.01 -0.61 0.02 0.14 -0.00 0.00 0.00 176.95 176.51 2qn3 s VAL 216 N 2.05 1.28 -1.51 5.86 -7.23 -0.42 -4.83 120.40 115.60 2qn3 s VAL 216 Ca 0.11 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2qn3 s VAL 216 Cb -0.17 -2.63 0.01 0.00 0.56 0.00 0.00 36.38 34.14 2qn3 s VAL 216 CO 0.13 -0.13 0.75 0.47 -0.31 0.00 0.00 175.10 176.00 2qn3 n ASP 217 N -0.62 -6.22 -4.88 4.85 9.92 -1.26 -1.33 116.55 117.00 2qn3 n ASP 217 Ca -0.04 -0.35 -0.29 0.00 -0.53 0.00 0.00 54.79 53.58 2qn3 n ASP 217 Cb 0.65 -4.99 -0.02 0.00 -0.64 0.00 0.00 41.12 36.13 2qn3 n ASP 217 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2qn3 s THR 218 N -3.22 4.81 0.02 -3.53 -4.23 -1.26 -3.65 115.64 104.58 2qn3 s THR 218 Ca 0.37 0.53 -0.17 0.00 -1.18 0.00 0.00 61.69 61.24 2qn3 s THR 218 Cb -0.16 -3.80 -0.06 0.00 1.34 0.00 0.00 72.50 69.82 2qn3 s THR 218 CO 0.46 -0.73 0.49 -1.10 -0.54 0.00 0.00 174.62 173.20 2qn3 s GLN 219 N -4.35 4.09 -0.14 3.99 -0.21 0.07 -4.91 119.66 118.20 2qn3 s GLN 219 Ca 0.51 0.58 -0.03 0.00 0.02 0.00 0.00 55.36 56.43 2qn3 s GLN 219 Cb -0.10 -3.25 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 2qn3 s GLN 219 CO 0.39 0.61 -0.03 0.08 -2.12 0.00 0.00 175.29 174.22 2qn3 s VAL 220 N -0.92 3.94 -0.04 1.09 1.01 -1.26 -0.68 120.40 123.54 2qn3 s VAL 220 Ca 0.27 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 61.97 2qn3 s VAL 220 Cb -0.18 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 2qn3 s VAL 220 CO 0.16 0.51 -0.25 -0.69 0.00 0.00 0.00 175.10 174.82 2qn3 s VAL 221 N 0.16 2.04 0.15 2.92 1.01 -0.08 -4.53 120.40 122.07 2qn3 s VAL 221 Ca -0.01 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.69 2qn3 s VAL 221 Cb -0.14 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.47 2qn3 s VAL 221 CO 0.03 0.57 0.65 -0.76 0.00 0.00 0.00 175.10 175.58 2qn3 s LEU 222 N -0.41 4.43 -0.32 3.92 1.43 0.85 -0.13 118.68 128.45 2qn3 s LEU 222 Ca 0.04 1.33 -0.05 0.00 -1.03 0.00 0.00 54.13 54.42 2qn3 s LEU 222 Cb -0.12 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.88 2qn3 s LEU 222 CO 0.01 0.15 0.07 0.00 0.23 0.00 0.00 176.35 176.81 2qn3 s ALA 223 N -1.33 2.98 -0.24 4.21 0.00 0.14 -0.81 121.76 126.71 2qn3 s ALA 223 Ca 0.37 -1.69 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 2qn3 s ALA 223 Cb -0.18 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 2qn3 s ALA 223 CO 0.21 -1.24 0.11 1.41 0.00 0.00 0.00 175.76 176.25 2qn3 s MET 224 N 1.38 3.88 0.25 0.00 1.75 0.35 -1.41 119.30 125.49 2qn3 s MET 224 Ca -0.02 -0.37 -0.24 0.00 -1.25 0.00 0.00 55.69 53.82 2qn3 s MET 224 Cb -0.19 -3.42 -0.09 0.00 2.84 0.00 0.00 34.83 33.97 2qn3 s MET 224 CO 0.01 -0.04 0.82 -1.25 -0.65 0.00 0.00 175.02 173.92 2qn3 s PRO 225 N 1.27 4.47 -0.12 4.11 0.04 -1.26 -0.51 135.00 142.99 2qn3 s PRO 225 Ca 0.06 1.12 0.03 0.00 0.04 0.00 0.00 61.00 62.25 2qn3 s PRO 225 Cb -0.14 -2.95 0.01 0.00 0.04 0.00 0.00 34.50 31.45 2qn3 s PRO 225 CO 0.05 0.40 -0.21 0.71 0.04 0.00 0.00 177.00 177.99 2qn3 s TYR 226 N -1.46 2.45 -0.16 0.56 1.51 0.04 -0.79 117.35 119.50 2qn3 s TYR 226 Ca 0.44 -1.17 -0.08 0.00 -1.01 0.00 0.00 57.07 55.25 2qn3 s TYR 226 Cb -0.19 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.93 2qn3 s TYR 226 CO 0.24 -0.53 0.10 -0.51 -1.11 0.00 0.00 175.55 173.73 2qn3 s ASP 227 N 0.76 6.01 -0.09 2.29 -0.00 0.03 -1.32 116.67 124.34 2qn3 s ASP 227 Ca -0.10 0.25 0.04 0.00 -0.00 0.00 0.00 52.55 52.74 2qn3 s ASP 227 Cb -0.16 -1.99 -0.00 0.00 -0.00 0.00 0.00 42.92 40.77 2qn3 s ASP 227 CO 0.00 0.26 -0.23 -0.89 -0.00 0.00 0.00 175.17 174.31 2qn3 s THR 228 N -0.14 1.97 0.36 -1.27 2.01 -0.14 -0.38 115.64 118.05 2qn3 s THR 228 Ca 0.09 -0.97 -0.26 0.00 0.31 0.00 0.00 61.69 60.85 2qn3 s THR 228 Cb -0.12 -1.70 -0.09 0.00 0.01 0.00 0.00 72.50 70.61 2qn3 s THR 228 CO 0.01 0.54 1.11 -2.16 -0.69 0.00 0.00 174.62 173.43 2qn3 s PRO 229 N 0.29 4.30 -0.37 4.92 0.04 -1.26 -1.10 135.00 141.82 2qn3 s PRO 229 Ca -0.16 1.73 0.03 0.00 0.04 0.00 0.00 61.00 62.64 2qn3 s PRO 229 Cb -0.17 -2.81 0.11 0.00 0.04 0.00 0.00 34.50 31.66 2qn3 s PRO 229 CO 0.08 -0.08 0.10 0.08 0.04 0.00 0.00 177.00 177.21 2qn3 s VAL 230 N -1.40 2.12 0.17 -0.36 1.01 0.68 -4.87 120.40 117.75 2qn3 s VAL 230 Ca 0.53 -2.39 -0.30 0.00 0.00 0.00 0.00 61.98 59.82 2qn3 s VAL 230 Cb -0.28 -2.55 -0.07 0.00 0.00 0.00 0.00 36.38 33.47 2qn3 s VAL 230 CO 0.36 -0.65 1.02 -2.16 0.00 0.00 0.00 175.10 173.67 2qn3 s PRO 231 N 0.78 4.68 0.72 2.72 0.04 -1.26 -1.19 135.00 141.50 2qn3 s PRO 231 Ca 0.12 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 2qn3 s PRO 231 Cb -0.20 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.05 2qn3 s PRO 231 CO -0.09 0.22 1.08 0.20 0.04 0.00 0.00 177.00 178.45 2qn3 s GLY 232 N -0.30 1.64 -0.67 0.56 0.00 0.41 -4.77 107.32 104.19 2qn3 s GLY 232 Ca 0.47 -0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.74 2qn3 s GLY 232 CO 0.33 0.19 1.51 -0.47 0.00 0.00 0.00 173.10 174.65 2qn3 s TYR 233 N -3.20 2.06 -1.27 1.90 6.14 -1.26 -4.18 117.35 117.53 2qn3 s TYR 233 Ca 0.59 0.31 -0.02 0.00 0.64 0.00 0.00 57.07 58.59 2qn3 s TYR 233 Cb -0.13 -4.41 0.01 0.00 0.42 0.00 0.00 41.96 37.86 2qn3 s TYR 233 CO 0.54 -2.15 0.13 0.54 0.64 0.00 0.00 175.55 175.24 2qn3 n ARG 234 N 9.22 -2.54 -0.03 4.97 1.74 0.26 -4.82 116.66 125.46 2qn3 n ARG 234 Ca 0.10 0.69 0.02 0.00 -0.77 0.00 0.00 57.85 57.89 2qn3 n ARG 234 Cb 0.50 -5.34 0.04 0.00 -1.02 0.00 0.00 32.46 26.63 2qn3 n ARG 234 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2qn3 n ASN 235 N -1.98 1.83 -0.60 0.55 2.04 -1.26 -4.96 115.26 110.89 2qn3 n ASN 235 Ca -0.15 -1.59 -0.08 0.00 -0.44 0.00 0.00 54.58 52.33 2qn3 n ASN 235 Cb 0.62 -0.04 -0.03 0.00 -2.53 0.00 0.00 39.78 37.79 2qn3 n ASN 235 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 2qn3 n ASN 236 N 0.04 -5.30 -4.73 0.53 3.02 -1.26 -1.47 115.26 106.08 2qn3 n ASN 236 Ca 0.03 0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 54.39 2qn3 n ASN 236 Cb 0.21 -3.49 -0.05 0.00 -0.61 0.00 0.00 39.78 35.83 2qn3 n ASN 236 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2qn3 s VAL 237 N -1.83 5.06 -0.23 2.41 1.01 -1.26 -4.80 120.40 120.76 2qn3 s VAL 237 Ca 0.00 1.22 -0.01 0.00 0.00 0.00 0.00 61.98 63.18 2qn3 s VAL 237 Cb 0.00 -3.93 0.07 0.00 0.00 0.00 0.00 36.38 32.52 2qn3 s VAL 237 CO 0.00 0.33 0.02 -0.69 0.00 0.00 0.00 175.10 174.75 2qn3 s VAL 238 N 0.46 0.91 0.75 2.92 1.01 -1.26 -0.45 120.40 124.73 2qn3 s VAL 238 Ca 0.32 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 2qn3 s VAL 238 Cb -0.17 -1.38 0.15 0.00 0.00 0.00 0.00 36.38 34.98 2qn3 s VAL 238 CO 0.15 -0.25 1.02 0.59 0.00 0.00 0.00 175.10 176.61 2qn3 n ASN 239 N 4.89 1.19 -4.20 3.32 3.02 -0.33 -4.65 115.26 118.51 2qn3 n ASN 239 Ca -0.09 -2.05 -0.29 0.00 -0.03 0.00 0.00 54.58 52.12 2qn3 n ASN 239 Cb 0.45 -0.68 -0.16 0.00 -0.61 0.00 0.00 39.78 38.78 2qn3 n ASN 239 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qn3 s THR 240 N -3.14 1.75 -0.28 3.41 2.01 -1.26 -0.23 115.64 117.91 2qn3 s THR 240 Ca 0.66 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.69 2qn3 s THR 240 Cb -0.04 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.97 2qn3 s THR 240 CO 0.44 0.49 0.09 -0.32 -0.69 0.00 0.00 174.62 174.64 2qn3 s MET 241 N -0.03 3.42 -0.29 4.92 1.75 -0.25 -2.26 119.30 126.56 2qn3 s MET 241 Ca -0.05 -0.64 -0.08 0.00 -1.25 0.00 0.00 55.69 53.67 2qn3 s MET 241 Cb -0.13 -3.40 -0.00 0.00 2.84 0.00 0.00 34.83 34.14 2qn3 s MET 241 CO 0.03 -0.32 0.09 0.50 -0.65 0.00 0.00 175.02 174.68 2qn3 s ARG 242 N 1.58 3.26 -0.12 4.11 3.52 0.99 -0.96 118.95 131.33 2qn3 s ARG 242 Ca 0.05 -0.75 -0.00 0.00 -0.13 0.00 0.00 55.73 54.89 2qn3 s ARG 242 Cb -0.16 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.80 2qn3 s ARG 242 CO 0.04 -0.39 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.53 2qn3 s LEU 243 N 1.55 2.89 0.05 -0.88 1.43 -0.44 -2.22 118.68 121.06 2qn3 s LEU 243 Ca 0.04 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.72 2qn3 s LEU 243 Cb -0.17 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 2qn3 s LEU 243 CO 0.03 0.21 0.54 0.26 0.23 0.00 0.00 176.35 177.63 2qn3 s TRP 244 N 0.07 3.78 -0.03 0.29 0.52 -0.41 -0.78 118.94 122.38 2qn3 s TRP 244 Ca -0.04 1.21 0.07 0.00 0.02 0.00 0.00 56.10 57.36 2qn3 s TRP 244 Cb -0.14 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.69 2qn3 s TRP 244 CO 0.04 0.57 -0.24 0.45 0.02 0.00 0.00 176.95 177.79 2qn3 s SER 245 N -1.00 3.19 0.02 2.95 0.15 0.33 -1.01 113.70 118.32 2qn3 s SER 245 Ca 0.28 -0.44 -0.25 0.00 0.70 0.00 0.00 55.95 56.24 2qn3 s SER 245 Cb -0.19 -0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 63.53 2qn3 s SER 245 CO 0.18 0.30 0.76 0.00 1.20 0.00 0.00 173.24 175.68 2qn3 s ALA 246 N -0.51 3.35 -0.02 5.45 0.00 -1.26 -0.49 121.76 128.28 2qn3 s ALA 246 Ca 0.07 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.30 2qn3 s ALA 246 Cb -0.11 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2qn3 s ALA 246 CO 0.00 0.01 -0.05 0.15 0.00 0.00 0.00 175.76 175.88 2qn3 s LYS 247 N 0.21 0.54 0.32 0.00 -0.14 0.01 -4.67 119.74 116.01 2qn3 s LYS 247 Ca 0.39 -0.14 -0.28 0.00 -1.36 0.00 0.00 55.97 54.59 2qn3 s LYS 247 Cb -0.20 -0.55 -0.09 0.00 -1.68 0.00 0.00 37.83 35.31 2qn3 s LYS 247 CO 0.22 0.03 1.09 0.00 -0.76 0.00 0.00 175.35 175.94 2qn3 s ALA 248 N 0.30 3.30 0.76 5.17 0.00 -1.26 -0.11 121.76 129.92 2qn3 s ALA 248 Ca -0.03 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 2qn3 s ALA 248 Cb -0.07 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.79 2qn3 s ALA 248 CO -0.00 -0.21 1.12 -1.25 0.00 0.00 0.00 175.76 175.42 2qn3 s PRO 249 N -1.81 2.15 0.47 0.00 0.04 -1.26 -4.86 135.00 129.74 2qn3 s PRO 249 Ca 0.49 1.36 0.27 0.00 0.04 0.00 0.00 61.00 63.16 2qn3 s PRO 249 Cb -0.29 -1.87 1.04 0.00 0.04 0.00 0.00 34.50 33.41 2qn3 s PRO 249 CO 0.37 -1.75 1.87 -0.91 0.04 0.00 0.00 177.00 176.62 2qn3 h ASN 250 N -0.87 0.00 -0.44 6.66 2.35 -2.00 -2.09 115.58 119.19 2qn3 h ASN 250 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 2qn3 h ASN 250 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2qn3 h ASN 250 CO 0.50 0.15 0.00 -0.90 -1.65 0.00 0.00 177.43 175.53 2qn3 n ASP 251 N -3.29 3.32 -4.68 5.81 5.68 -1.26 -4.89 116.55 117.23 2qn3 n ASP 251 Ca 0.00 -2.28 -0.43 0.00 -0.50 0.00 0.00 54.79 51.58 2qn3 n ASP 251 Cb 0.39 -0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 39.88 2qn3 n ASP 251 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 2qn3 n PHE 252 N 0.69 2.59 -1.07 2.11 7.35 -0.79 -0.57 117.46 127.78 2qn3 n PHE 252 Ca 0.17 -0.19 -0.02 0.00 -0.76 0.00 0.00 57.45 56.65 2qn3 n PHE 252 Cb 0.63 -2.74 -0.01 0.00 0.35 0.00 0.00 39.48 37.71 2qn3 n PHE 252 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2qn3 n ASN 253 N 6.01 -5.94 -4.16 -2.13 4.13 -1.26 -4.77 115.26 107.14 2qn3 n ASN 253 Ca 0.19 0.06 -0.24 0.00 1.68 0.00 0.00 54.58 56.26 2qn3 n ASN 253 Cb 0.38 -3.64 -0.15 0.00 -1.54 0.00 0.00 39.78 34.82 2qn3 n ASN 253 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2qn3 s LEU 254 N -0.53 2.05 0.25 3.41 1.43 0.27 -4.85 118.68 120.70 2qn3 s LEU 254 Ca 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 2qn3 s LEU 254 Cb 0.00 -0.86 0.00 0.00 0.03 0.00 0.00 46.19 45.36 2qn3 s LEU 254 CO 0.00 0.20 0.00 -3.20 0.23 0.00 0.00 176.35 173.58 2qn3 n ASN 258 N 2.59 -3.95 -0.02 2.29 2.85 -1.26 -4.99 115.26 112.77 2qn3 n ASN 258 Ca -0.15 0.61 -0.13 0.00 -0.11 0.00 0.00 54.58 54.80 2qn3 n ASN 258 Cb 0.54 -3.14 -0.10 0.00 1.24 0.00 0.00 39.78 38.32 2qn3 n ASN 258 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 2qn3 h VAL 259 N 1.19 1.44 -0.66 3.44 2.07 -2.05 -0.38 116.25 121.30 2qn3 h VAL 259 Ca 0.00 -1.32 0.09 0.00 0.82 0.00 0.00 66.70 66.29 2qn3 h VAL 259 Cb 0.05 2.30 -0.07 0.00 -1.52 0.00 0.00 31.29 32.05 2qn3 h VAL 259 CO 0.00 0.35 0.31 1.23 0.02 0.00 0.00 177.57 179.48 2qn3 h GLY 260 N -0.50 0.97 0.89 2.17 0.00 -2.05 0.20 103.07 104.76 2qn3 h GLY 260 Ca 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 2qn3 h GLY 260 CO 0.01 0.05 0.08 -1.33 0.00 0.00 0.00 176.54 175.35 2qn3 h GLY 261 N 0.55 0.44 0.97 4.60 0.00 -1.99 -1.47 103.07 106.17 2qn3 h GLY 261 Ca 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 2qn3 h GLY 261 CO -0.26 0.24 0.07 -1.82 0.00 0.00 0.00 176.54 174.77 2qn3 h TYR 262 N 0.26 0.15 -0.10 5.60 3.20 -0.72 -1.45 116.97 123.91 2qn3 h TYR 262 Ca 0.09 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.98 2qn3 h TYR 262 Cb 0.24 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 2qn3 h TYR 262 CO 0.00 0.13 -0.03 0.82 -1.64 0.00 0.00 178.16 177.44 2qn3 h ILE 263 N 0.12 0.88 -0.97 1.81 1.08 -0.96 -2.40 117.51 117.07 2qn3 h ILE 263 Ca 0.04 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.54 2qn3 h ILE 263 Cb 0.03 0.88 -0.06 0.00 -3.07 0.00 0.00 36.82 34.60 2qn3 h ILE 263 CO -0.01 0.00 0.63 -0.61 -0.69 0.00 0.00 178.15 177.47 2qn3 h GLN 264 N -0.01 1.19 -0.89 2.37 5.75 -1.21 -1.03 115.11 121.28 2qn3 h GLN 264 Ca 0.05 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2qn3 h GLN 264 Cb 0.09 -0.27 -0.04 0.00 1.07 0.00 0.00 27.48 28.33 2qn3 h GLN 264 CO -0.11 0.79 0.56 0.00 -2.65 0.00 0.00 178.83 177.41 2qn3 h ALA 265 N 1.39 1.13 -0.34 3.38 0.00 -0.89 0.17 119.26 124.10 2qn3 h ALA 265 Ca 0.38 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2qn3 h ALA 265 Cb -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 2qn3 h ALA 265 CO -0.12 0.57 -0.06 0.28 0.00 0.00 0.00 179.25 179.92 2qn3 h VAL 266 N 1.21 1.27 -0.06 0.00 2.07 -0.95 -3.11 116.25 116.68 2qn3 h VAL 266 Ca 0.32 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 2qn3 h VAL 266 Cb -0.08 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2qn3 h VAL 266 CO -0.06 0.36 -0.25 -0.07 0.02 0.00 0.00 177.57 177.56 2qn3 h LEU 267 N 0.43 0.10 0.00 2.57 3.38 -0.76 -2.74 115.31 118.29 2qn3 h LEU 267 Ca 0.09 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qn3 h LEU 267 Cb 0.54 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2qn3 h LEU 267 CO 0.03 0.36 0.00 0.47 0.09 0.00 0.00 178.44 179.39 2qn3 n ASP 268 N -4.20 0.00 0.24 -0.43 8.00 0.56 -2.79 116.55 117.94 2qn3 n ASP 268 Ca -0.02 0.33 0.14 0.00 0.71 0.00 0.00 54.79 55.95 2qn3 n ASP 268 Cb 0.33 -0.42 0.79 0.00 -0.02 0.00 0.00 41.12 41.80 2qn3 n ASP 268 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2qn3 h ARG 269 N 0.00 0.00 -0.84 -1.24 3.08 -1.51 -1.99 114.38 111.88 2qn3 h ARG 269 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 59.98 60.22 2qn3 h ARG 269 Cb 0.24 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 2qn3 h ARG 269 CO 0.00 0.00 0.55 -0.91 -1.07 0.00 0.00 179.97 178.54 2qn3 h ASN 270 N 0.00 0.45 -0.66 7.04 -0.26 -1.75 -2.39 115.58 118.00 2qn3 h ASN 270 Ca 0.04 0.03 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 2qn3 h ASN 270 Cb 0.18 -0.05 -0.05 0.00 -1.06 0.00 0.00 38.32 37.34 2qn3 h ASN 270 CO -0.00 0.21 0.39 -0.07 -1.06 0.00 0.00 177.43 176.90 2qn3 h LEU 271 N 0.47 0.61 -0.26 1.61 4.07 -1.62 0.01 115.31 120.21 2qn3 h LEU 271 Ca 0.42 0.01 -0.19 0.00 0.08 0.00 0.00 57.88 58.20 2qn3 h LEU 271 Cb 0.94 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.57 2qn3 h LEU 271 CO -0.16 0.41 -0.59 0.00 -1.08 0.00 0.00 178.44 177.03 2qn3 h ALA 272 N 1.31 0.42 0.00 1.53 0.00 -1.61 -3.27 119.26 117.64 2qn3 h ALA 272 Ca 0.28 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2qn3 h ALA 272 Cb 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qn3 h ALA 272 CO -0.14 0.66 0.00 0.39 0.00 0.00 0.00 179.25 180.17 2qn3 n GLU 273 N -4.01 0.04 0.32 0.00 1.02 -1.01 -3.14 120.64 113.87 2qn3 n GLU 273 Ca -0.05 0.04 0.22 0.00 -0.02 0.00 0.00 57.16 57.34 2qn3 n GLU 273 Cb 0.65 -1.54 1.13 0.00 -0.02 0.00 0.00 31.44 31.65 2qn3 n GLU 273 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2qn3 h ASN 274 N 0.00 0.00 -0.74 1.62 2.35 -1.05 -3.13 115.58 114.63 2qn3 h ASN 274 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 2qn3 h ASN 274 Cb 0.53 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.81 2qn3 h ASN 274 CO 0.00 0.00 0.34 0.40 -1.65 0.00 0.00 177.43 176.52 2qn3 h ILE 275 N 0.00 0.75 -0.55 2.81 2.04 -1.77 -2.19 117.51 118.60 2qn3 h ILE 275 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2qn3 h ILE 275 Cb 0.07 0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.32 2qn3 h ILE 275 CO 0.00 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 176.71 2qn3 n SER 276 N -4.93 5.59 -0.01 1.72 3.41 -1.18 -4.64 113.62 113.59 2qn3 n SER 276 Ca 0.13 -2.93 -0.17 0.00 -0.26 0.00 0.00 58.87 55.64 2qn3 n SER 276 Cb 0.35 -0.67 -0.10 0.00 -0.26 0.00 0.00 64.21 63.53 2qn3 n SER 276 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2qn3 h ARG 277 N 3.84 0.41 -3.06 4.33 9.65 -1.52 -2.14 114.38 125.89 2qn3 h ARG 277 Ca 0.00 -0.40 -0.16 0.00 -1.10 0.00 0.00 59.98 58.32 2qn3 h ARG 277 Cb 1.94 0.11 -0.25 0.00 -1.39 0.00 0.00 29.97 30.37 2qn3 h ARG 277 CO 0.47 1.06 -0.39 0.54 2.80 0.00 0.00 179.97 184.45 2qn3 s VAL 278 N -3.35 -0.00 0.05 0.20 0.11 -1.26 -0.94 120.40 115.21 2qn3 s VAL 278 Ca -0.13 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.61 2qn3 s VAL 278 Cb 0.04 -0.39 -0.06 0.00 -1.53 0.00 0.00 36.38 34.44 2qn3 s VAL 278 CO 0.81 0.00 1.31 -0.22 -3.33 0.00 0.00 175.10 173.67 2qn3 s LEU 279 N 0.17 4.35 -0.05 2.54 2.96 -0.71 -4.99 118.68 122.94 2qn3 s LEU 279 Ca -0.00 2.11 -0.30 0.00 -0.22 0.00 0.00 54.13 55.73 2qn3 s LEU 279 Cb -0.02 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2qn3 s LEU 279 CO 0.00 -0.60 1.61 -0.31 -1.32 0.00 0.00 176.35 175.73 2qn3 s TYR 280 N 1.53 2.11 -2.18 5.38 1.51 -1.26 -4.84 117.35 119.60 2qn3 s TYR 280 Ca 0.61 0.29 0.18 0.00 -1.01 0.00 0.00 57.07 57.15 2qn3 s TYR 280 Cb -0.32 -3.87 0.53 0.00 -0.11 0.00 0.00 41.96 38.19 2qn3 s TYR 280 CO 0.28 -3.62 1.42 -0.35 -1.11 0.00 0.00 175.55 172.18 2qn3 n PRO 281 N 6.91 1.99 -2.85 -1.71 -0.04 -1.26 -4.85 135.00 133.19 2qn3 n PRO 281 Ca 0.17 -1.51 -0.43 0.00 -0.04 0.00 0.00 63.50 61.68 2qn3 n PRO 281 Cb 0.43 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.46 2qn3 n PRO 281 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qn3 s ASN 282 N -1.29 6.38 0.00 3.54 4.22 -1.26 -4.51 114.94 122.03 2qn3 s ASN 282 Ca 0.32 -0.23 0.10 0.00 -2.14 0.00 0.00 52.86 50.91 2qn3 s ASN 282 Cb 0.17 -2.43 0.25 0.00 1.28 0.00 0.00 41.25 40.52 2qn3 s ASN 282 CO 0.24 -1.16 1.16 -0.90 -2.04 0.00 0.00 177.10 174.40 2qn3 n ASP 283 N 7.32 2.67 -0.09 3.54 5.75 -1.26 -4.62 116.55 129.86 2qn3 n ASP 283 Ca 0.03 -1.88 -0.11 0.00 -0.01 0.00 0.00 54.79 52.82 2qn3 n ASP 283 Cb 0.48 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.30 2qn3 n ASP 283 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2qn3 n ASN 284 N 0.50 2.09 -3.68 -1.12 6.94 -1.26 -5.02 115.26 113.71 2qn3 n ASN 284 Ca 0.10 -0.06 -0.16 0.00 -0.02 0.00 0.00 54.58 54.43 2qn3 n ASN 284 Cb 0.39 0.13 -0.15 0.00 -2.36 0.00 0.00 39.78 37.78 2qn3 n ASN 284 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2qn3 s PHE 285 N -2.37 -0.19 0.13 -2.53 5.36 -1.26 -4.18 117.98 112.93 2qn3 s PHE 285 Ca -0.19 0.62 -0.31 0.00 -0.96 0.00 0.00 56.93 56.09 2qn3 s PHE 285 Cb 0.06 -0.22 -0.09 0.00 -0.34 0.00 0.00 43.02 42.42 2qn3 s PHE 285 CO 0.50 -0.26 1.59 0.12 -1.46 0.00 0.00 175.22 175.71 2qn3 s PHE 286 N 2.13 2.86 -0.16 10.12 2.19 0.29 -4.95 117.98 130.46 2qn3 s PHE 286 Ca 0.01 0.54 0.01 0.00 0.33 0.00 0.00 56.93 57.82 2qn3 s PHE 286 Cb -0.12 -3.93 0.01 0.00 -1.31 0.00 0.00 43.02 37.67 2qn3 s PHE 286 CO -0.06 -3.53 -0.20 -1.21 1.83 0.00 0.00 175.22 172.05 2qn3 s GLU 287 N 1.63 3.05 -1.47 10.12 2.02 -1.26 -5.00 118.70 127.79 2qn3 s GLU 287 Ca 0.71 -0.82 -0.13 0.00 0.02 0.00 0.00 54.97 54.74 2qn3 s GLU 287 Cb -0.42 -2.53 0.03 0.00 0.10 0.00 0.00 34.13 31.31 2qn3 s GLU 287 CO 0.31 -0.09 2.29 0.41 0.02 0.00 0.00 175.26 178.20 2qn3 n GLY 288 N 4.29 4.43 3.84 -1.39 0.00 -1.26 -4.94 105.19 110.16 2qn3 n GLY 288 Ca -0.20 -1.61 -0.37 0.00 0.00 0.00 0.00 46.02 43.83 2qn3 n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qn3 s LYS 289 N 2.93 3.78 0.23 1.61 -0.14 -1.26 -4.99 119.74 121.90 2qn3 s LYS 289 Ca 0.49 0.19 -0.07 0.00 -1.36 0.00 0.00 55.97 55.22 2qn3 s LYS 289 Cb 0.14 -3.23 0.28 0.00 -1.68 0.00 0.00 37.83 33.34 2qn3 s LYS 289 CO -0.08 0.68 1.86 1.49 -0.76 0.00 0.00 175.35 178.53 2qn3 h GLU 290 N 4.99 0.93 -0.90 1.68 4.81 -2.00 -2.39 114.58 121.70 2qn3 h GLU 290 Ca -0.52 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.66 2qn3 h GLU 290 Cb 1.22 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 2qn3 h GLU 290 CO 0.62 0.61 0.58 1.25 -0.73 0.00 0.00 179.01 181.34 2qn3 h LEU 291 N 0.96 1.04 -0.71 1.64 5.85 -1.99 -0.84 115.31 121.25 2qn3 h LEU 291 Ca 0.34 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.94 2qn3 h LEU 291 Cb 0.09 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2qn3 h LEU 291 CO -0.14 0.77 0.08 -0.09 -0.34 0.00 0.00 178.44 178.71 2qn3 h ARG 292 N 1.22 1.07 -0.74 1.25 9.65 -1.82 -1.50 114.38 123.51 2qn3 h ARG 292 Ca 0.33 -0.29 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2qn3 h ARG 292 Cb -0.12 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.31 2qn3 h ARG 292 CO -0.07 0.99 0.35 1.25 2.80 0.00 0.00 179.97 185.30 2qn3 h LEU 293 N 1.00 0.97 -0.72 3.80 5.85 -1.00 -1.49 115.31 123.72 2qn3 h LEU 293 Ca 0.19 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2qn3 h LEU 293 Cb 0.46 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2qn3 h LEU 293 CO 0.02 0.84 0.46 0.11 -0.34 0.00 0.00 178.44 179.52 2qn3 h LYS 294 N 1.04 0.96 -0.48 1.25 1.57 -0.89 -1.39 116.57 118.64 2qn3 h LYS 294 Ca 0.25 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.99 2qn3 h LYS 294 Cb 0.13 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2qn3 h LYS 294 CO -0.03 0.65 0.28 1.96 -0.57 0.00 0.00 179.45 181.74 2qn3 h GLN 295 N 0.97 0.54 -0.63 3.15 4.20 -0.92 0.23 115.11 122.65 2qn3 h GLN 295 Ca 0.26 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.88 2qn3 h GLN 295 Cb -0.08 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 2qn3 h GLN 295 CO -0.05 0.36 0.15 0.93 -0.67 0.00 0.00 178.83 179.55 2qn3 h GLU 296 N 0.56 1.01 -0.20 1.46 5.08 -0.81 -2.32 114.58 119.36 2qn3 h GLU 296 Ca 0.20 -0.24 -0.20 0.00 -1.00 0.00 0.00 59.36 58.11 2qn3 h GLU 296 Cb 0.03 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2qn3 h GLU 296 CO -0.10 0.92 -0.68 -0.92 -1.00 0.00 0.00 179.01 177.23 2qn3 h TYR 297 N 0.93 1.03 -0.42 4.33 3.20 -1.11 -3.05 116.97 121.88 2qn3 h TYR 297 Ca 0.20 -0.42 0.08 0.00 3.14 0.00 0.00 58.73 61.73 2qn3 h TYR 297 Cb 0.36 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 38.39 2qn3 h TYR 297 CO 0.03 1.24 -0.00 0.35 -1.64 0.00 0.00 178.16 178.13 2qn3 h PHE 298 N 0.57 -0.03 -0.44 -3.82 3.57 -0.76 0.24 116.94 116.27 2qn3 h PHE 298 Ca -0.02 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2qn3 h PHE 298 Cb 1.29 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 2qn3 h PHE 298 CO 0.08 -0.09 -0.06 -0.24 -2.23 0.00 0.00 178.31 175.77 2qn3 h VAL 299 N 0.11 1.27 -0.12 1.41 3.04 -1.49 -2.75 116.25 117.72 2qn3 h VAL 299 Ca 0.21 -1.13 -0.01 0.00 -1.01 0.00 0.00 66.70 64.75 2qn3 h VAL 299 Cb 0.30 1.12 -0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2qn3 h VAL 299 CO -0.35 0.39 0.03 0.58 -1.01 0.00 0.00 177.57 177.21 2qn3 h VAL 300 N 0.64 1.20 -0.18 1.51 2.07 -1.33 -1.67 116.25 118.48 2qn3 h VAL 300 Ca 0.12 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 2qn3 h VAL 300 Cb 0.57 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2qn3 h VAL 300 CO 0.03 0.18 0.04 0.00 0.02 0.00 0.00 177.57 177.85 2qn3 h ALA 301 N 0.82 0.24 -0.31 1.67 0.00 -0.58 -1.28 119.26 119.83 2qn3 h ALA 301 Ca 0.04 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 2qn3 h ALA 301 Cb 0.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2qn3 h ALA 301 CO 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 179.25 179.18 2qn3 h ALA 302 N 0.85 0.41 -0.17 0.00 0.00 -1.55 -2.91 119.26 115.89 2qn3 h ALA 302 Ca 0.06 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.78 2qn3 h ALA 302 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qn3 h ALA 302 CO 0.00 0.12 0.06 1.15 0.00 0.00 0.00 179.25 180.58 2qn3 h THR 303 N 0.34 0.96 -0.55 0.00 2.02 -1.25 -2.44 112.91 111.99 2qn3 h THR 303 Ca 0.09 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 2qn3 h THR 303 Cb 0.36 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2qn3 h THR 303 CO 0.01 0.03 0.13 -0.07 0.37 0.00 0.00 175.52 175.99 2qn3 h LEU 304 N 0.14 0.79 -0.78 2.58 4.07 -1.25 0.29 115.31 121.15 2qn3 h LEU 304 Ca 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 2qn3 h LEU 304 Cb 0.04 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.54 2qn3 h LEU 304 CO -0.07 0.78 0.44 1.56 -1.08 0.00 0.00 178.44 180.06 2qn3 h GLN 305 N 0.82 1.09 -0.36 1.13 4.20 -1.42 -0.96 115.11 119.60 2qn3 h GLN 305 Ca 0.18 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 2qn3 h GLN 305 Cb 0.30 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 2qn3 h GLN 305 CO -0.00 0.80 0.07 0.22 -0.67 0.00 0.00 178.83 179.25 2qn3 h ASP 306 N 1.08 0.56 -0.17 1.46 -0.00 -0.89 -0.91 116.42 117.55 2qn3 h ASP 306 Ca 0.28 -0.25 0.02 0.00 -0.00 0.00 0.00 57.03 57.07 2qn3 h ASP 306 Cb 0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.33 39.19 2qn3 h ASP 306 CO -0.05 0.66 0.06 0.40 -0.00 0.00 0.00 179.24 180.32 2qn3 h ILE 307 N 0.43 0.96 -0.49 2.25 2.04 -0.80 -1.98 117.51 119.92 2qn3 h ILE 307 Ca 0.11 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.87 2qn3 h ILE 307 Cb 0.34 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 2qn3 h ILE 307 CO 0.00 0.03 0.09 0.40 0.00 0.00 0.00 178.15 178.67 2qn3 h ILE 308 N 0.14 1.25 -0.39 -0.67 2.04 -1.09 -1.02 117.51 117.76 2qn3 h ILE 308 Ca 0.07 -0.91 0.05 0.00 1.00 0.00 0.00 64.86 65.08 2qn3 h ILE 308 Cb 0.04 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 2qn3 h ILE 308 CO -0.07 0.32 0.12 -0.09 0.00 0.00 0.00 178.15 178.43 2qn3 h ARG 309 N 0.68 0.26 -0.38 2.37 2.43 -1.10 -0.36 114.38 118.28 2qn3 h ARG 309 Ca 0.15 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2qn3 h ARG 309 Cb 0.38 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2qn3 h ARG 309 CO 0.01 0.17 -0.04 -0.09 -1.51 0.00 0.00 179.97 178.51 2qn3 h ARG 310 N 0.27 0.63 -0.39 0.20 2.43 -1.16 -2.01 114.38 114.34 2qn3 h ARG 310 Ca 0.18 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 2qn3 h ARG 310 Cb 0.19 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2qn3 h ARG 310 CO -0.21 0.68 -0.09 0.35 -1.51 0.00 0.00 179.97 179.19 2qn3 h PHE 311 N 0.59 0.85 -0.09 2.20 3.57 -0.57 -3.12 116.94 120.37 2qn3 h PHE 311 Ca 0.12 -0.18 -0.11 0.00 3.53 0.00 0.00 57.97 61.33 2qn3 h PHE 311 Cb 0.43 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 2qn3 h PHE 311 CO 0.02 0.89 -0.43 0.87 -2.23 0.00 0.00 178.31 177.42 2qn3 h LYS 312 N 0.57 0.20 -1.61 1.11 1.57 -0.93 -3.07 116.57 114.41 2qn3 h LYS 312 Ca 0.10 -0.10 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 2qn3 h LYS 312 Cb 0.61 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.84 2qn3 h LYS 312 CO 0.04 0.60 0.24 0.43 -0.57 0.00 0.00 179.45 180.18 2qn3 n SER 313 N -4.01 5.58 0.09 0.86 7.64 -0.77 -4.93 113.62 118.08 2qn3 n SER 313 Ca -0.02 -2.74 -0.04 0.00 1.01 0.00 0.00 58.87 57.08 2qn3 n SER 313 Cb 0.49 -1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 62.66 2qn3 n SER 313 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2qn3 h SER 314 N 1.13 -0.20 0.00 6.43 0.02 -1.62 -3.49 113.55 115.82 2qn3 h SER 314 Ca 0.17 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2qn3 h SER 314 Cb 1.04 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2qn3 h SER 314 CO 0.43 -0.09 0.00 0.41 -1.14 0.00 0.00 176.83 176.44 2qn3 n THR 324 N -2.91 0.00 -3.21 -2.27 -1.04 -1.26 -5.00 114.28 98.59 2qn3 n THR 324 Ca -0.03 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.53 2qn3 n THR 324 Cb 0.09 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.56 2qn3 n THR 324 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qn3 s ASN 325 N 0.00 6.24 0.00 8.00 3.04 -1.26 -4.91 114.94 126.05 2qn3 s ASN 325 Ca 0.00 -1.71 0.30 0.00 0.04 0.00 0.00 52.86 51.50 2qn3 s ASN 325 Cb 0.00 -2.26 1.52 0.00 -1.54 0.00 0.00 41.25 38.97 2qn3 s ASN 325 CO 0.00 -0.96 2.05 0.49 -3.04 0.00 0.00 177.10 175.65 2qn3 n PHE 326 N 5.67 0.00 0.11 0.43 3.72 -1.26 -3.14 117.46 122.98 2qn3 n PHE 326 Ca -0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.37 2qn3 n PHE 326 Cb 0.42 -0.29 0.52 0.00 -0.94 0.00 0.00 39.48 39.19 2qn3 n PHE 326 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2qn3 h ASP 327 N 0.01 0.27 0.24 4.37 5.19 -1.98 -2.38 116.42 122.15 2qn3 h ASP 327 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2qn3 h ASP 327 Cb 0.29 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2qn3 h ASP 327 CO 0.00 0.20 -0.22 0.00 -3.12 0.00 0.00 179.24 176.10 2qn3 n ALA 328 N -2.50 3.00 -0.10 3.45 0.00 -1.19 -4.39 120.51 118.79 2qn3 n ALA 328 Ca 0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.00 2qn3 n ALA 328 Cb 0.07 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2qn3 n ALA 328 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2qn3 h PHE 329 N 1.18 -0.45 0.00 0.00 3.04 -1.59 -1.14 116.94 117.98 2qn3 h PHE 329 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2qn3 h PHE 329 Cb 0.48 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.24 2qn3 h PHE 329 CO 0.00 -0.26 0.00 -1.35 -2.02 0.00 0.00 178.31 174.68 2qn3 h PRO 330 N -0.12 0.00 0.00 6.41 0.11 -1.78 0.61 132.00 137.22 2qn3 h PRO 330 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qn3 h PRO 330 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.50 2qn3 h PRO 330 CO -0.43 0.00 -0.01 -0.44 -0.21 0.00 0.00 178.00 176.91 2qn3 h ASP 331 N 0.00 0.00 0.00 -2.05 3.32 -1.49 -3.35 116.42 112.85 2qn3 h ASP 331 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qn3 h ASP 331 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 2qn3 h ASP 331 CO 0.00 0.00 -0.18 0.29 -1.72 0.00 0.00 179.24 177.63 2qn3 n LYS 332 N -3.08 5.76 -4.11 3.56 4.76 -0.77 -4.54 118.16 119.75 2qn3 n LYS 332 Ca 0.04 -0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.27 2qn3 n LYS 332 Cb 0.53 -0.67 -0.17 0.00 -1.84 0.00 0.00 35.03 32.88 2qn3 n LYS 332 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2qn3 s VAL 333 N -1.34 0.55 -0.07 -0.18 1.01 0.13 -0.89 120.40 119.61 2qn3 s VAL 333 Ca 0.01 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2qn3 s VAL 333 Cb 0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.82 2qn3 s VAL 333 CO 0.14 0.24 -0.22 0.00 0.00 0.00 0.00 175.10 175.26 2qn3 s ALA 334 N 1.08 1.97 -0.21 5.51 0.00 -0.52 -4.47 121.76 125.12 2qn3 s ALA 334 Ca -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2qn3 s ALA 334 Cb -0.14 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.30 2qn3 s ALA 334 CO -0.01 0.31 -0.12 0.42 0.00 0.00 0.00 175.76 176.36 2qn3 s ILE 335 N 0.17 2.62 -0.24 0.00 1.01 -0.44 -0.27 121.20 124.04 2qn3 s ILE 335 Ca -0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 2qn3 s ILE 335 Cb -0.15 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2qn3 s ILE 335 CO 0.06 0.42 0.14 -1.58 0.00 0.00 0.00 174.94 173.97 2qn3 s GLN 336 N 1.35 3.96 -0.36 2.79 2.00 0.11 -1.70 119.66 127.81 2qn3 s GLN 336 Ca 0.04 -0.33 -0.17 0.00 -2.00 0.00 0.00 55.36 52.90 2qn3 s GLN 336 Cb -0.14 -3.49 -0.00 0.00 0.80 0.00 0.00 33.01 30.18 2qn3 s GLN 336 CO -0.08 -0.01 0.46 -0.51 -0.50 0.00 0.00 175.29 174.65 2qn3 s LEU 337 N 1.22 4.46 -0.87 3.68 1.43 -0.13 -1.22 118.68 127.24 2qn3 s LEU 337 Ca 0.07 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 2qn3 s LEU 337 Cb -0.14 -2.48 0.05 0.00 0.03 0.00 0.00 46.19 43.65 2qn3 s LEU 337 CO 0.05 -0.46 1.32 0.21 0.23 0.00 0.00 176.35 177.70 2qn3 s ASN 338 N 1.77 6.35 0.55 2.29 2.47 -0.73 -1.93 114.94 125.72 2qn3 s ASN 338 Ca 0.16 -1.07 0.00 0.00 0.42 0.00 0.00 52.86 52.37 2qn3 s ASN 338 Cb -0.16 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2qn3 s ASN 338 CO 0.13 -1.60 0.00 -0.67 -3.72 0.00 0.00 177.10 171.24 2qn3 n ASP 339 N 8.80 -2.69 -0.24 -4.21 -0.08 -0.52 -4.15 116.55 113.47 2qn3 n ASP 339 Ca 0.18 0.00 0.14 0.00 -1.51 0.00 0.00 54.79 53.59 2qn3 n ASP 339 Cb 0.50 0.00 0.54 0.00 2.34 0.00 0.00 41.12 44.50 2qn3 n ASP 339 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2qn3 n THR 340 N -0.68 0.00 -0.36 5.18 -2.24 -1.26 -4.36 114.28 110.56 2qn3 n THR 340 Ca 0.00 -0.12 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 2qn3 n THR 340 Cb 0.00 0.18 0.20 0.00 -2.10 0.00 0.00 70.33 68.61 2qn3 n THR 340 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2qn3 h HIS 341 N 1.17 1.13 -0.74 4.78 3.86 -1.96 0.91 115.15 124.31 2qn3 h HIS 341 Ca 0.00 0.03 -0.29 0.00 -1.16 0.00 0.00 60.37 58.95 2qn3 h HIS 341 Cb 0.41 -0.36 -0.17 0.00 1.06 0.00 0.00 27.41 28.35 2qn3 h HIS 341 CO 0.00 0.51 0.37 -0.35 0.86 0.00 0.00 177.93 179.31 2qn3 n PRO 342 N -4.59 2.92 0.32 2.45 -0.04 -1.26 -4.66 135.00 130.15 2qn3 n PRO 342 Ca 0.17 -2.66 0.20 0.00 -0.04 0.00 0.00 63.50 61.17 2qn3 n PRO 342 Cb 0.27 -2.08 1.11 0.00 -0.04 0.00 0.00 33.50 32.77 2qn3 n PRO 342 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qn3 h SER 343 N 1.81 0.00 0.27 3.54 4.64 -1.07 -1.77 113.55 120.97 2qn3 h SER 343 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 2qn3 h SER 343 Cb 2.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.42 2qn3 h SER 343 CO 0.77 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.91 2qn3 n LEU 344 N -3.26 0.00 -0.09 5.97 4.77 -1.26 -2.22 117.00 120.91 2qn3 n LEU 344 Ca -0.03 0.40 0.08 0.00 -0.03 0.00 0.00 56.01 56.44 2qn3 n LEU 344 Cb 0.11 -0.40 0.43 0.00 -2.33 0.00 0.00 43.42 41.22 2qn3 n LEU 344 CO 0.21 -0.27 1.19 0.00 -1.33 0.00 0.00 177.39 177.19 2qn3 h ALA 345 N 2.39 1.82 0.74 -1.18 0.00 -1.68 -1.00 119.26 120.35 2qn3 h ALA 345 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qn3 h ALA 345 Cb 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qn3 h ALA 345 CO 0.00 0.08 -0.36 0.82 0.00 0.00 0.00 179.25 179.80 2qn3 h ILE 346 N 0.57 0.04 0.00 0.00 2.04 -1.70 0.41 117.51 118.87 2qn3 h ILE 346 Ca 0.25 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2qn3 h ILE 346 Cb 0.28 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 2qn3 h ILE 346 CO -0.07 0.00 -0.25 1.55 0.00 0.00 0.00 178.15 179.38 2qn3 h PRO 347 N -1.25 0.00 -0.42 2.37 0.13 -1.75 -2.45 132.00 128.63 2qn3 h PRO 347 Ca -0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 2qn3 h PRO 347 Cb 0.77 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.89 2qn3 h PRO 347 CO 0.17 0.25 -0.11 1.49 -0.23 0.00 0.00 178.00 179.57 2qn3 h GLU 348 N 0.00 0.81 -0.62 0.86 4.57 -1.15 0.96 114.58 120.01 2qn3 h GLU 348 Ca -0.00 -0.31 -0.02 0.00 -1.18 0.00 0.00 59.36 57.85 2qn3 h GLU 348 Cb 0.65 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.17 2qn3 h GLU 348 CO 0.03 0.94 0.32 1.25 -1.18 0.00 0.00 179.01 180.37 2qn3 h LEU 349 N 0.63 0.79 -0.58 1.64 5.85 -0.80 -1.15 115.31 121.69 2qn3 h LEU 349 Ca 0.10 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2qn3 h LEU 349 Cb 0.64 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2qn3 h LEU 349 CO 0.04 0.68 0.37 0.24 -0.34 0.00 0.00 178.44 179.43 2qn3 h MET 350 N 0.85 0.72 -0.19 1.25 2.86 -1.32 -1.21 114.93 117.89 2qn3 h MET 350 Ca 0.22 -0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.84 2qn3 h MET 350 Cb 0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2qn3 h MET 350 CO -0.03 0.48 0.03 -0.09 1.06 0.00 0.00 176.91 178.36 2qn3 h ARG 351 N 0.74 0.11 -0.30 1.72 2.43 -0.40 0.23 114.38 118.90 2qn3 h ARG 351 Ca 0.22 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2qn3 h ARG 351 Cb -0.04 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2qn3 h ARG 351 CO -0.07 0.07 0.13 0.28 -1.51 0.00 0.00 179.97 178.87 2qn3 h VAL 352 N 0.11 1.17 -0.43 0.20 2.07 -1.08 -0.20 116.25 118.10 2qn3 h VAL 352 Ca 0.08 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 2qn3 h VAL 352 Cb 0.08 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2qn3 h VAL 352 CO -0.11 0.18 -0.19 -0.07 0.02 0.00 0.00 177.57 177.39 2qn3 h LEU 353 N 0.34 0.91 0.00 2.57 3.38 -1.00 -0.54 115.31 120.97 2qn3 h LEU 353 Ca 0.10 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 2qn3 h LEU 353 Cb 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2qn3 h LEU 353 CO -0.01 1.10 -0.16 0.58 0.09 0.00 0.00 178.44 180.04 2qn3 h VAL 354 N 0.71 0.97 -0.03 1.22 2.07 -0.98 -0.39 116.25 119.82 2qn3 h VAL 354 Ca 0.10 -1.78 -0.25 0.00 0.82 0.00 0.00 66.70 65.58 2qn3 h VAL 354 Cb 0.75 1.89 0.02 0.00 -1.52 0.00 0.00 31.29 32.43 2qn3 h VAL 354 CO 0.06 0.33 -0.98 0.44 0.02 0.00 0.00 177.57 177.44 2qn3 h ASP 355 N -1.00 0.87 0.01 0.57 3.45 -1.16 -2.94 116.42 116.22 2qn3 h ASP 355 Ca -0.03 -0.67 -0.41 0.00 0.43 0.00 0.00 57.03 56.35 2qn3 h ASP 355 Cb 0.65 -0.26 -0.06 0.00 -0.56 0.00 0.00 39.33 39.10 2qn3 h ASP 355 CO -0.02 1.47 -2.38 0.18 -1.57 0.00 0.00 179.24 176.92 2qn3 n LEU 356 N -3.85 2.52 0.02 1.55 4.77 -0.85 -4.50 117.00 116.64 2qn3 n LEU 356 Ca -0.10 0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2qn3 n LEU 356 Cb 0.85 -0.90 0.21 0.00 -2.33 0.00 0.00 43.42 41.25 2qn3 n LEU 356 CO 0.55 0.76 0.39 -0.62 -1.33 0.00 0.00 177.39 177.14 2qn3 n GLU 357 N -3.70 0.09 -2.51 3.23 -0.58 -0.27 -4.98 120.64 111.93 2qn3 n GLU 357 Ca -0.47 0.02 -0.16 0.00 -0.42 0.00 0.00 57.16 56.13 2qn3 n GLU 357 Cb 0.94 -1.55 0.01 0.00 -0.57 0.00 0.00 31.44 30.27 2qn3 n GLU 357 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2qn3 n ARG 358 N -1.68 -2.22 -2.55 3.49 5.12 -0.78 -4.96 116.66 113.07 2qn3 n ARG 358 Ca 0.05 0.72 -0.33 0.00 -1.93 0.00 0.00 57.85 56.35 2qn3 n ARG 358 Cb 0.37 -5.07 -0.04 0.00 -1.16 0.00 0.00 32.46 26.55 2qn3 n ARG 358 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2qn3 s LEU 359 N -4.68 3.78 0.64 0.55 1.02 -0.22 -4.99 118.68 114.78 2qn3 s LEU 359 Ca 0.09 1.72 -0.16 0.00 0.02 0.00 0.00 54.13 55.81 2qn3 s LEU 359 Cb -0.04 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.62 2qn3 s LEU 359 CO 0.11 -0.61 1.11 1.51 0.02 0.00 0.00 176.35 178.49 2qn3 s ASP 360 N -2.45 5.24 0.16 2.29 -4.77 -1.26 -4.39 116.67 111.49 2qn3 s ASP 360 Ca 0.62 2.00 -0.18 0.00 -3.30 0.00 0.00 52.55 51.70 2qn3 s ASP 360 Cb -0.12 -2.55 0.07 0.00 -1.09 0.00 0.00 42.92 39.23 2qn3 s ASP 360 CO 0.22 -1.54 1.67 -0.25 0.70 0.00 0.00 175.17 175.97 2qn3 h TRP 361 N 0.21 -0.26 -0.87 2.11 2.91 -1.97 -2.05 115.95 116.03 2qn3 h TRP 361 Ca -0.47 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2qn3 h TRP 361 Cb 1.25 0.17 -0.04 0.00 -0.51 0.00 0.00 29.16 30.02 2qn3 h TRP 361 CO 0.55 -0.18 0.56 -0.44 -1.03 0.00 0.00 178.44 177.89 2qn3 h ASP 362 N -0.04 1.02 -0.19 2.65 3.45 -1.99 -0.15 116.42 121.17 2qn3 h ASP 362 Ca 0.17 -0.04 -0.07 0.00 0.43 0.00 0.00 57.03 57.52 2qn3 h ASP 362 Cb 0.30 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.81 2qn3 h ASP 362 CO -0.37 0.76 -0.15 0.50 -1.57 0.00 0.00 179.24 178.41 2qn3 h LYS 363 N 1.19 0.43 -0.60 3.56 1.63 -1.90 -2.10 116.57 118.77 2qn3 h LYS 363 Ca 0.32 -0.21 0.07 0.00 -0.85 0.00 0.00 60.65 59.97 2qn3 h LYS 363 Cb -0.10 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.47 2qn3 h LYS 363 CO -0.06 0.77 0.30 0.00 -3.45 0.00 0.00 179.45 177.00 2qn3 h ALA 364 N 0.65 0.80 -0.81 5.00 0.00 -1.10 -1.66 119.26 122.15 2qn3 h ALA 364 Ca 0.03 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qn3 h ALA 364 Cb 0.67 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2qn3 h ALA 364 CO 0.04 -0.07 0.34 2.35 0.00 0.00 0.00 179.25 181.91 2qn3 h TRP 365 N 0.54 1.21 -0.31 0.00 2.91 -0.99 -0.42 115.95 118.88 2qn3 h TRP 365 Ca 0.28 -0.08 -0.00 0.00 1.13 0.00 0.00 58.89 60.22 2qn3 h TRP 365 Cb 0.24 -0.37 -0.02 0.00 -0.51 0.00 0.00 29.16 28.51 2qn3 h TRP 365 CO -0.11 0.90 0.19 1.49 -1.03 0.00 0.00 178.44 179.87 2qn3 h GLU 366 N 1.17 0.43 -0.39 2.65 4.81 -0.94 -1.42 114.58 120.88 2qn3 h GLU 366 Ca 0.27 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 2qn3 h GLU 366 Cb 0.19 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2qn3 h GLU 366 CO -0.03 0.34 0.22 0.28 -0.73 0.00 0.00 179.01 179.09 2qn3 h VAL 367 N 0.40 1.15 0.10 0.32 2.07 -1.04 -2.50 116.25 116.75 2qn3 h VAL 367 Ca 0.11 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 2qn3 h VAL 367 Cb 0.02 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2qn3 h VAL 367 CO -0.02 0.16 -0.06 0.74 0.02 0.00 0.00 177.57 178.40 2qn3 h THR 368 N 0.51 0.87 -0.40 2.57 2.02 -0.89 -1.80 112.91 115.79 2qn3 h THR 368 Ca 0.14 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 2qn3 h THR 368 Cb 0.06 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2qn3 h THR 368 CO -0.02 0.00 0.25 0.58 0.37 0.00 0.00 175.52 176.70 2qn3 h VAL 369 N -0.16 1.08 0.00 3.16 2.07 -1.24 -1.55 116.25 119.60 2qn3 h VAL 369 Ca -0.01 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2qn3 h VAL 369 Cb 0.13 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2qn3 h VAL 369 CO 0.01 0.09 -0.04 0.11 0.02 0.00 0.00 177.57 177.76 2qn3 h LYS 370 N 0.51 0.00 0.17 1.57 1.57 -1.35 -1.94 116.57 117.10 2qn3 h LYS 370 Ca 0.15 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.57 2qn3 h LYS 370 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2qn3 h LYS 370 CO -0.05 0.04 -1.84 1.15 -0.57 0.00 0.00 179.45 178.18 2qn3 h THR 371 N 0.00 0.83 -2.90 -0.16 2.02 -0.62 -3.47 112.91 108.60 2qn3 h THR 371 Ca -0.00 -2.45 -0.63 0.00 0.77 0.00 0.00 66.41 64.10 2qn3 h THR 371 Cb 0.33 2.68 -0.05 0.00 -1.74 0.00 0.00 68.15 69.37 2qn3 h THR 371 CO 0.01 0.88 -0.39 0.00 0.37 0.00 0.00 175.52 176.39 2qn3 s ALA 373 N -1.29 0.15 -0.06 0.00 0.00 -0.69 -1.70 121.76 118.17 2qn3 s ALA 373 Ca 0.27 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.60 2qn3 s ALA 373 Cb -0.13 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2qn3 s ALA 373 CO 0.16 -0.20 -0.13 -0.47 0.00 0.00 0.00 175.76 175.12 2qn3 s TYR 374 N -1.84 1.52 -0.19 0.00 6.14 -0.36 -0.95 117.35 121.66 2qn3 s TYR 374 Ca -0.12 -0.54 -0.04 0.00 0.64 0.00 0.00 57.07 57.01 2qn3 s TYR 374 Cb -0.07 -1.09 -0.02 0.00 0.42 0.00 0.00 41.96 41.20 2qn3 s TYR 374 CO -0.02 -0.26 -0.02 0.99 0.64 0.00 0.00 175.55 176.88 2qn3 s THR 375 N 0.52 3.76 -0.00 4.34 2.01 -0.81 -1.62 115.64 123.83 2qn3 s THR 375 Ca -0.13 -0.38 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 2qn3 s THR 375 Cb -0.15 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.62 2qn3 s THR 375 CO 0.04 0.44 0.34 0.21 -0.69 0.00 0.00 174.62 174.95 2qn3 s ASN 376 N 0.99 6.65 0.00 3.53 3.84 -0.72 -1.43 114.94 127.80 2qn3 s ASN 376 Ca 0.01 0.78 0.00 0.00 0.21 0.00 0.00 52.86 53.86 2qn3 s ASN 376 Cb -0.14 -2.18 0.00 0.00 -0.55 0.00 0.00 41.25 38.38 2qn3 s ASN 376 CO 0.01 0.30 0.43 1.41 -2.79 0.00 0.00 177.10 176.46 2qn3 n HIS 377 N 1.55 0.00 -3.48 0.43 8.25 -1.26 -4.25 115.22 116.46 2qn3 n HIS 377 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 2qn3 n HIS 377 Cb 0.53 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.60 2qn3 n HIS 377 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2qn3 s THR 378 N -0.07 0.00 -1.08 1.59 -1.32 -1.26 -4.50 115.64 109.01 2qn3 s THR 378 Ca 0.00 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.60 2qn3 s THR 378 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 2qn3 s THR 378 CO 0.00 0.00 0.70 1.33 -2.21 0.00 0.00 174.62 174.44 2qn3 n VAL 379 N 0.15 0.00 -2.09 5.08 0.24 -1.26 -4.99 118.33 115.46 2qn3 n VAL 379 Ca -0.16 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 2qn3 n VAL 379 Cb 0.61 1.13 -0.03 0.00 -1.47 0.00 0.00 33.84 34.09 2qn3 n VAL 379 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qn3 s LEU 380 N -1.81 4.31 0.43 1.34 1.43 -1.26 -4.90 118.68 118.21 2qn3 s LEU 380 Ca 0.10 2.19 0.12 0.00 -1.03 0.00 0.00 54.13 55.51 2qn3 s LEU 380 Cb 0.10 -3.55 0.92 0.00 0.03 0.00 0.00 46.19 43.69 2qn3 s LEU 380 CO 0.32 -0.85 1.97 1.55 0.23 0.00 0.00 176.35 179.57 2qn3 h PRO 381 N 8.77 0.11 0.00 1.29 0.13 -1.98 -2.57 132.00 137.74 2qn3 h PRO 381 Ca -0.38 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2qn3 h PRO 381 Cb 1.17 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2qn3 h PRO 381 CO 0.94 0.25 0.00 -0.85 -0.23 0.00 0.00 178.00 178.11 2qn3 n GLU 382 N -4.32 0.21 0.01 0.86 0.00 -1.26 -2.54 120.64 113.60 2qn3 n GLU 382 Ca -0.02 0.41 0.11 0.00 0.00 0.00 0.00 57.16 57.67 2qn3 n GLU 382 Cb 0.24 -1.88 0.12 0.00 0.00 0.00 0.00 31.44 29.92 2qn3 n GLU 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qn3 n ALA 383 N -1.79 3.80 -1.89 -1.84 0.00 -0.97 -0.55 120.51 117.27 2qn3 n ALA 383 Ca 0.02 -0.41 -0.40 0.00 0.00 0.00 0.00 53.44 52.65 2qn3 n ALA 383 Cb 0.25 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 2qn3 n ALA 383 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qn3 s LEU 384 N -3.18 4.59 -0.22 0.00 1.43 -1.05 -4.56 118.68 115.68 2qn3 s LEU 384 Ca 0.09 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.88 2qn3 s LEU 384 Cb 0.17 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.78 2qn3 s LEU 384 CO 0.76 0.02 1.13 -1.61 0.23 0.00 0.00 176.35 176.88 2qn3 s GLU 385 N -0.89 4.22 -0.36 1.70 2.02 -1.26 -4.78 118.70 119.35 2qn3 s GLU 385 Ca 0.44 1.44 0.01 0.00 0.02 0.00 0.00 54.97 56.87 2qn3 s GLU 385 Cb -0.27 -3.70 0.12 0.00 0.10 0.00 0.00 34.13 30.38 2qn3 s GLU 385 CO 0.33 -0.69 0.16 1.03 0.02 0.00 0.00 175.26 176.11 2qn3 s ARG 386 N 3.37 0.94 -0.05 1.61 0.52 -1.26 -2.11 118.95 121.98 2qn3 s ARG 386 Ca 0.48 -1.48 -0.28 0.00 -0.52 0.00 0.00 55.73 53.94 2qn3 s ARG 386 Cb -0.17 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 2qn3 s ARG 386 CO 0.10 -1.07 0.92 -1.58 0.02 0.00 0.00 175.30 173.68 2qn3 s TRP 387 N 1.06 3.60 0.25 -0.53 0.52 -0.75 -4.73 118.94 118.36 2qn3 s TRP 387 Ca 0.14 1.55 -0.31 0.00 0.02 0.00 0.00 56.10 57.50 2qn3 s TRP 387 Cb -0.21 -3.06 -0.13 0.00 -1.15 0.00 0.00 33.47 28.93 2qn3 s TRP 387 CO -0.12 -0.05 1.55 -2.30 0.02 0.00 0.00 176.95 176.05 2qn3 n PRO 388 N 4.17 2.43 -0.22 4.98 -0.02 -1.26 -0.49 135.00 144.59 2qn3 n PRO 388 Ca 0.05 0.87 0.04 0.00 -2.02 0.00 0.00 63.50 62.44 2qn3 n PRO 388 Cb 0.50 -2.62 0.29 0.00 -0.02 0.00 0.00 33.50 31.66 2qn3 n PRO 388 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2qn3 h VAL 389 N 3.35 1.09 -0.13 -1.45 2.07 -1.51 -2.42 116.25 117.24 2qn3 h VAL 389 Ca -0.46 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.72 2qn3 h VAL 389 Cb 1.24 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2qn3 h VAL 389 CO 0.82 0.17 -0.06 1.12 0.02 0.00 0.00 177.57 179.63 2qn3 h HIS 390 N 0.91 0.19 -0.12 1.57 2.07 -1.90 0.10 115.15 117.97 2qn3 h HIS 390 Ca 0.32 -0.01 -0.02 0.00 -2.85 0.00 0.00 60.37 57.81 2qn3 h HIS 390 Cb 0.12 -0.06 -0.00 0.00 2.57 0.00 0.00 27.41 30.04 2qn3 h HIS 390 CO -0.00 0.26 0.00 -0.07 -3.07 0.00 0.00 177.93 175.05 2qn3 h LEU 391 N 0.19 0.21 -0.92 6.12 3.38 -1.82 -2.80 115.31 119.67 2qn3 h LEU 391 Ca 0.04 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 2qn3 h LEU 391 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2qn3 h LEU 391 CO 0.01 0.46 -0.29 -0.07 0.09 0.00 0.00 178.44 178.65 2qn3 h LEU 392 N -0.05 0.46 -0.57 1.67 3.38 -1.38 -1.01 115.31 117.81 2qn3 h LEU 392 Ca 0.03 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.88 2qn3 h LEU 392 Cb 0.35 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2qn3 h LEU 392 CO 0.01 0.73 0.32 -0.08 0.09 0.00 0.00 178.44 179.50 2qn3 h GLU 393 N 0.39 0.59 0.08 1.13 4.81 -0.82 0.13 114.58 120.89 2qn3 h GLU 393 Ca 0.05 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2qn3 h GLU 393 Cb 0.70 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.96 2qn3 h GLU 393 CO 0.05 0.39 -0.44 1.15 -0.73 0.00 0.00 179.01 179.43 2qn3 h THR 394 N 0.61 1.64 0.16 0.32 2.02 -1.33 -3.31 112.91 113.02 2qn3 h THR 394 Ca 0.24 -2.45 -0.26 0.00 0.77 0.00 0.00 66.41 64.72 2qn3 h THR 394 Cb 0.11 3.29 0.03 0.00 -1.74 0.00 0.00 68.15 69.84 2qn3 h THR 394 CO -0.14 0.67 -1.10 0.25 0.37 0.00 0.00 175.52 175.57 2qn3 h LEU 395 N -0.66 0.69 -5.97 2.58 5.85 -1.20 -3.37 115.31 113.23 2qn3 h LEU 395 Ca -0.08 -0.89 -0.54 0.00 0.84 0.00 0.00 57.88 57.21 2qn3 h LEU 395 Cb 1.35 -0.22 -0.40 0.00 0.37 0.00 0.00 40.66 41.76 2qn3 h LEU 395 CO 0.08 1.53 -1.03 0.18 -0.34 0.00 0.00 178.44 178.86 2qn3 n LEU 396 N -3.94 1.23 -0.05 2.25 4.77 0.43 -0.54 117.00 121.15 2qn3 n LEU 396 Ca -0.14 -4.97 0.04 0.00 -0.03 0.00 0.00 56.01 50.91 2qn3 n LEU 396 Cb 0.93 0.38 0.40 0.00 -2.33 0.00 0.00 43.42 42.81 2qn3 n LEU 396 CO 0.54 2.16 1.18 1.55 -1.33 0.00 0.00 177.39 181.49 2qn3 h PRO 397 N 3.63 0.60 -0.15 3.23 0.13 -1.62 -2.14 132.00 135.68 2qn3 h PRO 397 Ca 0.10 -0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.99 2qn3 h PRO 397 Cb 0.85 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.84 2qn3 h PRO 397 CO 0.55 0.40 -0.72 -0.09 -0.23 0.00 0.00 178.00 177.91 2qn3 h ARG 398 N 0.62 0.68 -0.65 0.86 9.65 -1.91 -3.00 114.38 120.64 2qn3 h ARG 398 Ca 0.19 -0.53 -0.05 0.00 -1.10 0.00 0.00 59.98 58.49 2qn3 h ARG 398 Cb 0.01 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 2qn3 h ARG 398 CO -0.05 1.15 0.21 0.45 2.80 0.00 0.00 179.97 184.53 2qn3 h HIS 399 N 0.48 1.01 -0.52 2.20 3.86 -1.76 -1.83 115.15 118.59 2qn3 h HIS 399 Ca -0.03 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 2qn3 h HIS 399 Cb 1.32 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.47 2qn3 h HIS 399 CO 0.07 0.81 0.34 1.25 0.86 0.00 0.00 177.93 181.26 2qn3 h LEU 400 N 0.95 0.60 -0.55 2.43 6.46 -1.43 0.00 115.31 123.78 2qn3 h LEU 400 Ca 0.21 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.97 2qn3 h LEU 400 Cb 0.27 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 2qn3 h LEU 400 CO -0.01 0.44 0.34 1.56 -0.62 0.00 0.00 178.44 180.15 2qn3 h GLN 401 N 0.70 0.65 -0.65 1.25 4.20 -1.33 -0.89 115.11 119.04 2qn3 h GLN 401 Ca 0.19 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.80 2qn3 h GLN 401 Cb -0.07 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.53 2qn3 h GLN 401 CO -0.04 0.43 0.16 0.82 -0.67 0.00 0.00 178.83 179.53 2qn3 h ILE 402 N 0.67 1.26 -0.75 2.54 2.04 -1.00 -2.13 117.51 120.14 2qn3 h ILE 402 Ca 0.22 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 65.13 2qn3 h ILE 402 Cb 0.00 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2qn3 h ILE 402 CO -0.09 0.35 0.41 0.40 0.00 0.00 0.00 178.15 179.22 2qn3 h ILE 403 N 0.95 1.23 -0.88 -0.67 2.04 -0.72 0.09 117.51 119.54 2qn3 h ILE 403 Ca 0.20 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 2qn3 h ILE 403 Cb 0.36 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 2qn3 h ILE 403 CO 0.00 0.25 0.48 1.88 0.00 0.00 0.00 178.15 180.77 2qn3 h TYR 404 N 1.04 1.21 -0.40 1.37 0.05 -0.94 -0.78 116.97 118.53 2qn3 h TYR 404 Ca 0.26 -0.03 -0.14 0.00 0.05 0.00 0.00 58.73 58.87 2qn3 h TYR 404 Cb 0.04 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.39 2qn3 h TYR 404 CO 0.00 0.84 -0.30 1.49 -1.05 0.00 0.00 178.16 179.14 2qn3 h GLU 405 N 1.23 0.91 -0.31 4.88 4.57 -1.02 -1.68 114.58 123.16 2qn3 h GLU 405 Ca 0.31 -0.44 0.03 0.00 -1.18 0.00 0.00 59.36 58.07 2qn3 h GLU 405 Cb 0.03 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 2qn3 h GLU 405 CO -0.05 1.10 0.14 0.82 -1.18 0.00 0.00 179.01 179.84 2qn3 h ILE 406 N 0.72 0.96 -0.25 2.32 2.04 -0.78 -2.37 117.51 120.15 2qn3 h ILE 406 Ca 0.07 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2qn3 h ILE 406 Cb 0.89 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2qn3 h ILE 406 CO 0.08 0.05 0.15 -1.13 0.00 0.00 0.00 178.15 177.31 2qn3 h ASN 407 N 0.29 0.26 -0.28 1.72 -1.24 -0.99 -0.39 115.58 114.96 2qn3 h ASN 407 Ca 0.13 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.16 2qn3 h ASN 407 Cb 0.07 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2qn3 h ASN 407 CO -0.11 0.19 0.14 -0.61 -1.29 0.00 0.00 177.43 175.75 2qn3 h GLN 408 N 0.32 0.28 -0.45 6.67 4.15 -1.24 0.17 115.11 125.02 2qn3 h GLN 408 Ca 0.10 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.40 2qn3 h GLN 408 Cb -0.02 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 2qn3 h GLN 408 CO -0.03 0.19 -0.10 0.00 -1.93 0.00 0.00 178.83 176.95 2qn3 h ARG 409 N 0.29 0.80 -0.08 1.69 3.08 -1.26 -1.68 114.38 117.22 2qn3 h ARG 409 Ca 0.11 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 2qn3 h ARG 409 Cb 0.03 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qn3 h ARG 409 CO -0.08 0.87 -0.01 0.35 -1.07 0.00 0.00 179.97 180.04 2qn3 h PHE 410 N 0.73 0.17 0.00 3.04 3.57 -0.80 -2.94 116.94 120.70 2qn3 h PHE 410 Ca 0.12 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 2qn3 h PHE 410 Cb 0.59 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 2qn3 h PHE 410 CO 0.03 0.44 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.31 2qn3 h LEU 411 N -0.16 0.00 -0.86 0.59 3.38 -0.91 -1.55 115.31 115.81 2qn3 h LEU 411 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2qn3 h LEU 411 Cb 0.38 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 2qn3 h LEU 411 CO 0.01 0.17 0.22 0.78 0.09 0.00 0.00 178.44 179.71 2qn3 h ASN 412 N 0.00 1.00 -0.47 -0.43 -0.26 -1.24 -1.10 115.58 113.09 2qn3 h ASN 412 Ca -0.00 -0.18 -0.13 0.00 -0.56 0.00 0.00 56.30 55.43 2qn3 h ASN 412 Cb 0.38 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 2qn3 h ASN 412 CO 0.02 0.93 -0.21 0.03 -1.06 0.00 0.00 177.43 177.14 2qn3 h ARG 413 N 1.03 0.98 -0.28 0.81 3.08 -1.13 -2.45 114.38 116.42 2qn3 h ARG 413 Ca 0.23 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.85 2qn3 h ARG 413 Cb 0.28 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2qn3 h ARG 413 CO -0.01 1.08 0.10 0.28 -1.07 0.00 0.00 179.97 180.36 2qn3 h VAL 414 N 0.85 1.18 -0.28 2.04 2.07 -1.20 -1.72 116.25 119.18 2qn3 h VAL 414 Ca 0.11 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2qn3 h VAL 414 Cb 0.78 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2qn3 h VAL 414 CO 0.06 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.94 2qn3 h ALA 415 N 0.94 1.64 -0.01 1.67 0.00 -1.20 0.72 119.26 123.02 2qn3 h ALA 415 Ca 0.09 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 2qn3 h ALA 415 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2qn3 h ALA 415 CO -0.01 0.29 -0.79 0.00 0.00 0.00 0.00 179.25 178.74 2qn3 h ALA 416 N 1.71 0.65 0.03 0.00 0.00 -1.23 -3.03 119.26 117.39 2qn3 h ALA 416 Ca 0.10 -0.68 -0.25 0.00 0.00 0.00 0.00 54.91 54.07 2qn3 h ALA 416 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 2qn3 h ALA 416 CO -0.01 0.89 -1.30 0.00 0.00 0.00 0.00 179.25 178.83 2qn3 h ALA 417 N 1.09 0.42 -2.11 0.00 0.00 -0.70 -3.40 119.26 114.57 2qn3 h ALA 417 Ca -0.03 -1.09 -0.58 0.00 0.00 0.00 0.00 54.91 53.22 2qn3 h ALA 417 Cb 1.39 0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.88 2qn3 h ALA 417 CO 0.12 1.29 -0.91 1.19 0.00 0.00 0.00 179.25 180.94 2qn3 n PHE 418 N -3.31 1.11 -1.97 0.00 3.72 0.19 -5.10 117.46 112.10 2qn3 n PHE 418 Ca -0.08 -3.78 -0.42 0.00 -0.05 0.00 0.00 57.45 53.13 2qn3 n PHE 418 Cb 0.99 -0.41 -0.02 0.00 -0.94 0.00 0.00 39.48 39.11 2qn3 n PHE 418 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2qn3 s PRO 419 N -1.60 4.24 0.00 -1.08 0.02 -1.14 -2.44 135.00 132.99 2qn3 s PRO 419 Ca 0.36 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.73 2qn3 s PRO 419 Cb 0.15 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.56 2qn3 s PRO 419 CO -0.08 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 2qn3 n GLY 420 N 2.57 2.05 3.55 0.52 0.00 -1.26 -4.97 105.19 107.65 2qn3 n GLY 420 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2qn3 n GLY 420 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qn3 s ASP 421 N -2.91 6.76 0.24 1.61 3.68 -1.02 -4.80 116.67 120.23 2qn3 s ASP 421 Ca 0.00 -2.22 0.02 0.00 2.13 0.00 0.00 52.55 52.48 2qn3 s ASP 421 Cb 0.00 -2.55 0.27 0.00 -1.45 0.00 0.00 42.92 39.19 2qn3 s ASP 421 CO 0.00 -1.21 1.59 -0.37 0.13 0.00 0.00 175.17 175.31 2qn3 h VAL 422 N 5.81 1.33 -0.11 1.11 -1.51 -1.93 -3.07 116.25 117.89 2qn3 h VAL 422 Ca 0.35 -1.74 -0.12 0.00 -1.23 0.00 0.00 66.70 63.97 2qn3 h VAL 422 Cb 0.92 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.84 2qn3 h VAL 422 CO 1.41 0.53 -0.45 -0.78 -1.23 0.00 0.00 177.57 177.05 2qn3 h ASP 423 N 0.30 0.27 -0.70 4.19 3.58 -2.00 -2.73 116.42 119.33 2qn3 h ASP 423 Ca 0.01 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 2qn3 h ASP 423 Cb 0.99 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 2qn3 h ASP 423 CO 0.08 0.69 0.41 -0.09 -2.88 0.00 0.00 179.24 177.46 2qn3 h ARG 424 N 0.21 0.95 -0.59 0.28 2.43 -1.95 -1.05 114.38 114.67 2qn3 h ARG 424 Ca 0.01 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2qn3 h ARG 424 Cb 0.88 -0.20 -0.05 0.00 -0.42 0.00 0.00 29.97 30.18 2qn3 h ARG 424 CO 0.07 0.69 0.31 -0.07 -1.51 0.00 0.00 179.97 179.45 2qn3 h LEU 425 N 0.95 0.44 -0.49 3.80 3.38 -1.42 0.65 115.31 122.62 2qn3 h LEU 425 Ca 0.25 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.08 2qn3 h LEU 425 Cb -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qn3 h LEU 425 CO -0.05 0.29 -0.73 0.08 0.09 0.00 0.00 178.44 178.12 2qn3 h ARG 426 N 0.58 0.17 -0.47 1.13 -0.00 -1.32 -2.61 114.38 111.86 2qn3 h ARG 426 Ca 0.26 -0.15 -0.10 0.00 -0.00 0.00 0.00 59.98 59.99 2qn3 h ARG 426 Cb 0.17 0.03 -0.02 0.00 -0.00 0.00 0.00 29.97 30.16 2qn3 h ARG 426 CO -0.18 0.83 -0.13 0.00 -0.00 0.00 0.00 179.97 180.49 2qn3 h ARG 427 N 0.11 0.87 0.00 0.08 3.08 -0.66 -3.25 114.38 114.60 2qn3 h ARG 427 Ca -0.02 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2qn3 h ARG 427 Cb 1.30 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2qn3 h ARG 427 CO 0.11 0.95 -0.58 -1.33 -1.07 0.00 0.00 179.97 178.05 2qn3 n MET 428 N -4.15 0.11 -1.72 0.04 2.81 0.17 -4.95 117.12 109.44 2qn3 n MET 428 Ca 0.01 0.02 -0.41 0.00 -1.81 0.00 0.00 57.70 55.51 2qn3 n MET 428 Cb 0.39 -1.56 0.01 0.00 -0.71 0.00 0.00 33.22 31.34 2qn3 n MET 428 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2qn3 n SER 429 N -1.72 2.85 0.20 7.83 2.88 -0.99 -4.89 113.62 119.78 2qn3 n SER 429 Ca 0.05 1.15 0.06 0.00 -1.33 0.00 0.00 58.87 58.80 2qn3 n SER 429 Cb 0.37 -1.52 0.38 0.00 -0.75 0.00 0.00 64.21 62.69 2qn3 n SER 429 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2qn3 h LEU 430 N 2.33 0.00 -8.97 2.46 3.38 -1.91 -3.42 115.31 109.17 2qn3 h LEU 430 Ca -0.48 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.86 2qn3 h LEU 430 Cb 1.28 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.89 2qn3 h LEU 430 CO 0.61 0.34 -0.31 -0.69 0.09 0.00 0.00 178.44 178.48 2qn3 s VAL 431 N -3.69 5.22 -0.19 1.22 1.01 -1.26 -0.30 120.40 122.41 2qn3 s VAL 431 Ca -0.00 0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.32 2qn3 s VAL 431 Cb 0.11 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2qn3 s VAL 431 CO 0.68 0.20 0.30 -1.61 0.00 0.00 0.00 175.10 174.67 2qn3 s GLU 432 N 1.81 4.20 0.51 2.72 2.02 1.00 -4.97 118.70 125.98 2qn3 s GLU 432 Ca 0.13 0.06 -0.07 0.00 0.02 0.00 0.00 54.97 55.12 2qn3 s GLU 432 Cb -0.15 -3.48 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2qn3 s GLU 432 CO 0.09 0.12 0.84 -1.21 0.02 0.00 0.00 175.26 175.12 2qn3 s GLU 433 N 0.85 3.57 0.00 1.61 8.01 -1.26 -2.00 118.70 129.48 2qn3 s GLU 433 Ca 0.16 0.33 0.00 0.00 0.01 0.00 0.00 54.97 55.47 2qn3 s GLU 433 Cb -0.14 -2.31 0.00 0.00 -4.31 0.00 0.00 34.13 27.37 2qn3 s GLU 433 CO 0.05 -0.27 0.00 0.41 0.01 0.00 0.00 175.26 175.46 2qn3 n GLY 434 N -2.30 -0.03 0.38 -1.39 0.00 -1.26 -4.92 105.19 95.66 2qn3 n GLY 434 Ca 0.02 -1.37 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 2qn3 n GLY 434 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qn3 h ALA 435 N 0.00 -0.53 -3.43 4.61 0.00 -2.07 -3.38 119.26 114.46 2qn3 h ALA 435 Ca 0.00 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 54.24 2qn3 h ALA 435 Cb 0.00 0.70 -0.26 0.00 0.00 0.00 0.00 17.79 18.23 2qn3 h ALA 435 CO 0.00 -0.88 -0.75 0.14 0.00 0.00 0.00 179.25 177.75 2qn3 s VAL 436 N -5.94 3.15 0.26 0.00 -7.23 -1.26 -5.11 120.40 104.27 2qn3 s VAL 436 Ca -0.16 -0.64 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 2qn3 s VAL 436 Cb 0.09 -2.31 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 2qn3 s VAL 436 CO 0.65 0.53 1.22 -0.54 -0.31 0.00 0.00 175.10 176.65 2qn3 s LYS 437 N 0.16 4.48 0.07 4.82 1.02 -1.26 -4.84 119.74 124.19 2qn3 s LYS 437 Ca -0.06 1.99 0.03 0.00 0.02 0.00 0.00 55.97 57.94 2qn3 s LYS 437 Cb -0.15 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.96 2qn3 s LYS 437 CO 0.05 -0.05 -0.09 1.03 -0.92 0.00 0.00 175.35 175.36 2qn3 s ARG 438 N -1.04 0.72 -0.23 1.68 0.52 -0.85 -1.22 118.95 118.53 2qn3 s ARG 438 Ca 0.50 -1.00 -0.13 0.00 -0.52 0.00 0.00 55.73 54.59 2qn3 s ARG 438 Cb -0.35 -0.44 -0.05 0.00 0.52 0.00 0.00 34.95 34.64 2qn3 s ARG 438 CO 0.43 0.07 0.25 0.42 0.02 0.00 0.00 175.30 176.49 2qn3 s ILE 439 N -2.02 5.29 -0.53 1.52 -1.09 0.36 -0.00 121.20 124.73 2qn3 s ILE 439 Ca -0.01 0.39 -0.26 0.00 -2.23 0.00 0.00 60.65 58.54 2qn3 s ILE 439 Cb -0.06 -3.59 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 2qn3 s ILE 439 CO -0.00 0.30 1.05 0.21 -1.23 0.00 0.00 174.94 175.27 2qn3 s ASN 440 N 1.07 6.45 0.40 3.58 3.84 0.59 -1.81 114.94 129.06 2qn3 s ASN 440 Ca 0.12 0.00 0.19 0.00 0.21 0.00 0.00 52.86 53.39 2qn3 s ASN 440 Cb -0.14 -2.49 0.84 0.00 -0.55 0.00 0.00 41.25 38.91 2qn3 s ASN 440 CO 0.06 -1.28 1.82 0.24 -2.79 0.00 0.00 177.10 175.15 2qn3 h MET 441 N 9.33 0.00 -0.54 0.43 2.86 -1.74 -2.44 114.93 122.83 2qn3 h MET 441 Ca -0.25 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.28 2qn3 h MET 441 Cb 1.07 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 2qn3 h MET 441 CO 1.11 0.32 -0.09 0.00 1.06 0.00 0.00 176.91 179.31 2qn3 h ALA 442 N 1.68 0.73 -0.54 6.32 0.00 -1.91 -1.76 119.26 123.78 2qn3 h ALA 442 Ca -0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2qn3 h ALA 442 Cb 0.74 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2qn3 h ALA 442 CO 0.04 0.64 -0.03 0.45 0.00 0.00 0.00 179.25 180.35 2qn3 h HIS 443 N 0.88 1.02 -0.49 0.00 3.86 -1.86 -1.87 115.15 116.70 2qn3 h HIS 443 Ca 0.14 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2qn3 h HIS 443 Cb 0.66 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 2qn3 h HIS 443 CO 0.05 0.93 0.28 1.25 0.86 0.00 0.00 177.93 181.30 2qn3 h LEU 444 N 0.86 0.44 -0.57 2.43 6.46 -1.30 -2.23 115.31 121.40 2qn3 h LEU 444 Ca 0.15 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.86 2qn3 h LEU 444 Cb 0.54 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.37 2qn3 h LEU 444 CO 0.03 0.31 0.09 0.00 -0.62 0.00 0.00 178.44 178.25 2qn3 h ILE 446 N 0.84 1.22 -0.66 0.00 2.04 -1.26 -2.12 117.51 117.57 2qn3 h ILE 446 Ca 0.17 -0.70 0.01 0.00 1.00 0.00 0.00 64.86 65.34 2qn3 h ILE 446 Cb 0.42 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2qn3 h ILE 446 CO 0.01 0.22 0.44 0.00 0.00 0.00 0.00 178.15 178.82 2qn3 h ALA 447 N 0.84 1.52 -0.66 1.87 0.00 -1.34 -3.13 119.26 118.36 2qn3 h ALA 447 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qn3 h ALA 447 Cb 0.29 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qn3 h ALA 447 CO 0.00 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2qn3 n GLY 448 N -1.43 2.63 3.34 0.00 0.00 -0.75 -4.95 105.19 104.03 2qn3 n GLY 448 Ca 0.07 -0.76 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 2qn3 n GLY 448 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qn3 s SER 449 N -1.00 2.99 0.10 1.61 0.01 -0.81 -3.99 113.70 112.61 2qn3 s SER 449 Ca 0.46 -0.67 0.25 0.00 1.31 0.00 0.00 55.95 57.31 2qn3 s SER 449 Cb 0.26 -0.21 0.60 0.00 0.21 0.00 0.00 66.02 66.88 2qn3 s SER 449 CO 0.29 0.17 1.52 0.00 0.41 0.00 0.00 173.24 175.63 2qn3 n HIS 450 N 1.28 0.46 -3.80 2.43 1.44 -0.69 -4.85 115.22 111.49 2qn3 n HIS 450 Ca -0.18 0.13 -0.13 0.00 -2.01 0.00 0.00 57.72 55.54 2qn3 n HIS 450 Cb 0.53 -0.62 -0.13 0.00 0.12 0.00 0.00 29.99 29.89 2qn3 n HIS 450 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qn3 s ALA 451 N -3.10 -0.31 -0.08 1.59 0.00 -1.26 -4.54 121.76 114.06 2qn3 s ALA 451 Ca 0.09 0.48 0.01 0.00 0.00 0.00 0.00 51.96 52.54 2qn3 s ALA 451 Cb 0.15 -0.30 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2qn3 s ALA 451 CO 0.66 -0.09 -0.09 0.08 0.00 0.00 0.00 175.76 176.32 2qn3 s VAL 452 N 0.43 0.97 0.04 0.00 1.01 0.48 -1.22 120.40 122.11 2qn3 s VAL 452 Ca -0.03 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.69 2qn3 s VAL 452 Cb -0.04 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2qn3 s VAL 452 CO -0.02 0.34 -0.16 0.54 0.00 0.00 0.00 175.10 175.80 2qn3 s ASN 453 N 1.21 1.90 0.72 3.32 4.22 -0.64 -0.36 114.94 125.31 2qn3 s ASN 453 Ca -0.05 -0.47 -0.01 0.00 -2.14 0.00 0.00 52.86 50.19 2qn3 s ASN 453 Cb -0.14 -0.14 0.12 0.00 1.28 0.00 0.00 41.25 42.38 2qn3 s ASN 453 CO -0.02 0.07 0.99 -0.83 -2.04 0.00 0.00 177.10 175.27 2qn3 s GLY 454 N -1.14 1.76 0.00 0.45 0.00 -1.04 -1.75 107.32 105.59 2qn3 s GLY 454 Ca 0.03 -1.71 0.07 0.00 0.00 0.00 0.00 44.72 43.11 2qn3 s GLY 454 CO 0.01 -1.15 0.88 3.33 0.00 0.00 0.00 173.10 176.17 2qn3 n VAL 455 N -2.83 0.37 -3.49 1.40 0.24 -1.26 -2.03 118.33 110.74 2qn3 n VAL 455 Ca 0.15 -0.69 -0.14 0.00 -2.04 0.00 0.00 64.34 61.62 2qn3 n VAL 455 Cb 0.61 0.90 -0.04 0.00 -1.47 0.00 0.00 33.84 33.84 2qn3 n VAL 455 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qn3 s ALA 456 N -0.73 -1.58 0.17 2.33 0.00 -1.26 -0.80 121.76 119.90 2qn3 s ALA 456 Ca 0.10 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.68 2qn3 s ALA 456 Cb 0.06 0.49 0.14 0.00 0.00 0.00 0.00 23.12 23.81 2qn3 s ALA 456 CO 0.09 -0.58 1.72 -0.09 0.00 0.00 0.00 175.76 176.90 2qn3 h ARG 457 N 2.49 0.21 -0.69 0.00 2.43 -1.90 -0.24 114.38 116.68 2qn3 h ARG 457 Ca -0.31 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 58.79 2qn3 h ARG 457 Cb 1.23 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 2qn3 h ARG 457 CO 0.39 0.14 0.20 0.97 -1.51 0.00 0.00 179.97 180.16 2qn3 h ILE 458 N 0.21 1.25 -0.08 1.20 2.10 -1.91 -1.95 117.51 118.33 2qn3 h ILE 458 Ca 0.21 -0.90 -0.01 0.00 1.08 0.00 0.00 64.86 65.25 2qn3 h ILE 458 Cb 0.27 0.51 -0.00 0.00 -1.09 0.00 0.00 36.82 36.51 2qn3 h ILE 458 CO -0.28 0.35 0.02 -0.74 -1.08 0.00 0.00 178.15 176.42 2qn3 h HIS 459 N 1.03 0.14 -0.46 2.19 2.76 -1.59 -1.12 115.15 118.09 2qn3 h HIS 459 Ca 0.22 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2qn3 h HIS 459 Cb 0.31 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.21 2qn3 h HIS 459 CO 0.02 0.29 0.25 0.77 -1.30 0.00 0.00 177.93 177.96 2qn3 h SER 460 N -0.06 0.56 -0.36 3.26 0.02 -0.92 -1.03 113.55 115.01 2qn3 h SER 460 Ca 0.03 -0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.81 2qn3 h SER 460 Cb 0.22 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2qn3 h SER 460 CO -0.00 0.46 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.53 2qn3 h GLU 461 N 0.64 0.84 -0.70 3.45 4.39 -1.21 -2.95 114.58 119.04 2qn3 h GLU 461 Ca 0.17 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 2qn3 h GLU 461 Cb 0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2qn3 h GLU 461 CO -0.03 1.06 0.38 0.82 -1.16 0.00 0.00 179.01 180.08 2qn3 h ILE 462 N 0.63 1.21 -0.66 3.13 2.04 -0.50 -1.87 117.51 121.49 2qn3 h ILE 462 Ca 0.07 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.41 2qn3 h ILE 462 Cb 0.87 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 2qn3 h ILE 462 CO 0.08 0.23 0.43 -0.07 0.00 0.00 0.00 178.15 178.82 2qn3 h LEU 463 N 0.97 0.77 -0.70 1.44 3.38 -1.16 0.67 115.31 120.69 2qn3 h LEU 463 Ca 0.25 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 2qn3 h LEU 463 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2qn3 h LEU 463 CO -0.04 0.56 -0.43 0.11 0.09 0.00 0.00 178.44 178.74 2qn3 h LYS 464 N 0.90 0.00 0.00 1.13 1.57 -1.29 -1.54 116.57 117.34 2qn3 h LYS 464 Ca 0.24 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.82 2qn3 h LYS 464 Cb -0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 2qn3 h LYS 464 CO -0.05 0.43 -1.76 1.63 -0.57 0.00 0.00 179.45 179.13 2qn3 n LYS 465 N -3.46 0.64 0.00 3.15 5.02 -0.74 -3.94 118.16 118.84 2qn3 n LYS 465 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2qn3 n LYS 465 Cb 0.58 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2qn3 n LYS 465 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2qn3 n THR 466 N -2.78 0.00 0.23 -0.18 -2.24 0.21 -4.74 114.28 104.79 2qn3 n THR 466 Ca -0.15 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.70 2qn3 n THR 466 Cb 0.90 -0.01 0.54 0.00 -2.10 0.00 0.00 70.33 69.66 2qn3 n THR 466 CO 0.00 0.00 0.00 0.16 -0.57 0.00 0.00 175.07 174.66 2qn3 h ILE 467 N 0.00 0.97 -0.19 2.28 3.07 -1.69 -2.34 117.51 119.60 2qn3 h ILE 467 Ca 0.00 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 65.67 2qn3 h ILE 467 Cb 0.00 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 37.97 2qn3 h ILE 467 CO 0.00 0.20 0.00 0.49 -1.05 0.00 0.00 178.15 177.79 2qn3 n PHE 468 N -4.04 0.68 -0.18 0.16 0.99 -0.58 -4.79 117.46 109.69 2qn3 n PHE 468 Ca -0.02 -0.89 -0.01 0.00 -0.00 0.00 0.00 57.45 56.53 2qn3 n PHE 468 Cb 0.28 -0.26 0.08 0.00 -1.00 0.00 0.00 39.48 38.58 2qn3 n PHE 468 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2qn3 h LYS 469 N 1.33 0.17 -0.80 -1.08 3.64 -1.40 -0.92 116.57 117.51 2qn3 h LYS 469 Ca 0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2qn3 h LYS 469 Cb 1.30 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.03 2qn3 h LYS 469 CO 0.16 0.11 0.51 -0.44 -2.27 0.00 0.00 179.45 177.52 2qn3 h ASP 470 N 0.17 0.85 -0.34 4.20 3.32 -1.87 -1.68 116.42 121.07 2qn3 h ASP 470 Ca 0.29 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.19 2qn3 h ASP 470 Cb 0.43 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 2qn3 h ASP 470 CO -0.42 0.58 -0.32 -0.26 -1.72 0.00 0.00 179.24 177.10 2qn3 h PHE 471 N 0.99 1.02 -0.73 4.55 0.04 -1.76 -2.54 116.94 118.53 2qn3 h PHE 471 Ca 0.32 -0.28 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 2qn3 h PHE 471 Cb 0.01 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 37.90 2qn3 h PHE 471 CO -0.03 1.07 0.33 -0.92 -0.60 0.00 0.00 178.31 178.16 2qn3 h TYR 472 N 0.73 1.05 -0.43 -0.55 3.20 -0.86 -0.42 116.97 119.69 2qn3 h TYR 472 Ca 0.08 -0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 2qn3 h TYR 472 Cb 0.88 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 2qn3 h TYR 472 CO 0.05 0.77 -0.12 0.93 -1.64 0.00 0.00 178.16 178.16 2qn3 h GLU 473 N 1.04 0.77 -0.07 1.82 5.08 -1.14 -2.12 114.58 119.96 2qn3 h GLU 473 Ca 0.25 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2qn3 h GLU 473 Cb 0.13 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2qn3 h GLU 473 CO -0.03 0.85 -0.26 1.25 -1.00 0.00 0.00 179.01 179.83 2qn3 h LEU 474 N 0.69 0.34 -6.36 1.33 5.85 -1.22 -3.41 115.31 112.54 2qn3 h LEU 474 Ca 0.12 -0.63 -0.59 0.00 0.84 0.00 0.00 57.88 57.62 2qn3 h LEU 474 Cb 0.60 -0.10 -0.39 0.00 0.37 0.00 0.00 40.66 41.13 2qn3 h LEU 474 CO 0.04 0.91 -0.93 -0.62 -0.34 0.00 0.00 178.44 177.50 2qn3 n GLU 475 N -4.49 0.67 0.13 1.25 1.02 -0.19 -4.99 120.64 114.05 2qn3 n GLU 475 Ca -0.08 -3.45 0.03 0.00 -0.02 0.00 0.00 57.16 53.64 2qn3 n GLU 475 Cb 0.46 -1.68 0.41 0.00 -0.02 0.00 0.00 31.44 30.61 2qn3 n GLU 475 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2qn3 h PRO 476 N 5.11 0.22 0.00 3.49 0.13 -1.60 -2.81 132.00 136.54 2qn3 h PRO 476 Ca 0.20 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 2qn3 h PRO 476 Cb 0.87 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 2qn3 h PRO 476 CO 0.47 0.35 -0.05 1.12 -0.23 0.00 0.00 178.00 179.66 2qn3 h HIS 477 N 0.21 0.00 0.00 1.56 2.07 -1.94 -2.84 115.15 114.21 2qn3 h HIS 477 Ca 0.04 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.47 2qn3 h HIS 477 Cb 0.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 2qn3 h HIS 477 CO 0.00 0.05 -0.44 -0.22 -3.07 0.00 0.00 177.93 174.25 2qn3 h LYS 478 N 0.00 0.00 -5.67 5.12 3.64 -1.73 -3.45 116.57 114.48 2qn3 h LYS 478 Ca -0.00 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.79 2qn3 h LYS 478 Cb 0.22 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 2qn3 h LYS 478 CO 0.01 0.44 -0.04 -0.06 -2.27 0.00 0.00 179.45 177.52 2qn3 s PHE 479 N -3.77 3.44 0.22 1.91 0.08 -1.07 -0.39 117.98 118.41 2qn3 s PHE 479 Ca -0.01 0.88 0.02 0.00 0.12 0.00 0.00 56.93 57.93 2qn3 s PHE 479 Cb 0.12 -2.65 -0.05 0.00 -0.57 0.00 0.00 43.02 39.87 2qn3 s PHE 479 CO 0.71 0.01 0.05 -0.65 -0.10 0.00 0.00 175.22 175.24 2qn3 s GLN 480 N 1.22 1.29 -0.05 0.44 -0.21 0.51 -4.96 119.66 117.91 2qn3 s GLN 480 Ca 0.26 -1.67 0.05 0.00 0.02 0.00 0.00 55.36 54.03 2qn3 s GLN 480 Cb -0.16 -0.28 -0.02 0.00 1.00 0.00 0.00 33.01 33.55 2qn3 s GLN 480 CO 0.11 -0.22 -0.19 1.21 -2.12 0.00 0.00 175.29 174.08 2qn3 s ASN 481 N -3.26 3.65 -0.35 5.90 3.04 -1.26 -2.50 114.94 120.15 2qn3 s ASN 481 Ca 0.32 -0.31 -0.00 0.00 0.04 0.00 0.00 52.86 52.90 2qn3 s ASN 481 Cb 0.07 -0.73 0.13 0.00 -1.54 0.00 0.00 41.25 39.18 2qn3 s ASN 481 CO 0.10 0.32 0.19 -0.54 -3.04 0.00 0.00 177.10 174.12 2qn3 s LYS 482 N -0.59 0.63 0.24 0.43 -0.14 -0.86 -4.95 119.74 114.50 2qn3 s LYS 482 Ca 0.09 -1.27 -0.31 0.00 -1.36 0.00 0.00 55.97 53.11 2qn3 s LYS 482 Cb -0.11 -1.53 -0.12 0.00 -1.68 0.00 0.00 37.83 34.40 2qn3 s LYS 482 CO 0.01 -1.14 1.66 0.99 -0.76 0.00 0.00 175.35 176.10 2qn3 s THR 483 N 1.19 2.08 1.07 2.17 2.01 -1.26 -4.25 115.64 118.66 2qn3 s THR 483 Ca 0.15 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.09 2qn3 s THR 483 Cb -0.21 -3.04 0.20 0.00 0.01 0.00 0.00 72.50 69.46 2qn3 s THR 483 CO -0.09 0.01 0.87 0.59 -0.69 0.00 0.00 174.62 175.31 2qn3 n ASN 484 N 3.22 -1.23 -3.37 3.53 5.03 0.02 -4.65 115.26 117.82 2qn3 n ASN 484 Ca 0.12 0.06 -0.11 0.00 0.87 0.00 0.00 54.58 55.52 2qn3 n ASN 484 Cb 0.36 -1.28 -0.02 0.00 -1.02 0.00 0.00 39.78 37.81 2qn3 n ASN 484 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2qn3 s GLY 485 N -2.37 0.88 0.11 7.41 0.00 -1.26 -4.81 107.32 107.28 2qn3 s GLY 485 Ca 0.66 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 44.33 2qn3 s GLY 485 CO 0.63 -0.68 -0.13 -0.26 0.00 0.00 0.00 173.10 172.67 2qn3 s ILE 486 N -3.12 1.21 -0.08 0.90 -4.36 0.01 -4.52 121.20 111.25 2qn3 s ILE 486 Ca 0.23 -1.64 -0.30 0.00 -0.26 0.00 0.00 60.65 58.69 2qn3 s ILE 486 Cb -0.02 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 42.24 2qn3 s ILE 486 CO 0.14 -0.42 1.00 0.28 0.24 0.00 0.00 174.94 176.18 2qn3 s THR 487 N -2.09 4.81 -1.37 8.37 -1.32 -1.26 -0.94 115.64 121.84 2qn3 s THR 487 Ca 0.07 2.04 0.20 0.00 -1.21 0.00 0.00 61.69 62.79 2qn3 s THR 487 Cb -0.05 -4.31 0.33 0.00 -1.51 0.00 0.00 72.50 66.96 2qn3 s THR 487 CO 0.02 0.05 1.65 -0.81 -2.21 0.00 0.00 174.62 173.32 2qn3 n PRO 488 N 4.71 0.25 0.08 7.08 -0.04 -1.26 -1.93 135.00 143.89 2qn3 n PRO 488 Ca 0.08 0.10 -0.04 0.00 -0.04 0.00 0.00 63.50 63.60 2qn3 n PRO 488 Cb 0.49 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.44 2qn3 n PRO 488 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qn3 h ARG 489 N 0.00 -0.24 -0.72 0.54 -0.00 -1.91 -2.54 114.38 109.51 2qn3 h ARG 489 Ca 0.00 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.48 2qn3 h ARG 489 Cb 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 29.97 30.20 2qn3 h ARG 489 CO 0.00 -0.16 0.37 -0.09 0.00 0.00 0.00 179.97 180.09 2qn3 h ARG 490 N -0.50 1.02 -0.42 0.04 2.43 -1.97 -0.42 114.38 114.56 2qn3 h ARG 490 Ca -0.03 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2qn3 h ARG 490 Cb 0.19 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2qn3 h ARG 490 CO 0.04 0.78 0.00 0.91 -1.51 0.00 0.00 179.97 180.19 2qn3 n TRP 491 N -4.45 0.55 0.08 2.20 7.02 -0.81 -2.90 117.44 119.13 2qn3 n TRP 491 Ca 0.06 -0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 2qn3 n TRP 491 Cb 0.11 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.00 2qn3 n TRP 491 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 2qn3 n LEU 492 N 0.98 -0.05 -0.10 -0.99 7.94 -0.99 -4.78 117.00 119.01 2qn3 n LEU 492 Ca 0.18 0.26 -0.09 0.00 -1.11 0.00 0.00 56.01 55.25 2qn3 n LEU 492 Cb 0.45 0.20 -0.01 0.00 0.53 0.00 0.00 43.42 44.59 2qn3 n LEU 492 CO 0.13 -0.66 0.97 0.58 -1.11 0.00 0.00 177.39 177.30 2qn3 h VAL 493 N 0.00 1.13 0.11 1.96 2.07 -1.15 0.17 116.25 120.54 2qn3 h VAL 493 Ca 0.00 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2qn3 h VAL 493 Cb 0.00 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2qn3 h VAL 493 CO 0.00 0.13 -0.05 0.25 0.02 0.00 0.00 177.57 177.92 2qn3 h LEU 494 N 0.42 -0.12 0.00 2.57 6.46 -1.22 -3.25 115.31 120.18 2qn3 h LEU 494 Ca 0.12 -0.40 -0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2qn3 h LEU 494 Cb 0.04 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2qn3 h LEU 494 CO -0.02 0.37 -0.66 0.00 -0.62 0.00 0.00 178.44 177.51 2qn3 n ASN 496 N -2.83 0.93 0.08 0.00 2.85 0.59 -4.85 115.26 112.01 2qn3 n ASN 496 Ca 0.01 -2.96 0.03 0.00 -0.11 0.00 0.00 54.58 51.55 2qn3 n ASN 496 Cb 0.55 -0.62 0.41 0.00 1.24 0.00 0.00 39.78 41.35 2qn3 n ASN 496 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2qn3 h PRO 497 N 3.35 0.36 -0.69 1.20 0.13 -1.66 -2.00 132.00 132.69 2qn3 h PRO 497 Ca 0.10 -0.06 0.01 0.00 -0.87 0.00 0.00 66.00 65.18 2qn3 h PRO 497 Cb 0.90 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 2qn3 h PRO 497 CO 0.52 0.37 0.46 0.78 -0.23 0.00 0.00 178.00 179.89 2qn3 h GLY 498 N 0.63 0.97 0.80 1.56 0.00 -1.91 -0.32 103.07 104.80 2qn3 h GLY 498 Ca 0.08 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.97 2qn3 h GLY 498 CO 0.00 0.36 -0.19 -2.00 0.00 0.00 0.00 176.54 174.71 2qn3 h LEU 499 N 0.94 0.48 -1.18 3.11 5.85 -1.84 -2.83 115.31 119.84 2qn3 h LEU 499 Ca 0.25 -0.48 0.11 0.00 0.84 0.00 0.00 57.88 58.60 2qn3 h LEU 499 Cb -0.11 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.72 2qn3 h LEU 499 CO -0.05 0.87 0.59 0.00 -0.34 0.00 0.00 178.44 179.50 2qn3 h ALA 500 N 0.63 1.66 -0.15 1.25 0.00 -1.18 -2.34 119.26 119.13 2qn3 h ALA 500 Ca 0.03 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2qn3 h ALA 500 Cb 0.73 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qn3 h ALA 500 CO 0.05 0.13 -0.22 1.49 0.00 0.00 0.00 179.25 180.70 2qn3 h GLU 501 N 0.86 0.42 -0.15 0.00 4.57 -1.03 -1.21 114.58 118.04 2qn3 h GLU 501 Ca 0.44 -0.25 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 2qn3 h GLU 501 Cb 0.50 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 2qn3 h GLU 501 CO -0.20 0.83 -0.22 -0.84 -1.18 0.00 0.00 179.01 177.40 2qn3 h ILE 502 N 0.04 1.23 -0.11 2.32 3.07 -1.32 0.02 117.51 122.76 2qn3 h ILE 502 Ca 0.02 -1.06 -0.02 0.00 1.55 0.00 0.00 64.86 65.35 2qn3 h ILE 502 Cb 0.78 1.36 -0.00 0.00 -0.27 0.00 0.00 36.82 38.69 2qn3 h ILE 502 CO 0.05 0.32 -0.02 0.40 -1.05 0.00 0.00 178.15 177.85 2qn3 h ILE 503 N 0.25 1.28 -0.49 0.16 2.04 -1.42 -3.18 117.51 116.16 2qn3 h ILE 503 Ca 0.04 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2qn3 h ILE 503 Cb 0.53 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 2qn3 h ILE 503 CO 0.04 0.27 0.31 0.00 0.00 0.00 0.00 178.15 178.77 2qn3 h ALA 504 N 0.70 1.64 -0.54 1.87 0.00 -0.80 -0.93 119.26 121.19 2qn3 h ALA 504 Ca 0.03 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2qn3 h ALA 504 Cb 0.43 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2qn3 h ALA 504 CO 0.01 0.33 0.36 0.93 0.00 0.00 0.00 179.25 180.88 2qn3 h GLU 505 N 0.66 0.52 0.05 0.00 5.08 -0.98 -0.39 114.58 119.52 2qn3 h GLU 505 Ca 0.18 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.23 2qn3 h GLU 505 Cb -0.06 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2qn3 h GLU 505 CO -0.04 0.34 -1.49 0.00 -1.00 0.00 0.00 179.01 176.83 2qn3 h ARG 506 N 0.53 0.10 -0.03 2.33 2.47 -1.33 -3.43 114.38 115.02 2qn3 h ARG 506 Ca 0.23 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2qn3 h ARG 506 Cb 0.24 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2qn3 h ARG 506 CO -0.06 1.08 0.00 0.44 0.56 0.00 0.00 179.97 181.99 2qn3 n ILE 507 N -4.11 0.63 -2.73 2.04 -5.35 -0.44 -5.12 119.36 104.29 2qn3 n ILE 507 Ca -0.31 -0.82 0.00 0.00 -0.27 0.00 0.00 62.75 61.35 2qn3 n ILE 507 Cb 0.81 0.69 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 2qn3 n ILE 507 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qn3 n GLY 508 N -0.20 -1.99 0.16 3.28 0.00 -0.16 -4.67 105.19 101.61 2qn3 n GLY 508 Ca 0.01 -1.63 0.09 0.00 0.00 0.00 0.00 46.02 44.49 2qn3 n GLY 508 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qn3 n GLU 509 N -0.01 1.30 0.31 1.61 1.02 -1.26 -4.12 120.64 119.48 2qn3 n GLU 509 Ca 0.00 -0.34 0.19 0.00 -0.02 0.00 0.00 57.16 56.99 2qn3 n GLU 509 Cb 0.00 -1.34 1.00 0.00 -0.02 0.00 0.00 31.44 31.07 2qn3 n GLU 509 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2qn3 h GLU 510 N 0.78 0.00 0.00 3.49 5.08 -1.96 -2.81 114.58 119.16 2qn3 h GLU 510 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2qn3 h GLU 510 Cb 0.50 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2qn3 h GLU 510 CO 0.00 0.02 -0.11 0.10 -1.00 0.00 0.00 179.01 178.03 2qn3 h TYR 511 N 0.00 0.00 -0.06 4.33 -0.00 -1.80 -2.60 116.97 116.84 2qn3 h TYR 511 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.71 2qn3 h TYR 511 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.85 2qn3 h TYR 511 CO 0.00 0.11 -0.05 0.82 -0.00 0.00 0.00 178.16 179.04 2qn3 h ILE 512 N 0.00 1.07 -0.10 -0.90 2.04 -1.86 -1.86 117.51 115.91 2qn3 h ILE 512 Ca -0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 2qn3 h ILE 512 Cb 0.38 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 2qn3 h ILE 512 CO 0.01 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 176.72 2qn3 n SER 513 N -4.43 2.53 -2.97 1.72 3.41 -1.14 -4.66 113.62 108.06 2qn3 n SER 513 Ca -0.02 -2.42 -0.14 0.00 -0.26 0.00 0.00 58.87 56.02 2qn3 n SER 513 Cb 0.16 -0.23 -0.02 0.00 -0.26 0.00 0.00 64.21 63.86 2qn3 n SER 513 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2qn3 n ASP 514 N -0.55 -1.82 0.31 4.04 4.64 -0.76 -5.03 116.55 117.38 2qn3 n ASP 514 Ca 0.09 -2.91 0.19 0.00 -1.38 0.00 0.00 54.79 50.79 2qn3 n ASP 514 Cb 0.47 0.77 0.96 0.00 -1.04 0.00 0.00 41.12 42.28 2qn3 n ASP 514 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 2qn3 h LEU 515 N 4.49 0.00 -2.34 -2.67 5.85 -1.68 -1.96 115.31 116.99 2qn3 h LEU 515 Ca 0.02 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2qn3 h LEU 515 Cb 0.99 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 2qn3 h LEU 515 CO 0.30 0.02 0.17 0.44 -0.34 0.00 0.00 178.44 179.04 2qn3 h ASP 516 N 0.00 0.00 0.26 1.25 3.32 -1.85 -1.90 116.42 117.50 2qn3 h ASP 516 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qn3 h ASP 516 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2qn3 h ASP 516 CO 0.00 0.00 0.00 1.56 -1.72 0.00 0.00 179.24 179.08 2qn3 h GLN 517 N 0.00 0.00 -0.01 3.56 4.20 -1.68 -2.49 115.11 118.69 2qn3 h GLN 517 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2qn3 h GLN 517 Cb 0.40 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 2qn3 h GLN 517 CO -0.00 0.00 0.02 -0.07 -0.67 0.00 0.00 178.83 178.11 2qn3 h LEU 518 N 0.00 0.00 -2.22 1.46 3.38 -1.58 -1.72 115.31 114.63 2qn3 h LEU 518 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2qn3 h LEU 518 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2qn3 h LEU 518 CO 0.00 0.00 0.23 0.03 0.09 0.00 0.00 178.44 178.79 2qn3 h ARG 519 N 0.00 0.00 0.00 1.13 3.08 -0.96 -0.88 114.38 116.75 2qn3 h ARG 519 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qn3 h ARG 519 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2qn3 h ARG 519 CO -0.00 0.00 -0.02 0.87 -1.07 0.00 0.00 179.97 179.75 2qn3 h LYS 520 N 0.00 0.00 0.00 0.04 1.57 -1.56 -2.31 116.57 114.30 2qn3 h LYS 520 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2qn3 h LYS 520 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2qn3 h LYS 520 CO -0.00 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.18 2qn3 n LEU 521 N -3.37 0.41 0.21 2.94 4.77 -0.34 -2.91 117.00 118.71 2qn3 n LEU 521 Ca -0.02 0.59 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 2qn3 n LEU 521 Cb 0.13 -0.52 0.57 0.00 -2.33 0.00 0.00 43.42 41.26 2qn3 n LEU 521 CO 0.24 -0.39 1.04 -0.07 -1.33 0.00 0.00 177.39 176.89 2qn3 h LEU 522 N 0.00 0.08 0.00 2.23 4.07 -1.60 -1.29 115.31 118.80 2qn3 h LEU 522 Ca 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2qn3 h LEU 522 Cb 0.37 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2qn3 h LEU 522 CO 0.00 0.10 0.00 -1.54 -1.08 0.00 0.00 178.44 175.92 2qn3 n SER 523 N -4.48 0.00 -0.40 -0.43 3.41 -1.15 -2.95 113.62 107.63 2qn3 n SER 523 Ca -0.02 -1.24 0.04 0.00 -0.26 0.00 0.00 58.87 57.39 2qn3 n SER 523 Cb 0.12 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.15 2qn3 n SER 523 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2qn3 n TYR 524 N -0.81 0.22 0.26 7.33 4.01 -0.49 -4.70 117.16 122.98 2qn3 n TYR 524 Ca 0.13 -0.34 0.11 0.00 -0.16 0.00 0.00 57.90 57.65 2qn3 n TYR 524 Cb 0.06 -0.02 0.70 0.00 -0.31 0.00 0.00 39.34 39.77 2qn3 n TYR 524 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2qn3 h VAL 525 N 1.44 0.68 -0.30 -0.72 3.04 -1.57 -1.93 116.25 116.88 2qn3 h VAL 525 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2qn3 h VAL 525 Cb 0.55 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 2qn3 h VAL 525 CO 0.00 0.12 0.00 0.47 -1.01 0.00 0.00 177.57 177.15 2qn3 n ASP 526 N -3.80 2.93 -4.62 3.17 10.43 -1.26 -4.86 116.55 118.54 2qn3 n ASP 526 Ca -0.02 -1.86 -0.43 0.00 2.57 0.00 0.00 54.79 55.05 2qn3 n ASP 526 Cb 0.22 -0.19 -0.02 0.00 1.84 0.00 0.00 41.12 42.97 2qn3 n ASP 526 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 2qn3 s ASP 527 N -1.15 6.76 0.31 -2.24 3.68 -0.73 -4.93 116.67 118.37 2qn3 s ASP 527 Ca 0.28 0.83 0.01 0.00 2.13 0.00 0.00 52.55 55.80 2qn3 s ASP 527 Cb 0.16 -2.55 0.50 0.00 -1.45 0.00 0.00 42.92 39.59 2qn3 s ASP 527 CO 0.22 -1.07 1.86 -0.08 0.13 0.00 0.00 175.17 176.23 2qn3 h GLU 528 N 8.78 0.71 -0.31 4.34 4.57 -1.92 -1.14 114.58 129.61 2qn3 h GLU 528 Ca -0.22 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 57.78 2qn3 h GLU 528 Cb 1.07 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.53 2qn3 h GLU 528 CO 1.07 0.65 0.03 0.00 -1.18 0.00 0.00 179.01 179.58 2qn3 h ALA 529 N 1.43 0.42 -0.28 2.92 0.00 -1.95 -2.54 119.26 119.26 2qn3 h ALA 529 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2qn3 h ALA 529 Cb 0.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2qn3 h ALA 529 CO -0.00 0.14 -0.03 0.35 0.00 0.00 0.00 179.25 179.71 2qn3 h PHE 530 N 0.35 0.56 -0.60 0.00 3.04 -1.79 -1.44 116.94 117.06 2qn3 h PHE 530 Ca 0.09 -0.11 0.12 0.00 3.98 0.00 0.00 57.97 62.05 2qn3 h PHE 530 Cb 0.39 -0.14 -0.09 0.00 2.56 0.00 0.00 35.95 38.66 2qn3 h PHE 530 CO 0.03 0.68 0.10 0.82 -2.02 0.00 0.00 178.31 177.92 2qn3 h ILE 531 N 0.28 0.60 -0.64 1.41 2.04 -1.26 0.18 117.51 120.12 2qn3 h ILE 531 Ca 0.07 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 2qn3 h ILE 531 Cb 0.48 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2qn3 h ILE 531 CO 0.02 0.04 0.05 -0.09 0.00 0.00 0.00 178.15 178.17 2qn3 h ARG 532 N 0.22 1.10 -0.31 2.37 2.43 -1.29 -2.47 114.38 116.43 2qn3 h ARG 532 Ca 0.32 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 2qn3 h ARG 532 Cb 0.49 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 2qn3 h ARG 532 CO -0.43 1.03 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.61 2qn3 h ASP 533 N 1.01 0.54 -0.34 -3.80 3.32 -0.59 -0.46 116.42 116.11 2qn3 h ASP 533 Ca 0.19 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 56.93 2qn3 h ASP 533 Cb 0.50 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2qn3 h ASP 533 CO 0.02 0.73 0.21 0.58 -1.72 0.00 0.00 179.24 179.06 2qn3 h VAL 534 N 0.34 1.06 -0.30 -1.35 2.07 -0.97 -1.08 116.25 116.02 2qn3 h VAL 534 Ca 0.09 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2qn3 h VAL 534 Cb 0.46 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2qn3 h VAL 534 CO 0.02 0.08 -0.11 0.00 0.02 0.00 0.00 177.57 177.58 2qn3 h ALA 535 N 1.14 1.25 -0.31 1.67 0.00 -1.39 -2.62 119.26 119.00 2qn3 h ALA 535 Ca 0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 2qn3 h ALA 535 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2qn3 h ALA 535 CO -0.05 0.49 -0.01 -0.22 0.00 0.00 0.00 179.25 179.46 2qn3 h LYS 536 N 0.47 0.55 -0.64 0.00 3.64 -0.69 -2.18 116.57 117.72 2qn3 h LYS 536 Ca 0.09 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2qn3 h LYS 536 Cb 0.48 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 2qn3 h LYS 536 CO 0.03 0.70 0.41 0.28 -2.27 0.00 0.00 179.45 178.59 2qn3 h VAL 537 N 0.34 1.17 -0.38 2.00 2.07 -1.07 -1.40 116.25 118.98 2qn3 h VAL 537 Ca 0.09 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 2qn3 h VAL 537 Cb 0.45 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2qn3 h VAL 537 CO 0.02 0.17 0.21 0.50 0.02 0.00 0.00 177.57 178.49 2qn3 h LYS 538 N 0.87 0.53 -0.75 1.57 1.63 -1.44 -1.32 116.57 117.66 2qn3 h LYS 538 Ca 0.23 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.97 2qn3 h LYS 538 Cb -0.07 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.42 2qn3 h LYS 538 CO -0.05 0.43 0.46 0.37 -3.45 0.00 0.00 179.45 177.21 2qn3 h GLN 539 N 0.49 1.02 -0.68 1.90 5.75 -1.13 -0.90 115.11 121.55 2qn3 h GLN 539 Ca 0.13 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 2qn3 h GLN 539 Cb 0.06 -0.21 -0.03 0.00 1.07 0.00 0.00 27.48 28.36 2qn3 h GLN 539 CO -0.02 0.72 0.41 0.93 -2.65 0.00 0.00 178.83 178.22 2qn3 h GLU 540 N 1.03 0.92 -0.73 1.69 5.08 -1.10 -1.11 114.58 120.36 2qn3 h GLU 540 Ca 0.27 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2qn3 h GLU 540 Cb -0.04 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2qn3 h GLU 540 CO -0.05 0.65 0.26 -0.91 -1.00 0.00 0.00 179.01 177.96 2qn3 h ASN 541 N 0.93 1.03 -0.46 1.42 2.35 -0.80 -1.90 115.58 118.16 2qn3 h ASN 541 Ca 0.24 -0.18 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 2qn3 h ASN 541 Cb -0.03 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 2qn3 h ASN 541 CO -0.05 0.94 -0.27 0.11 -1.65 0.00 0.00 177.43 176.52 2qn3 h LYS 542 N 1.08 0.99 -0.39 0.81 1.57 -0.90 -1.89 116.57 117.84 2qn3 h LYS 542 Ca 0.24 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2qn3 h LYS 542 Cb 0.26 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2qn3 h LYS 542 CO -0.01 1.13 0.14 -0.07 -0.57 0.00 0.00 179.45 180.06 2qn3 h LEU 543 N 0.84 0.55 -0.33 2.94 3.38 -1.09 0.01 115.31 121.60 2qn3 h LEU 543 Ca 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2qn3 h LEU 543 Cb 0.86 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2qn3 h LEU 543 CO 0.08 0.59 0.22 0.50 0.09 0.00 0.00 178.44 179.92 2qn3 h LYS 544 N 0.48 0.44 -0.38 1.13 3.64 -1.29 -1.36 116.57 119.23 2qn3 h LYS 544 Ca 0.13 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2qn3 h LYS 544 Cb 0.22 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2qn3 h LYS 544 CO -0.01 0.29 -0.24 0.35 -2.27 0.00 0.00 179.45 177.57 2qn3 h PHE 545 N 0.45 0.89 -0.57 1.91 3.57 -1.25 -0.54 116.94 121.39 2qn3 h PHE 545 Ca 0.12 -0.21 0.02 0.00 3.53 0.00 0.00 57.97 61.43 2qn3 h PHE 545 Cb -0.05 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 2qn3 h PHE 545 CO -0.05 0.94 0.38 0.00 -2.23 0.00 0.00 178.31 177.35 2qn3 h ALA 546 N 1.05 1.64 -0.04 2.41 0.00 -0.80 -1.74 119.26 121.78 2qn3 h ALA 546 Ca 0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.76 2qn3 h ALA 546 Cb 0.76 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 2qn3 h ALA 546 CO 0.06 0.32 -0.83 0.00 0.00 0.00 0.00 179.25 178.80 2qn3 h ALA 547 N 1.65 0.48 -0.84 0.00 0.00 -0.76 -3.15 119.26 116.65 2qn3 h ALA 547 Ca 0.22 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2qn3 h ALA 547 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 2qn3 h ALA 547 CO -0.05 0.79 0.43 -0.92 0.00 0.00 0.00 179.25 179.50 2qn3 h TYR 548 N 0.26 1.19 -0.75 0.00 5.03 -0.59 -2.31 116.97 119.80 2qn3 h TYR 548 Ca -0.05 -0.04 -0.06 0.00 2.58 0.00 0.00 58.73 61.16 2qn3 h TYR 548 Cb 1.44 -0.37 -0.03 0.00 1.55 0.00 0.00 36.73 39.31 2qn3 h TYR 548 CO 0.05 0.84 0.25 -0.07 -1.32 0.00 0.00 178.16 177.91 2qn3 h LEU 549 N 1.19 1.07 -0.21 2.82 3.38 -1.33 -2.08 115.31 120.15 2qn3 h LEU 549 Ca 0.29 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 2qn3 h LEU 549 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2qn3 h LEU 549 CO -0.04 0.99 -0.43 -0.33 0.09 0.00 0.00 178.44 178.72 2qn3 h GLU 550 N 1.11 0.66 -0.11 1.13 5.08 -1.47 -1.51 114.58 119.47 2qn3 h GLU 550 Ca 0.24 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.14 2qn3 h GLU 550 Cb 0.29 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2qn3 h GLU 550 CO -0.01 1.05 -0.06 0.00 -1.00 0.00 0.00 179.01 178.99 2qn3 h ARG 551 N 0.36 0.23 0.00 2.33 3.08 -1.34 -1.71 114.38 117.32 2qn3 h ARG 551 Ca 0.01 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2qn3 h ARG 551 Cb 1.03 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 2qn3 h ARG 551 CO 0.09 0.59 -1.45 0.39 -1.07 0.00 0.00 179.97 178.53 2qn3 n GLU 552 N -4.70 0.63 0.00 0.04 4.71 -0.79 -4.58 120.64 115.94 2qn3 n GLU 552 Ca -0.06 0.01 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 2qn3 n GLU 552 Cb 0.28 -1.70 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 2qn3 n GLU 552 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 2qn3 n TYR 553 N -2.54 0.00 -3.35 -0.32 4.01 -0.75 -5.04 117.16 109.17 2qn3 n TYR 553 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.47 2qn3 n TYR 553 Cb 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.65 2qn3 n TYR 553 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qn3 n LYS 554 N -0.03 -4.82 -4.90 -0.72 4.76 -0.64 -4.93 118.16 106.89 2qn3 n LYS 554 Ca 0.00 0.70 -0.33 0.00 -2.87 0.00 0.00 58.31 55.82 2qn3 n LYS 554 Cb 0.15 -5.54 -0.13 0.00 -1.84 0.00 0.00 35.03 27.66 2qn3 n LYS 554 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2qn3 s VAL 555 N -3.13 3.01 -0.16 -0.18 -7.23 -1.07 -4.94 120.40 106.71 2qn3 s VAL 555 Ca 0.43 -0.73 -0.03 0.00 -1.81 0.00 0.00 61.98 59.84 2qn3 s VAL 555 Cb -0.21 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2qn3 s VAL 555 CO 0.53 0.58 -0.07 -1.00 -0.31 0.00 0.00 175.10 174.83 2qn3 s HIS 556 N -0.57 2.94 0.11 2.82 0.09 -1.26 -3.12 115.29 116.31 2qn3 s HIS 556 Ca 0.08 -0.49 0.05 0.00 -0.00 0.00 0.00 55.06 54.70 2qn3 s HIS 556 Cb -0.11 -1.94 -0.04 0.00 -0.00 0.00 0.00 32.58 30.49 2qn3 s HIS 556 CO 0.01 -0.16 -0.11 0.96 -0.00 0.00 0.00 174.74 175.44 2qn3 s ILE 557 N 0.50 1.10 -0.45 0.60 -4.36 -1.26 -5.12 121.20 112.21 2qn3 s ILE 557 Ca -0.05 -1.72 -0.26 0.00 -0.26 0.00 0.00 60.65 58.36 2qn3 s ILE 557 Cb -0.15 -1.48 0.03 0.00 1.25 0.00 0.00 42.46 42.11 2qn3 s ILE 557 CO 0.03 -0.53 0.95 0.21 0.24 0.00 0.00 174.94 175.84 2qn3 s ASN 558 N -2.54 6.54 0.00 4.36 2.47 -1.26 -4.93 114.94 119.58 2qn3 s ASN 558 Ca 0.08 0.23 0.13 0.00 0.42 0.00 0.00 52.86 53.71 2qn3 s ASN 558 Cb -0.03 -2.46 0.55 0.00 -1.45 0.00 0.00 41.25 37.86 2qn3 s ASN 558 CO 0.01 -1.04 1.41 -2.65 -3.72 0.00 0.00 177.10 171.10 2qn3 n PRO 559 N 7.18 0.00 0.00 0.43 -0.02 -1.26 -2.15 135.00 139.18 2qn3 n PRO 559 Ca 0.07 0.28 0.12 0.00 -2.02 0.00 0.00 63.50 61.95 2qn3 n PRO 559 Cb 0.48 -1.50 0.24 0.00 -0.02 0.00 0.00 33.50 32.71 2qn3 n PRO 559 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2qn3 n ASN 560 N -1.50 0.82 -4.84 2.55 4.13 -1.26 -4.87 115.26 110.29 2qn3 n ASN 560 Ca 0.03 -0.62 -0.31 0.00 1.68 0.00 0.00 54.58 55.36 2qn3 n ASN 560 Cb 0.15 0.30 0.04 0.00 -1.54 0.00 0.00 39.78 38.73 2qn3 n ASN 560 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2qn3 s SER 561 N -2.79 5.53 -0.09 6.41 1.04 -0.92 -4.95 113.70 117.93 2qn3 s SER 561 Ca 0.16 1.44 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 2qn3 s SER 561 Cb 0.18 -2.34 -0.03 0.00 0.10 0.00 0.00 66.02 63.92 2qn3 s SER 561 CO 0.65 -1.32 1.38 -0.22 0.98 0.00 0.00 173.24 174.71 2qn3 s LEU 562 N -5.44 4.26 -0.64 2.42 0.20 -0.19 -4.77 118.68 114.52 2qn3 s LEU 562 Ca 0.57 1.93 -0.25 0.00 0.69 0.00 0.00 54.13 57.07 2qn3 s LEU 562 Cb -0.13 -3.54 0.04 0.00 -0.43 0.00 0.00 46.19 42.13 2qn3 s LEU 562 CO 0.54 -0.77 1.09 -0.36 -0.29 0.00 0.00 176.35 176.56 2qn3 s PHE 563 N 3.26 2.57 -0.41 5.38 2.99 -1.26 -0.89 117.98 129.62 2qn3 s PHE 563 Ca 0.61 -0.11 -0.13 0.00 0.00 0.00 0.00 56.93 57.30 2qn3 s PHE 563 Cb -0.27 -4.37 0.04 0.00 0.00 0.00 0.00 43.02 38.42 2qn3 s PHE 563 CO 0.22 -1.70 0.28 0.34 -0.00 0.00 0.00 175.22 174.36 2qn3 s ASP 564 N 3.38 5.92 -0.11 1.36 3.68 0.03 -1.48 116.67 129.45 2qn3 s ASP 564 Ca 0.31 -1.10 0.03 0.00 2.13 0.00 0.00 52.55 53.92 2qn3 s ASP 564 Cb -0.12 -2.09 0.01 0.00 -1.45 0.00 0.00 42.92 39.27 2qn3 s ASP 564 CO 0.16 -0.48 -0.21 -0.69 0.13 0.00 0.00 175.17 174.09 2qn3 s VAL 565 N 1.59 1.85 -0.30 1.11 1.01 -0.40 -0.00 120.40 125.26 2qn3 s VAL 565 Ca 0.03 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.15 2qn3 s VAL 565 Cb -0.21 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.64 2qn3 s VAL 565 CO 0.07 0.51 0.05 -1.58 0.00 0.00 0.00 175.10 174.15 2qn3 s GLN 566 N 0.60 1.20 -0.13 2.72 0.74 0.07 -1.84 119.66 123.01 2qn3 s GLN 566 Ca -0.14 -1.34 0.01 0.00 0.05 0.00 0.00 55.36 53.94 2qn3 s GLN 566 Cb -0.17 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.39 2qn3 s GLN 566 CO 0.04 -0.88 -0.16 0.14 -0.55 0.00 0.00 175.29 173.88 2qn3 s VAL 567 N 1.31 1.61 0.00 1.34 -7.23 -1.26 -1.73 120.40 114.44 2qn3 s VAL 567 Ca 0.07 -0.69 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2qn3 s VAL 567 Cb -0.18 -1.48 0.00 0.00 0.56 0.00 0.00 36.38 35.28 2qn3 s VAL 567 CO -0.14 0.46 0.00 2.29 -0.31 0.00 0.00 175.10 177.40 2qn3 n LYS 568 N 4.39 0.00 -1.69 4.82 2.85 -0.94 -4.98 118.16 122.61 2qn3 n LYS 568 Ca -0.18 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.69 2qn3 n LYS 568 Cb 0.51 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.94 2qn3 n LYS 568 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2qn3 n ARG 569 N -0.18 1.25 -2.64 -1.58 5.12 -1.26 -4.01 116.66 113.37 2qn3 n ARG 569 Ca 0.00 0.47 -0.43 0.00 -1.93 0.00 0.00 57.85 55.96 2qn3 n ARG 569 Cb 0.00 -2.38 -0.02 0.00 -1.16 0.00 0.00 32.46 28.90 2qn3 n ARG 569 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2qn3 s ILE 570 N -1.39 4.49 -0.02 0.55 -1.09 -0.55 -4.91 121.20 118.29 2qn3 s ILE 570 Ca 0.75 1.68 -0.03 0.00 -2.23 0.00 0.00 60.65 60.82 2qn3 s ILE 570 Cb -0.42 -4.43 0.00 0.00 -1.58 0.00 0.00 42.46 36.03 2qn3 s ILE 570 CO 0.47 -0.52 0.07 -1.00 -1.23 0.00 0.00 174.94 172.73 2qn3 s HIS 571 N 3.71 -0.00 0.25 3.97 3.76 -1.26 -4.69 115.29 121.03 2qn3 s HIS 571 Ca 0.45 0.02 -0.03 0.00 -0.15 0.00 0.00 55.06 55.35 2qn3 s HIS 571 Cb -0.12 -0.03 0.41 0.00 1.11 0.00 0.00 32.58 33.96 2qn3 s HIS 571 CO 0.17 -0.12 1.83 0.93 -0.85 0.00 0.00 174.74 176.70 2qn3 h GLU 572 N 5.41 0.88 0.00 1.40 5.08 -1.97 -2.52 114.58 122.86 2qn3 h GLU 572 Ca -0.27 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 2qn3 h GLU 572 Cb 1.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2qn3 h GLU 572 CO 0.44 0.58 -0.23 0.10 -1.00 0.00 0.00 179.01 178.90 2qn3 h TYR 573 N 0.90 0.00 0.00 4.33 -0.00 -1.97 -2.12 116.97 118.11 2qn3 h TYR 573 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.14 2qn3 h TYR 573 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.06 2qn3 h TYR 573 CO -0.04 0.23 0.00 0.87 -0.00 0.00 0.00 178.16 179.22 2qn3 h LYS 574 N 0.00 0.00 -5.50 0.10 1.57 -1.81 -3.01 116.57 107.91 2qn3 h LYS 574 Ca -0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.43 2qn3 h LYS 574 Cb 0.47 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.92 2qn3 h LYS 574 CO 0.03 0.00 -0.68 0.54 -0.57 0.00 0.00 179.45 178.77 2qn3 n ARG 575 N -2.38 -6.91 -0.05 3.15 1.74 -0.80 -3.96 116.66 107.45 2qn3 n ARG 575 Ca 0.05 0.79 0.23 0.00 -0.77 0.00 0.00 57.85 58.15 2qn3 n ARG 575 Cb 0.41 -5.68 0.71 0.00 -1.02 0.00 0.00 32.46 26.89 2qn3 n ARG 575 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qn3 h GLN 576 N -2.19 0.00 -0.55 5.56 7.50 -1.84 -1.84 115.11 121.75 2qn3 h GLN 576 Ca -0.55 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.57 2qn3 h GLN 576 Cb 1.33 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 28.84 2qn3 h GLN 576 CO 0.50 0.00 0.21 -0.07 -1.50 0.00 0.00 178.83 177.97 2qn3 h LEU 577 N 0.00 0.73 -0.58 1.46 3.38 -1.90 -1.17 115.31 117.23 2qn3 h LEU 577 Ca 0.30 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 2qn3 h LEU 577 Cb 1.28 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2qn3 h LEU 577 CO -0.00 0.66 0.09 0.25 0.09 0.00 0.00 178.44 179.53 2qn3 h LEU 578 N 0.79 0.92 -0.36 1.67 5.85 -1.71 -1.80 115.31 120.67 2qn3 h LEU 578 Ca 0.19 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.68 2qn3 h LEU 578 Cb 0.17 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 2qn3 h LEU 578 CO -0.02 0.95 0.14 -1.13 -0.34 0.00 0.00 178.44 178.04 2qn3 h ASN 579 N 0.86 0.16 -0.93 1.25 -0.00 -1.43 -2.28 115.58 113.21 2qn3 h ASN 579 Ca 0.17 0.03 0.11 0.00 -0.00 0.00 0.00 56.30 56.62 2qn3 h ASN 579 Cb 0.43 0.01 -0.08 0.00 -0.00 0.00 0.00 38.32 38.68 2qn3 h ASN 579 CO 0.01 0.13 0.57 0.00 -0.00 0.00 0.00 177.43 178.14 2qn3 h LEU 581 N 0.92 1.03 -0.50 0.00 3.38 -0.89 -2.16 115.31 117.09 2qn3 h LEU 581 Ca 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2qn3 h LEU 581 Cb 0.42 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2qn3 h LEU 581 CO -0.25 1.00 0.19 -0.74 0.09 0.00 0.00 178.44 178.73 2qn3 h HIS 582 N 1.01 0.77 -0.25 1.13 2.76 -0.84 -1.44 115.15 118.28 2qn3 h HIS 582 Ca 0.21 -0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.36 2qn3 h HIS 582 Cb 0.38 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 2qn3 h HIS 582 CO 0.03 0.65 0.02 0.28 -1.30 0.00 0.00 177.93 177.61 2qn3 h VAL 583 N 0.67 0.85 -0.67 5.26 2.07 -1.09 -0.67 116.25 122.67 2qn3 h VAL 583 Ca 0.16 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 2qn3 h VAL 583 Cb 0.21 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2qn3 h VAL 583 CO -0.01 0.02 0.24 0.40 0.02 0.00 0.00 177.57 178.24 2qn3 h ILE 584 N 0.11 1.24 -0.25 4.57 2.04 -1.31 -1.16 117.51 122.75 2qn3 h ILE 584 Ca 0.12 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.22 2qn3 h ILE 584 Cb 0.14 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2qn3 h ILE 584 CO -0.18 0.31 0.07 0.74 0.00 0.00 0.00 178.15 179.09 2qn3 h THR 585 N 0.97 0.92 -0.53 -0.27 2.02 -0.78 0.11 112.91 115.34 2qn3 h THR 585 Ca 0.22 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2qn3 h THR 585 Cb 0.23 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 2qn3 h THR 585 CO -0.01 0.03 0.33 -0.07 0.37 0.00 0.00 175.52 176.17 2qn3 h LEU 586 N 0.18 0.63 -0.29 2.58 4.07 -0.78 -0.72 115.31 120.97 2qn3 h LEU 586 Ca 0.11 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.03 2qn3 h LEU 586 Cb 0.09 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 2qn3 h LEU 586 CO -0.13 0.48 0.18 0.22 -1.08 0.00 0.00 178.44 178.12 2qn3 h TYR 587 N 0.72 0.37 -0.57 1.13 5.03 -0.95 -1.86 116.97 120.84 2qn3 h TYR 587 Ca 0.19 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.45 2qn3 h TYR 587 Cb -0.04 -0.12 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 2qn3 h TYR 587 CO -0.03 0.25 0.10 -0.91 -1.32 0.00 0.00 178.16 176.25 2qn3 h ASN 588 N 0.38 0.84 -0.70 -2.11 2.35 -0.51 -1.43 115.58 114.41 2qn3 h ASN 588 Ca 0.10 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.61 2qn3 h ASN 588 Cb -0.02 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 2qn3 h ASN 588 CO -0.02 0.85 0.17 0.03 -1.65 0.00 0.00 177.43 176.81 2qn3 h ARG 589 N 0.85 1.11 -0.31 0.81 3.08 -1.00 -1.23 114.38 117.69 2qn3 h ARG 589 Ca 0.18 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2qn3 h ARG 589 Cb 0.36 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 2qn3 h ARG 589 CO 0.01 0.98 0.13 0.82 -1.07 0.00 0.00 179.97 180.84 2qn3 h ILE 590 N 1.05 1.17 -0.09 2.04 2.04 -1.05 -1.88 117.51 120.78 2qn3 h ILE 590 Ca 0.22 -0.52 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2qn3 h ILE 590 Cb 0.37 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2qn3 h ILE 590 CO 0.00 0.18 -0.09 0.11 0.00 0.00 0.00 178.15 178.36 2qn3 h LYS 591 N 0.36 0.14 -0.06 2.37 1.79 -1.07 -1.59 116.57 118.50 2qn3 h LYS 591 Ca 0.10 -0.02 -0.21 0.00 -2.18 0.00 0.00 60.65 58.34 2qn3 h LYS 591 Cb 0.16 -0.02 0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2qn3 h LYS 591 CO -0.01 0.24 -0.78 -0.22 -1.08 0.00 0.00 179.45 177.60 2qn3 h LYS 592 N 0.14 0.64 -2.55 3.15 3.64 -1.03 -3.39 116.57 117.17 2qn3 h LYS 592 Ca 0.03 -0.60 -0.60 0.00 -1.27 0.00 0.00 60.65 58.21 2qn3 h LYS 592 Cb 0.25 0.15 -0.40 0.00 -0.41 0.00 0.00 32.23 31.82 2qn3 h LYS 592 CO 0.01 1.21 -0.81 0.39 -2.27 0.00 0.00 179.45 177.99 2qn3 n GLU 593 N -4.02 1.12 0.18 1.90 1.02 -0.73 -4.99 120.64 115.12 2qn3 n GLU 593 Ca -0.09 -3.83 0.04 0.00 -0.02 0.00 0.00 57.16 53.26 2qn3 n GLU 593 Cb 0.75 -1.90 0.45 0.00 -0.02 0.00 0.00 31.44 30.73 2qn3 n GLU 593 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2qn3 h PRO 594 N 5.14 0.09 -0.60 3.49 0.11 -1.51 -2.78 132.00 135.96 2qn3 h PRO 594 Ca 0.19 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2qn3 h PRO 594 Cb 0.82 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.92 2qn3 h PRO 594 CO 0.56 0.26 0.00 0.09 -0.21 0.00 0.00 178.00 178.70 2qn3 n ASN 595 N -4.30 3.37 -4.83 -2.05 5.03 -1.26 -4.87 115.26 106.35 2qn3 n ASN 595 Ca -0.02 -2.12 -0.37 0.00 0.87 0.00 0.00 54.58 52.94 2qn3 n ASN 595 Cb 0.26 -0.43 -0.06 0.00 -1.02 0.00 0.00 39.78 38.53 2qn3 n ASN 595 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2qn3 s LYS 596 N -1.41 4.07 0.08 3.52 2.36 -1.05 -5.05 119.74 122.26 2qn3 s LYS 596 Ca 0.39 0.59 -0.30 0.00 -2.55 0.00 0.00 55.97 54.10 2qn3 s LYS 596 Cb 0.22 -3.14 -0.06 0.00 -1.05 0.00 0.00 37.83 33.81 2qn3 s LYS 596 CO 0.24 0.60 1.08 0.12 1.55 0.00 0.00 175.35 178.94 2qn3 s PHE 597 N -1.22 3.59 0.05 4.03 5.36 -1.26 -5.05 117.98 123.48 2qn3 s PHE 597 Ca 0.31 1.55 0.06 0.00 -0.96 0.00 0.00 56.93 57.88 2qn3 s PHE 597 Cb -0.17 -3.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 2qn3 s PHE 597 CO 0.18 -0.57 -0.16 0.14 -1.46 0.00 0.00 175.22 173.35 2qn3 s VAL 598 N 0.54 1.24 0.02 3.12 -7.23 -1.26 -5.11 120.40 111.73 2qn3 s VAL 598 Ca 0.53 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 2qn3 s VAL 598 Cb -0.26 -1.13 -0.08 0.00 0.56 0.00 0.00 36.38 35.47 2qn3 s VAL 598 CO 0.31 -0.01 1.80 -0.69 -0.31 0.00 0.00 175.10 176.19 2qn3 s VAL 599 N -0.94 3.15 0.34 1.32 1.01 -1.26 -4.95 120.40 119.07 2qn3 s VAL 599 Ca 0.02 0.32 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 2qn3 s VAL 599 Cb -0.09 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.98 2qn3 s VAL 599 CO 0.02 -0.02 1.34 -2.84 0.00 0.00 0.00 175.10 173.60 2qn3 s PRO 600 N 3.83 4.30 0.01 2.72 0.02 -1.26 -4.94 135.00 139.69 2qn3 s PRO 600 Ca 0.80 2.29 0.04 0.00 0.02 0.00 0.00 61.00 64.15 2qn3 s PRO 600 Cb -0.40 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.06 2qn3 s PRO 600 CO 0.36 -0.26 -0.12 1.03 -0.33 0.00 0.00 177.00 177.68 2qn3 s ARG 601 N -1.86 0.88 -0.35 5.54 0.52 -0.57 -1.02 118.95 122.10 2qn3 s ARG 601 Ca 0.50 -0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 55.10 2qn3 s ARG 601 Cb -0.41 -0.86 0.04 0.00 0.52 0.00 0.00 34.95 34.25 2qn3 s ARG 601 CO 0.55 0.22 0.12 0.99 0.02 0.00 0.00 175.30 177.20 2qn3 s THR 602 N -0.53 3.83 -0.32 0.02 2.01 -0.07 -2.13 115.64 118.45 2qn3 s THR 602 Ca 0.02 -1.15 -0.18 0.00 0.31 0.00 0.00 61.69 60.69 2qn3 s THR 602 Cb -0.06 -3.19 -0.01 0.00 0.01 0.00 0.00 72.50 69.25 2qn3 s THR 602 CO 0.00 -0.21 0.51 -0.69 -0.69 0.00 0.00 174.62 173.54 2qn3 s VAL 603 N 1.40 5.04 -0.16 3.82 1.01 0.60 -0.79 120.40 131.33 2qn3 s VAL 603 Ca -0.01 0.53 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 2qn3 s VAL 603 Cb -0.20 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.27 2qn3 s VAL 603 CO 0.03 -0.11 -0.14 -0.04 0.00 0.00 0.00 175.10 174.84 2qn3 s MET 604 N 2.37 3.24 -0.06 2.72 -1.94 1.00 -1.05 119.30 125.57 2qn3 s MET 604 Ca 0.19 -0.74 0.03 0.00 -1.71 0.00 0.00 55.69 53.47 2qn3 s MET 604 Cb -0.15 -2.65 0.01 0.00 2.01 0.00 0.00 34.83 34.04 2qn3 s MET 604 CO 0.12 0.01 -0.15 0.42 -0.01 0.00 0.00 175.02 175.42 2qn3 s ILE 605 N 0.83 1.32 0.05 2.53 1.01 -0.62 -0.75 121.20 125.57 2qn3 s ILE 605 Ca -0.05 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 59.91 2qn3 s ILE 605 Cb -0.15 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.15 2qn3 s ILE 605 CO -0.00 0.39 0.19 -0.83 0.00 0.00 0.00 174.94 174.69 2qn3 s GLY 606 N 0.47 0.04 0.00 6.18 0.00 -0.71 -0.39 107.32 112.92 2qn3 s GLY 606 Ca -0.13 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.25 2qn3 s GLY 606 CO 0.04 -0.52 0.00 0.61 0.00 0.00 0.00 173.10 173.23 2qn3 n GLY 607 N 0.56 3.92 3.87 0.20 0.00 -1.25 -2.21 105.19 110.28 2qn3 n GLY 607 Ca -0.18 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.48 2qn3 n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qn3 s LYS 608 N -2.69 3.78 -0.11 1.61 1.02 -1.26 -4.66 119.74 117.42 2qn3 s LYS 608 Ca 0.00 0.20 -0.05 0.00 0.02 0.00 0.00 55.97 56.14 2qn3 s LYS 608 Cb 0.00 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 2qn3 s LYS 608 CO 0.00 0.43 0.07 0.00 -0.92 0.00 0.00 175.35 174.93 2qn3 s ALA 609 N -1.64 3.57 0.19 5.17 0.00 -1.26 -1.48 121.76 126.31 2qn3 s ALA 609 Ca 0.42 -0.72 -0.33 0.00 0.00 0.00 0.00 51.96 51.32 2qn3 s ALA 609 Cb -0.13 -1.75 -0.14 0.00 0.00 0.00 0.00 23.12 21.11 2qn3 s ALA 609 CO 0.21 0.56 1.53 0.00 0.00 0.00 0.00 175.76 178.06 2qn3 n ALA 610 N 2.21 1.37 -0.25 0.00 0.00 -1.26 -4.87 120.51 117.71 2qn3 n ALA 610 Ca -0.19 0.43 0.25 0.00 0.00 0.00 0.00 53.44 53.93 2qn3 n ALA 610 Cb 0.54 -2.34 0.60 0.00 0.00 0.00 0.00 19.45 18.26 2qn3 n ALA 610 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2qn3 h PRO 611 N 5.36 0.22 -0.20 0.00 0.11 -1.98 -1.35 132.00 134.17 2qn3 h PRO 611 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2qn3 h PRO 611 Cb 1.26 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qn3 h PRO 611 CO 0.85 0.15 0.00 0.41 -0.21 0.00 0.00 178.00 179.19 2qn3 n GLY 612 N -1.60 0.82 3.41 -0.55 0.00 -1.26 -4.82 105.19 101.19 2qn3 n GLY 612 Ca 0.21 -0.57 -0.45 0.00 0.00 0.00 0.00 46.02 45.22 2qn3 n GLY 612 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qn3 s TYR 613 N -1.75 3.21 0.13 1.61 6.04 -0.51 -4.92 117.35 121.15 2qn3 s TYR 613 Ca 0.34 -1.39 -0.20 0.00 0.04 0.00 0.00 57.07 55.86 2qn3 s TYR 613 Cb 0.20 -4.13 -0.04 0.00 -1.04 0.00 0.00 41.96 36.95 2qn3 s TYR 613 CO 0.29 -1.35 1.74 1.25 -1.54 0.00 0.00 175.55 175.94 2qn3 h HIS 614 N 8.71 0.06 -0.94 4.97 -0.00 -1.87 -2.48 115.15 123.60 2qn3 h HIS 614 Ca 0.04 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2qn3 h HIS 614 Cb 1.04 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.41 2qn3 h HIS 614 CO 1.07 0.02 0.57 1.98 -0.00 0.00 0.00 177.93 181.57 2qn3 h MET 615 N 0.11 1.27 -0.37 5.26 1.85 -1.98 -1.41 114.93 119.67 2qn3 h MET 615 Ca 0.09 -0.11 -0.06 0.00 -0.61 0.00 0.00 59.70 59.01 2qn3 h MET 615 Cb 0.08 -0.27 -0.02 0.00 0.43 0.00 0.00 31.60 31.83 2qn3 h MET 615 CO -0.12 0.88 -0.03 0.00 -0.40 0.00 0.00 176.91 177.25 2qn3 h ALA 616 N 1.31 1.27 -0.11 0.39 0.00 -1.85 -0.97 119.26 119.31 2qn3 h ALA 616 Ca 0.34 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2qn3 h ALA 616 Cb -0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2qn3 h ALA 616 CO -0.06 0.49 -0.46 0.87 0.00 0.00 0.00 179.25 180.08 2qn3 h LYS 617 N 0.56 0.26 -0.18 0.00 1.57 -0.94 -2.68 116.57 115.16 2qn3 h LYS 617 Ca 0.11 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 2qn3 h LYS 617 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2qn3 h LYS 617 CO 0.02 0.67 -0.47 0.52 -0.57 0.00 0.00 179.45 179.62 2qn3 h MET 618 N 0.21 0.47 -0.60 3.15 2.86 -0.69 -2.71 114.93 117.62 2qn3 h MET 618 Ca 0.01 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.34 2qn3 h MET 618 Cb 0.90 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 2qn3 h MET 618 CO 0.07 0.85 0.18 0.82 1.06 0.00 0.00 176.91 179.89 2qn3 h ILE 619 N 0.38 1.24 -0.34 -1.22 2.04 -1.07 -0.55 117.51 117.99 2qn3 h ILE 619 Ca 0.02 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2qn3 h ILE 619 Cb 0.97 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2qn3 h ILE 619 CO 0.09 0.32 0.22 0.40 0.00 0.00 0.00 178.15 179.17 2qn3 h ILE 620 N 0.86 1.10 -0.90 -0.67 2.04 -1.43 -1.53 117.51 116.99 2qn3 h ILE 620 Ca 0.19 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.84 2qn3 h ILE 620 Cb 0.30 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 2qn3 h ILE 620 CO -0.00 0.10 0.59 0.50 0.00 0.00 0.00 178.15 179.34 2qn3 h LYS 621 N 0.46 1.19 -0.22 2.37 1.63 -1.28 -2.28 116.57 118.44 2qn3 h LYS 621 Ca 0.12 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.87 2qn3 h LYS 621 Cb -0.02 -0.27 -0.02 0.00 -0.60 0.00 0.00 32.23 31.32 2qn3 h LYS 621 CO -0.03 0.79 0.08 1.25 -3.45 0.00 0.00 179.45 178.10 2qn3 h LEU 622 N 1.23 0.11 -0.42 5.20 6.46 -0.78 -0.66 115.31 126.45 2qn3 h LEU 622 Ca 0.33 0.02 0.04 0.00 -0.12 0.00 0.00 57.88 58.15 2qn3 h LEU 622 Cb -0.13 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 39.76 2qn3 h LEU 622 CO -0.07 0.09 0.20 0.40 -0.62 0.00 0.00 178.44 178.44 2qn3 h ILE 623 N 0.19 0.95 -0.41 4.05 2.04 -0.91 0.04 117.51 123.45 2qn3 h ILE 623 Ca 0.09 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 2qn3 h ILE 623 Cb 0.05 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2qn3 h ILE 623 CO -0.08 0.07 -0.11 0.71 0.00 0.00 0.00 178.15 178.74 2qn3 h THR 624 N 0.40 1.25 -0.67 -0.27 1.35 -1.31 -2.08 112.91 111.58 2qn3 h THR 624 Ca 0.18 -1.15 -0.08 0.00 -0.55 0.00 0.00 66.41 64.81 2qn3 h THR 624 Cb 0.11 1.06 -0.03 0.00 -1.73 0.00 0.00 68.15 67.56 2qn3 h THR 624 CO -0.14 0.39 0.12 0.00 -0.25 0.00 0.00 175.52 175.63 2qn3 h ALA 625 N 1.20 0.93 -0.16 6.62 0.00 -0.49 -0.26 119.26 127.11 2qn3 h ALA 625 Ca 0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qn3 h ALA 625 Cb 0.58 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qn3 h ALA 625 CO 0.04 0.67 0.07 0.82 0.00 0.00 0.00 179.25 180.84 2qn3 h ILE 626 N 1.04 1.15 -0.78 0.00 2.04 -0.89 -2.87 117.51 117.19 2qn3 h ILE 626 Ca 0.21 -0.44 0.12 0.00 1.00 0.00 0.00 64.86 65.75 2qn3 h ILE 626 Cb 0.43 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.57 2qn3 h ILE 626 CO 0.01 0.14 0.38 1.23 0.00 0.00 0.00 178.15 179.91 2qn3 h GLY 627 N 0.11 1.21 1.23 5.37 0.00 -1.10 0.51 103.07 110.40 2qn3 h GLY 627 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.19 2qn3 h GLY 627 CO -0.01 0.00 0.44 -0.55 0.00 0.00 0.00 176.54 176.43 2qn3 h ASP 628 N 0.60 0.67 0.00 0.19 3.45 -0.87 0.37 116.42 120.83 2qn3 h ASP 628 Ca 0.40 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.85 2qn3 h ASP 628 Cb 0.51 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.13 2qn3 h ASP 628 CO -0.32 0.46 -0.01 0.58 -1.57 0.00 0.00 179.24 178.37 2qn3 h VAL 629 N 0.78 1.39 -0.31 -1.35 2.07 -1.19 -3.36 116.25 114.28 2qn3 h VAL 629 Ca 0.26 -2.05 -0.04 0.00 0.82 0.00 0.00 66.70 65.69 2qn3 h VAL 629 Cb 0.08 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2qn3 h VAL 629 CO -0.07 0.47 0.03 0.58 0.02 0.00 0.00 177.57 178.60 2qn3 h VAL 630 N -1.00 1.24 0.00 2.57 2.07 -0.82 -3.06 116.25 117.25 2qn3 h VAL 630 Ca -0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 2qn3 h VAL 630 Cb 0.78 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2qn3 h VAL 630 CO -0.00 0.28 0.00 0.59 0.02 0.00 0.00 177.57 178.46 2qn3 n ASN 631 N -4.59 0.55 -0.30 0.57 3.02 0.11 -2.93 115.26 111.69 2qn3 n ASN 631 Ca -0.02 0.62 0.03 0.00 -0.03 0.00 0.00 54.58 55.18 2qn3 n ASN 631 Cb 0.23 -0.75 0.08 0.00 -0.61 0.00 0.00 39.78 38.74 2qn3 n ASN 631 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qn3 n HIS 632 N -2.10 0.22 -3.02 3.10 8.25 -1.18 -4.96 115.22 115.54 2qn3 n HIS 632 Ca 0.03 -0.54 -0.42 0.00 -0.26 0.00 0.00 57.72 56.52 2qn3 n HIS 632 Cb 0.24 -0.06 -0.06 0.00 1.12 0.00 0.00 29.99 31.24 2qn3 n HIS 632 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qn3 s ASP 633 N -1.15 6.49 0.48 0.41 -1.08 -1.15 -4.94 116.67 115.73 2qn3 s ASP 633 Ca 0.13 0.21 0.17 0.00 -0.52 0.00 0.00 52.55 52.54 2qn3 s ASP 633 Cb 0.08 -2.37 1.17 0.00 -1.46 0.00 0.00 42.92 40.35 2qn3 s ASP 633 CO 0.07 -0.70 2.06 -0.65 0.52 0.00 0.00 175.17 176.47 2qn3 h PRO 634 N 8.53 0.00 -0.15 4.34 0.11 -1.93 -2.13 132.00 140.77 2qn3 h PRO 634 Ca -0.25 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 2qn3 h PRO 634 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qn3 h PRO 634 CO 0.89 0.11 -0.39 0.28 -0.21 0.00 0.00 178.00 178.68 2qn3 h VAL 635 N 0.00 1.30 -0.38 3.15 2.07 -1.97 -3.04 116.25 117.38 2qn3 h VAL 635 Ca -0.00 -1.51 -0.10 0.00 0.82 0.00 0.00 66.70 65.91 2qn3 h VAL 635 Cb 0.21 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2qn3 h VAL 635 CO 0.01 0.46 -0.16 0.58 0.02 0.00 0.00 177.57 178.48 2qn3 h VAL 636 N 0.28 1.28 0.00 2.57 2.07 -1.73 -3.49 116.25 117.24 2qn3 h VAL 636 Ca 0.03 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2qn3 h VAL 636 Cb 0.82 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2qn3 h VAL 636 CO 0.07 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.69 2qn3 n GLY 637 N -0.10 2.19 1.78 2.17 0.00 -1.15 -2.56 105.19 107.52 2qn3 n GLY 637 Ca -0.02 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.59 2qn3 n GLY 637 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qn3 n ASP 638 N 3.99 5.17 0.13 1.61 5.75 -1.26 -4.45 116.55 127.48 2qn3 n ASP 638 Ca 0.00 -3.06 0.03 0.00 -0.01 0.00 0.00 54.79 51.75 2qn3 n ASP 638 Cb 0.00 -0.69 0.01 0.00 -1.03 0.00 0.00 41.12 39.42 2qn3 n ASP 638 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2qn3 h ARG 639 N 3.24 0.00 -3.03 0.11 3.08 -1.84 -3.44 114.38 112.50 2qn3 h ARG 639 Ca 0.09 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.93 2qn3 h ARG 639 Cb 2.02 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.76 2qn3 h ARG 639 CO 0.53 0.42 -0.51 -1.17 -1.07 0.00 0.00 179.97 178.17 2qn3 s LEU 640 N -6.30 0.32 -0.02 3.04 2.96 -1.26 -1.51 118.68 115.91 2qn3 s LEU 640 Ca 0.03 0.50 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 2qn3 s LEU 640 Cb 0.08 0.66 0.00 0.00 0.50 0.00 0.00 46.19 47.43 2qn3 s LEU 640 CO 0.75 -0.18 -0.07 -0.13 -1.32 0.00 0.00 176.35 175.40 2qn3 s ARG 641 N 1.48 0.73 -0.18 1.98 1.81 -0.91 -4.68 118.95 119.19 2qn3 s ARG 641 Ca -0.07 -0.23 0.01 0.00 -1.72 0.00 0.00 55.73 53.71 2qn3 s ARG 641 Cb -0.11 -0.70 0.02 0.00 -0.45 0.00 0.00 34.95 33.71 2qn3 s ARG 641 CO -0.08 0.09 -0.17 0.08 -0.68 0.00 0.00 175.30 174.54 2qn3 s VAL 642 N 0.16 1.87 -0.07 3.52 1.01 -1.26 -0.29 120.40 125.35 2qn3 s VAL 642 Ca -0.02 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2qn3 s VAL 642 Cb -0.07 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.57 2qn3 s VAL 642 CO 0.00 0.45 -0.16 -0.63 0.00 0.00 0.00 175.10 174.76 2qn3 s ILE 643 N 1.35 1.43 -0.26 2.22 1.09 -0.21 -4.57 121.20 122.25 2qn3 s ILE 643 Ca 0.04 -0.66 -0.19 0.00 -1.10 0.00 0.00 60.65 58.74 2qn3 s ILE 643 Cb -0.14 -1.26 -0.02 0.00 -1.06 0.00 0.00 42.46 39.97 2qn3 s ILE 643 CO -0.11 0.42 0.55 0.12 -0.10 0.00 0.00 174.94 175.81 2qn3 s PHE 644 N 0.47 3.27 -0.59 3.97 2.19 -1.26 -1.58 117.98 124.45 2qn3 s PHE 644 Ca -0.14 0.69 -0.28 0.00 0.33 0.00 0.00 56.93 57.54 2qn3 s PHE 644 Cb -0.16 -2.76 0.03 0.00 -1.31 0.00 0.00 43.02 38.83 2qn3 s PHE 644 CO 0.05 -0.29 1.17 -0.51 1.83 0.00 0.00 175.22 177.47 2qn3 s LEU 645 N 2.36 3.50 0.34 6.12 1.02 0.48 -4.96 118.68 127.54 2qn3 s LEU 645 Ca 0.23 0.02 -0.27 0.00 0.02 0.00 0.00 54.13 54.12 2qn3 s LEU 645 Cb -0.16 -3.09 -0.09 0.00 0.02 0.00 0.00 46.19 42.88 2qn3 s LEU 645 CO 0.09 -1.48 1.11 -0.70 0.02 0.00 0.00 176.35 175.39 2qn3 s GLU 646 N 4.90 4.36 -1.36 1.70 2.12 -1.26 -3.96 118.70 125.20 2qn3 s GLU 646 Ca 0.41 1.76 -0.07 0.00 0.36 0.00 0.00 54.97 57.43 2qn3 s GLU 646 Cb -0.08 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.45 2qn3 s GLU 646 CO 0.24 -0.03 1.03 -1.71 -0.54 0.00 0.00 175.26 174.24 2qn3 n ASN 647 N 0.57 -4.29 -4.67 -1.70 5.15 -1.25 -4.91 115.26 104.16 2qn3 n ASN 647 Ca 0.02 -0.66 -0.46 0.00 -0.60 0.00 0.00 54.58 52.88 2qn3 n ASN 647 Cb 0.46 -4.64 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 2qn3 n ASN 647 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qn3 n TYR 648 N -4.64 2.33 -3.85 1.20 9.36 -1.26 -4.87 117.16 115.44 2qn3 n TYR 648 Ca -0.09 0.16 -0.10 0.00 3.32 0.00 0.00 57.90 61.19 2qn3 n TYR 648 Cb 0.59 -2.59 0.01 0.00 -0.63 0.00 0.00 39.34 36.72 2qn3 n TYR 648 CO 0.00 0.00 0.00 -0.98 0.22 0.00 0.00 176.86 176.10 2qn3 s ARG 649 N 1.85 2.18 0.15 2.98 1.70 -1.26 -4.71 118.95 121.84 2qn3 s ARG 649 Ca 0.82 -1.47 -0.17 0.00 -0.47 0.00 0.00 55.73 54.44 2qn3 s ARG 649 Cb -0.66 0.60 0.04 0.00 -0.57 0.00 0.00 34.95 34.35 2qn3 s ARG 649 CO 0.41 -1.01 1.74 0.28 -1.08 0.00 0.00 175.30 175.64 2qn3 h VAL 650 N 2.02 0.86 -0.27 4.99 2.07 -1.96 -0.10 116.25 123.86 2qn3 h VAL 650 Ca -0.31 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2qn3 h VAL 650 Cb 1.25 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.66 2qn3 h VAL 650 CO 0.40 0.03 -0.06 0.77 0.02 0.00 0.00 177.57 178.73 2qn3 h SER 651 N 0.19 0.40 -0.36 0.57 4.64 -1.97 -1.79 113.55 115.23 2qn3 h SER 651 Ca 0.14 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 2qn3 h SER 651 Cb 0.15 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 2qn3 h SER 651 CO -0.18 0.51 -0.42 0.25 -0.87 0.00 0.00 176.83 176.13 2qn3 h LEU 652 N 0.41 0.99 -1.01 5.97 5.85 -1.75 -3.10 115.31 122.67 2qn3 h LEU 652 Ca 0.08 -0.48 0.11 0.00 0.84 0.00 0.00 57.88 58.43 2qn3 h LEU 652 Cb 0.37 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2qn3 h LEU 652 CO 0.02 1.27 0.64 0.00 -0.34 0.00 0.00 178.44 180.03 2qn3 h ALA 653 N 0.75 1.50 0.00 1.25 0.00 -0.48 -0.85 119.26 121.42 2qn3 h ALA 653 Ca 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2qn3 h ALA 653 Cb 1.02 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2qn3 h ALA 653 CO 0.10 0.27 -0.04 0.93 0.00 0.00 0.00 179.25 180.51 2qn3 h GLU 654 N 1.03 0.00 0.03 0.00 5.08 -1.27 -2.05 114.58 117.40 2qn3 h GLU 654 Ca 0.49 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.54 2qn3 h GLU 654 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2qn3 h GLU 654 CO -0.25 0.04 -1.69 1.63 -1.00 0.00 0.00 179.01 177.74 2qn3 n LYS 655 N -3.28 0.62 0.09 2.33 5.02 -0.47 -4.52 118.16 117.95 2qn3 n LYS 655 Ca -0.02 0.43 -0.18 0.00 -2.02 0.00 0.00 58.31 56.52 2qn3 n LYS 655 Cb 0.19 -1.69 -0.10 0.00 -0.02 0.00 0.00 35.03 33.40 2qn3 n LYS 655 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 2qn3 h VAL 656 N -0.67 1.36 -0.13 -0.18 3.04 -1.16 -3.34 116.25 115.18 2qn3 h VAL 656 Ca -0.43 -2.58 0.01 0.00 -1.01 0.00 0.00 66.70 62.70 2qn3 h VAL 656 Cb 1.57 2.65 -0.01 0.00 -2.01 0.00 0.00 31.29 33.49 2qn3 h VAL 656 CO -0.16 0.77 0.05 0.40 -1.01 0.00 0.00 177.57 177.62 2qn3 h ILE 657 N 0.22 0.98 -0.04 3.17 2.04 -1.61 -1.42 117.51 120.84 2qn3 h ILE 657 Ca -0.14 -0.04 0.01 0.00 1.00 0.00 0.00 64.86 65.69 2qn3 h ILE 657 Cb 1.82 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.76 2qn3 h ILE 657 CO 0.21 0.02 0.09 -0.65 0.00 0.00 0.00 178.15 177.82 2qn3 h PRO 658 N 0.11 0.00 0.00 2.37 0.11 -1.79 -2.45 132.00 130.35 2qn3 h PRO 658 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2qn3 h PRO 658 Cb 0.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.13 2qn3 h PRO 658 CO -0.05 0.00 -0.49 0.00 -0.21 0.00 0.00 178.00 177.25 2qn3 n ALA 659 N -2.18 3.13 -1.78 -0.75 0.00 -0.57 -4.76 120.51 113.61 2qn3 n ALA 659 Ca -0.02 -0.27 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 2qn3 n ALA 659 Cb 0.17 -1.19 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 2qn3 n ALA 659 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qn3 s ALA 660 N -3.07 3.19 -0.25 0.00 0.00 -0.93 -4.62 121.76 116.08 2qn3 s ALA 660 Ca 0.09 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.74 2qn3 s ALA 660 Cb 0.16 -3.25 -0.18 0.00 0.00 0.00 0.00 23.12 19.85 2qn3 s ALA 660 CO 0.69 -0.05 -0.18 -0.25 0.00 0.00 0.00 175.76 175.97 2qn3 n ASP 661 N 0.41 1.95 -4.02 0.00 8.00 -0.57 -4.12 116.55 118.21 2qn3 n ASP 661 Ca 0.03 -0.11 -0.28 0.00 0.71 0.00 0.00 54.79 55.14 2qn3 n ASP 661 Cb 0.49 -0.42 -0.17 0.00 -0.02 0.00 0.00 41.12 41.00 2qn3 n ASP 661 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qn3 s LEU 662 N -6.54 1.60 -0.27 0.64 0.20 -0.55 -0.75 118.68 113.02 2qn3 s LEU 662 Ca -0.34 -0.39 -0.10 0.00 0.69 0.00 0.00 54.13 53.99 2qn3 s LEU 662 Cb 0.09 -1.01 -0.05 0.00 -0.43 0.00 0.00 46.19 44.79 2qn3 s LEU 662 CO 0.62 -0.02 0.16 -0.55 -0.29 0.00 0.00 176.35 176.27 2qn3 s SER 663 N 1.14 5.85 -0.43 3.68 0.15 0.37 -1.27 113.70 123.18 2qn3 s SER 663 Ca -0.04 -0.03 -0.20 0.00 0.70 0.00 0.00 55.95 56.38 2qn3 s SER 663 Cb -0.14 -2.08 0.02 0.00 -1.71 0.00 0.00 66.02 62.11 2qn3 s SER 663 CO -0.03 -0.03 0.59 -1.61 1.20 0.00 0.00 173.24 173.36 2qn3 s GLU 664 N 1.64 3.23 -0.57 5.44 0.41 -0.77 -1.52 118.70 126.56 2qn3 s GLU 664 Ca 0.07 -0.48 0.06 0.00 -0.41 0.00 0.00 54.97 54.21 2qn3 s GLU 664 Cb -0.16 -3.96 0.21 0.00 -1.78 0.00 0.00 34.13 28.45 2qn3 s GLU 664 CO 0.09 -0.97 0.55 1.04 -0.49 0.00 0.00 175.26 175.48 2qn3 n GLN 665 N 6.09 1.53 -0.72 1.61 1.13 -0.49 -4.79 117.38 121.73 2qn3 n GLN 665 Ca -0.03 -4.05 0.02 0.00 -1.94 0.00 0.00 57.00 51.01 2qn3 n GLN 665 Cb 0.48 -1.94 0.20 0.00 0.11 0.00 0.00 30.24 29.08 2qn3 n GLN 665 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2qn3 n ILE 666 N 1.64 2.29 -1.71 5.09 -5.35 -1.26 -2.51 119.36 117.55 2qn3 n ILE 666 Ca 0.25 -3.23 -0.36 0.00 -0.27 0.00 0.00 62.75 59.15 2qn3 n ILE 666 Cb 0.43 -0.31 0.07 0.00 -1.74 0.00 0.00 39.64 38.09 2qn3 n ILE 666 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2qn3 s SER 667 N -3.14 4.59 0.25 7.28 1.04 -1.25 -4.65 113.70 117.82 2qn3 s SER 667 Ca 0.40 2.53 -0.31 0.00 0.48 0.00 0.00 55.95 59.05 2qn3 s SER 667 Cb 0.38 -2.61 -0.11 0.00 0.10 0.00 0.00 66.02 63.78 2qn3 s SER 667 CO -0.05 -2.01 1.64 -0.89 0.98 0.00 0.00 173.24 172.91 2qn3 s THR 668 N -1.56 2.10 0.04 2.02 2.01 -1.14 -4.67 115.64 114.44 2qn3 s THR 668 Ca 0.80 0.08 -0.36 0.00 0.31 0.00 0.00 61.69 62.52 2qn3 s THR 668 Cb -0.35 -3.05 -0.15 0.00 0.01 0.00 0.00 72.50 68.96 2qn3 s THR 668 CO 0.40 0.01 1.51 0.00 -0.69 0.00 0.00 174.62 175.84 2qn3 n ALA 669 N 3.08 -0.07 -0.27 7.40 0.00 -1.26 -2.05 120.51 127.33 2qn3 n ALA 669 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2qn3 n ALA 669 Cb 0.37 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2qn3 n ALA 669 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qn3 n GLY 670 N 3.15 0.79 0.05 0.00 0.00 -1.26 -4.68 105.19 103.24 2qn3 n GLY 670 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 2qn3 n GLY 670 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qn3 n THR 671 N -2.19 0.56 -2.90 2.61 -2.24 -0.87 -4.91 114.28 104.35 2qn3 n THR 671 Ca 0.00 -0.24 -0.43 0.00 -2.27 0.00 0.00 64.05 61.11 2qn3 n THR 671 Cb 0.00 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.34 2qn3 n THR 671 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2qn3 s GLU 672 N -2.20 3.42 0.16 -0.78 2.56 -1.26 -4.74 118.70 115.86 2qn3 s GLU 672 Ca -0.11 -0.07 -0.17 0.00 0.00 0.00 0.00 54.97 54.61 2qn3 s GLU 672 Cb 0.03 -3.96 0.07 0.00 2.00 0.00 0.00 34.13 32.27 2qn3 s GLU 672 CO 0.25 -1.23 1.70 0.00 -0.56 0.00 0.00 175.26 175.42 2qn3 h ALA 673 N 9.08 0.29 0.00 6.30 0.00 -1.91 -2.91 119.26 130.11 2qn3 h ALA 673 Ca -0.25 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qn3 h ALA 673 Cb 1.08 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2qn3 h ALA 673 CO 1.01 -0.42 0.00 0.45 0.00 0.00 0.00 179.25 180.29 2qn3 n SER 674 N -5.21 0.01 0.00 0.00 2.88 -1.26 -4.16 113.62 105.89 2qn3 n SER 674 Ca 0.01 0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2qn3 n SER 674 Cb 0.19 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 2qn3 n SER 674 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qn3 n GLY 675 N 1.81 -1.72 0.00 0.46 0.00 -1.26 -0.99 105.19 103.49 2qn3 n GLY 675 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2qn3 n GLY 675 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qn3 n THR 676 N -0.51 0.00 -0.32 2.61 -2.24 -1.26 -4.75 114.28 107.80 2qn3 n THR 676 Ca 0.00 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 2qn3 n THR 676 Cb 0.00 -0.21 0.23 0.00 -2.10 0.00 0.00 70.33 68.25 2qn3 n THR 676 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2qn3 h GLY 677 N 0.00 1.48 -0.06 3.38 0.00 -1.96 -1.85 103.07 104.07 2qn3 h GLY 677 Ca 0.00 -0.32 0.17 0.00 0.00 0.00 0.00 47.33 47.18 2qn3 h GLY 677 CO 0.00 0.04 0.28 3.45 0.00 0.00 0.00 176.54 180.31 2qn3 h ASN 678 N 0.77 0.19 0.00 0.19 -0.00 -1.95 -2.37 115.58 112.41 2qn3 h ASN 678 Ca 0.48 0.14 0.00 0.00 -0.00 0.00 0.00 56.30 56.91 2qn3 h ASN 678 Cb 0.59 0.15 0.00 0.00 -0.00 0.00 0.00 38.32 39.06 2qn3 h ASN 678 CO -0.32 0.02 0.00 0.23 -0.00 0.00 0.00 177.43 177.36 2qn3 n MET 679 N -5.07 0.48 0.00 4.14 2.81 -0.70 -2.21 117.12 116.57 2qn3 n MET 679 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 2qn3 n MET 679 Cb 0.51 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.76 2qn3 n MET 679 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2qn3 n PHE 681 N 0.83 0.00 -0.32 2.03 3.72 -0.89 -1.90 117.46 120.93 2qn3 n PHE 681 Ca 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2qn3 n PHE 681 Cb 0.24 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.91 2qn3 n PHE 681 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 176.76 178.69 2qn3 h MET 682 N 0.00 1.04 0.00 -1.08 4.05 -1.65 -2.21 114.93 115.08 2qn3 h MET 682 Ca 0.00 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 2qn3 h MET 682 Cb 0.00 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.56 2qn3 h MET 682 CO 0.00 0.69 -0.30 1.25 0.23 0.00 0.00 176.91 178.78 2qn3 h LEU 683 N 1.07 0.00 -3.03 3.39 5.85 -1.67 -3.24 115.31 117.67 2qn3 h LEU 683 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 2qn3 h LEU 683 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 2qn3 h LEU 683 CO -0.14 0.30 0.00 0.59 -0.34 0.00 0.00 178.44 178.85 2qn3 n ASN 684 N -3.56 4.14 -0.02 1.25 3.02 -0.87 -4.92 115.26 114.30 2qn3 n ASN 684 Ca -0.01 -2.34 0.00 0.00 -0.03 0.00 0.00 54.58 52.20 2qn3 n ASN 684 Cb 0.44 -0.48 0.00 0.00 -0.61 0.00 0.00 39.78 39.12 2qn3 n ASN 684 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qn3 n GLY 685 N 0.89 0.78 3.81 7.41 0.00 -1.09 -4.78 105.19 112.21 2qn3 n GLY 685 Ca 0.22 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 2qn3 n GLY 685 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qn3 s ALA 686 N -2.04 3.66 0.44 4.61 0.00 -0.95 -4.80 121.76 122.68 2qn3 s ALA 686 Ca 0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 2qn3 s ALA 686 Cb 0.00 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 2qn3 s ALA 686 CO 0.00 0.74 0.80 -0.51 0.00 0.00 0.00 175.76 176.79 2qn3 s LEU 687 N -2.10 3.73 -0.16 0.00 1.43 0.07 -4.40 118.68 117.26 2qn3 s LEU 687 Ca 0.27 1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2qn3 s LEU 687 Cb -0.12 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.05 2qn3 s LEU 687 CO 0.19 -0.48 -0.09 -0.89 0.23 0.00 0.00 176.35 175.32 2qn3 s THR 688 N -2.52 3.36 -0.25 5.49 2.01 -1.26 -0.48 115.64 121.98 2qn3 s THR 688 Ca 0.51 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 2qn3 s THR 688 Cb -0.10 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2qn3 s THR 688 CO 0.36 0.49 0.13 -0.51 -0.69 0.00 0.00 174.62 174.40 2qn3 s ILE 689 N 0.59 4.86 0.17 1.82 2.07 -0.58 -1.35 121.20 128.79 2qn3 s ILE 689 Ca -0.05 0.01 -0.23 0.00 -1.41 0.00 0.00 60.65 58.97 2qn3 s ILE 689 Cb -0.15 -3.28 0.06 0.00 0.13 0.00 0.00 42.46 39.22 2qn3 s ILE 689 CO 0.03 0.32 0.69 -0.83 -1.91 0.00 0.00 174.94 173.23 2qn3 s GLY 690 N 1.47 -0.45 0.63 1.50 0.00 -0.42 -1.39 107.32 108.66 2qn3 s GLY 690 Ca 0.06 0.33 -0.08 0.00 0.00 0.00 0.00 44.72 45.04 2qn3 s GLY 690 CO 0.06 0.11 0.97 -0.51 0.00 0.00 0.00 173.10 173.73 2qn3 s THR 691 N -3.69 3.53 -1.36 0.90 -4.23 -1.04 -2.14 115.64 107.61 2qn3 s THR 691 Ca 0.05 0.14 -0.16 0.00 -1.18 0.00 0.00 61.69 60.53 2qn3 s THR 691 Cb -0.02 -3.44 0.05 0.00 1.34 0.00 0.00 72.50 70.43 2qn3 s THR 691 CO -0.07 -0.49 1.95 0.23 -0.54 0.00 0.00 174.62 175.70 2qn3 n MET 692 N -2.74 3.01 -4.08 3.99 2.81 -1.26 -4.69 117.12 114.17 2qn3 n MET 692 Ca 0.05 -2.96 -0.13 0.00 -1.81 0.00 0.00 57.70 52.85 2qn3 n MET 692 Cb 0.58 -3.41 -0.12 0.00 -0.71 0.00 0.00 33.22 29.56 2qn3 n MET 692 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2qn3 s ASP 693 N 3.83 0.72 0.67 7.83 3.68 -1.26 -4.63 116.67 127.50 2qn3 s ASP 693 Ca 0.51 -0.40 0.00 0.00 2.13 0.00 0.00 52.55 54.79 2qn3 s ASP 693 Cb 0.08 0.01 0.00 0.00 -1.45 0.00 0.00 42.92 41.56 2qn3 s ASP 693 CO 0.01 -0.13 0.00 0.61 0.13 0.00 0.00 175.17 175.79 2qn3 n GLY 694 N 1.94 2.51 0.06 2.66 0.00 -1.10 -1.73 105.19 109.54 2qn3 n GLY 694 Ca -0.20 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.75 2qn3 n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qn3 n ALA 695 N 7.99 1.99 -0.34 4.61 0.00 -0.16 -3.18 120.51 131.43 2qn3 n ALA 695 Ca 0.00 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.55 2qn3 n ALA 695 Cb 0.00 -1.39 0.33 0.00 0.00 0.00 0.00 19.45 18.38 2qn3 n ALA 695 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2qn3 h ASN 696 N 0.00 0.68 -0.57 0.00 4.21 -1.53 0.13 115.58 118.50 2qn3 h ASN 696 Ca 0.00 0.11 0.03 0.00 1.21 0.00 0.00 56.30 57.65 2qn3 h ASN 696 Cb 0.47 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.63 2qn3 h ASN 696 CO 0.00 0.19 0.34 0.58 -1.29 0.00 0.00 177.43 177.25 2qn3 h VAL 697 N 0.66 1.05 0.01 2.81 2.07 -1.65 -0.63 116.25 120.56 2qn3 h VAL 697 Ca 0.59 -0.23 -0.21 0.00 0.82 0.00 0.00 66.70 67.67 2qn3 h VAL 697 Cb 0.99 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2qn3 h VAL 697 CO -0.42 0.12 -0.92 -0.33 0.02 0.00 0.00 177.57 176.04 2qn3 h GLU 698 N 0.66 0.26 -0.26 1.57 5.08 -1.51 -2.02 114.58 118.36 2qn3 h GLU 698 Ca 0.23 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2qn3 h GLU 698 Cb 0.04 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 2qn3 h GLU 698 CO -0.11 1.01 0.17 0.52 -1.00 0.00 0.00 179.01 179.60 2qn3 h MET 699 N 0.14 0.35 -0.62 2.33 2.86 -0.71 -0.26 114.93 119.01 2qn3 h MET 699 Ca -0.06 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.50 2qn3 h MET 699 Cb 1.55 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 33.11 2qn3 h MET 699 CO 0.15 0.25 0.16 0.00 1.06 0.00 0.00 176.91 178.53 2qn3 h ALA 700 N 1.08 1.12 -0.59 6.32 0.00 -1.11 -1.37 119.26 124.71 2qn3 h ALA 700 Ca 0.10 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2qn3 h ALA 700 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2qn3 h ALA 700 CO -0.02 0.59 0.25 1.49 0.00 0.00 0.00 179.25 181.57 2qn3 h GLU 701 N 0.92 0.88 -0.24 0.00 4.81 -1.11 0.22 114.58 120.05 2qn3 h GLU 701 Ca 0.20 -0.15 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2qn3 h GLU 701 Cb 0.31 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2qn3 h GLU 701 CO -0.00 0.73 -0.08 0.93 -0.73 0.00 0.00 179.01 179.86 2qn3 h GLU 702 N 0.82 0.47 0.00 1.92 4.39 -0.81 -3.31 114.58 118.06 2qn3 h GLU 702 Ca 0.20 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 2qn3 h GLU 702 Cb 0.17 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2qn3 h GLU 702 CO -0.02 0.72 -0.91 0.00 -1.16 0.00 0.00 179.01 177.64 2qn3 h ALA 703 N 0.74 0.63 0.00 3.43 0.00 -1.24 -3.47 119.26 119.36 2qn3 h ALA 703 Ca 0.06 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2qn3 h ALA 703 Cb 0.55 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qn3 h ALA 703 CO 0.03 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.51 2qn3 n GLY 704 N 1.31 1.78 0.29 0.00 0.00 0.75 -4.65 105.19 104.66 2qn3 n GLY 704 Ca -0.03 -1.43 0.11 0.00 0.00 0.00 0.00 46.02 44.68 2qn3 n GLY 704 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qn3 h GLU 705 N 0.00 0.00 0.00 1.61 5.08 -1.87 -0.22 114.58 119.17 2qn3 h GLU 705 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2qn3 h GLU 705 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qn3 h GLU 705 CO 0.00 0.00 -0.04 0.93 -1.00 0.00 0.00 179.01 178.90 2qn3 h GLU 706 N 0.00 0.00 -0.56 2.33 3.07 -1.90 -2.69 114.58 114.83 2qn3 h GLU 706 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 2qn3 h GLU 706 Cb 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 2qn3 h GLU 706 CO -0.00 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 2qn3 n ASN 707 N -3.68 4.05 -4.26 1.42 3.02 -0.10 -4.92 115.26 110.79 2qn3 n ASN 707 Ca -0.03 -2.29 -0.21 0.00 -0.03 0.00 0.00 54.58 52.02 2qn3 n ASN 707 Cb 0.13 -0.47 -0.12 0.00 -0.61 0.00 0.00 39.78 38.71 2qn3 n ASN 707 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2qn3 s PHE 708 N -1.54 1.60 -0.93 3.10 0.40 -1.02 -4.81 117.98 114.79 2qn3 s PHE 708 Ca 0.43 -0.46 -0.10 0.00 -0.60 0.00 0.00 56.93 56.20 2qn3 s PHE 708 Cb 0.26 -0.86 0.24 0.00 0.51 0.00 0.00 43.02 43.17 2qn3 s PHE 708 CO 0.23 0.18 0.88 -0.06 0.70 0.00 0.00 175.22 177.16 2qn3 s PHE 709 N -1.51 3.96 -0.04 0.36 0.08 -0.45 -4.95 117.98 115.42 2qn3 s PHE 709 Ca 0.07 -2.41 -0.16 0.00 0.12 0.00 0.00 56.93 54.55 2qn3 s PHE 709 Cb -0.08 -3.74 -0.05 0.00 -0.57 0.00 0.00 43.02 38.58 2qn3 s PHE 709 CO 0.04 -0.94 0.42 0.42 -0.10 0.00 0.00 175.22 175.06 2qn3 s ILE 710 N -0.56 5.07 0.17 0.64 1.01 -1.26 -1.30 121.20 124.97 2qn3 s ILE 710 Ca 0.24 0.86 -0.08 0.00 0.00 0.00 0.00 60.65 61.67 2qn3 s ILE 710 Cb -0.10 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 2qn3 s ILE 710 CO -0.08 0.50 0.26 0.72 0.00 0.00 0.00 174.94 176.34 2qn3 s PHE 711 N -0.55 0.50 0.00 3.97 -0.71 -0.91 -4.96 117.98 115.32 2qn3 s PHE 711 Ca 0.24 -0.85 0.00 0.00 -1.04 0.00 0.00 56.93 55.27 2qn3 s PHE 711 Cb -0.16 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.53 2qn3 s PHE 711 CO 0.12 -0.71 0.00 0.41 -1.34 0.00 0.00 175.22 173.70 2qn3 n GLY 712 N -0.21 -0.32 3.77 1.99 0.00 -1.26 -4.24 105.19 104.92 2qn3 n GLY 712 Ca -0.06 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 2qn3 n GLY 712 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2qn3 s MET 713 N -1.01 3.92 0.69 1.61 -1.94 -1.26 -4.91 119.30 116.40 2qn3 s MET 713 Ca 0.00 2.47 -0.06 0.00 -1.71 0.00 0.00 55.69 56.39 2qn3 s MET 713 Cb 0.00 -2.82 0.06 0.00 2.01 0.00 0.00 34.83 34.08 2qn3 s MET 713 CO 0.00 -0.65 0.98 1.03 -0.01 0.00 0.00 175.02 176.38 2qn3 s ARG 714 N -2.25 2.23 0.26 2.03 1.81 -1.26 -4.52 118.95 117.25 2qn3 s ARG 714 Ca 0.56 -0.33 -0.02 0.00 -1.72 0.00 0.00 55.73 54.23 2qn3 s ARG 714 Cb -0.45 -2.21 0.54 0.00 -0.45 0.00 0.00 34.95 32.38 2qn3 s ARG 714 CO 0.59 -1.18 1.70 0.28 -0.68 0.00 0.00 175.30 176.01 2qn3 h VAL 715 N -0.52 0.53 -0.53 3.52 2.07 -1.83 -1.26 116.25 118.23 2qn3 h VAL 715 Ca -0.44 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2qn3 h VAL 715 Cb 1.31 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2qn3 h VAL 715 CO 0.59 0.06 0.24 -0.33 0.02 0.00 0.00 177.57 178.16 2qn3 h GLU 716 N 0.35 0.75 -0.32 1.57 3.07 -1.95 -1.82 114.58 116.23 2qn3 h GLU 716 Ca 0.46 -0.10 -0.14 0.00 -0.50 0.00 0.00 59.36 59.08 2qn3 h GLU 716 Cb 0.79 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.55 2qn3 h GLU 716 CO -0.49 0.60 -0.38 -0.44 -1.40 0.00 0.00 179.01 176.90 2qn3 h ASP 717 N 0.75 0.81 -0.36 1.42 3.45 -1.62 -1.77 116.42 119.09 2qn3 h ASP 717 Ca 0.19 -0.36 -0.01 0.00 0.43 0.00 0.00 57.03 57.28 2qn3 h ASP 717 Cb 0.10 -0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 38.63 2qn3 h ASP 717 CO -0.02 1.09 0.17 0.58 -1.57 0.00 0.00 179.24 179.49 2qn3 h VAL 718 N 0.63 1.17 -0.71 -1.35 2.07 -0.97 -2.07 116.25 115.02 2qn3 h VAL 718 Ca 0.06 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2qn3 h VAL 718 Cb 0.92 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2qn3 h VAL 718 CO 0.08 0.18 0.44 0.44 0.02 0.00 0.00 177.57 178.73 2qn3 h ASP 719 N 0.44 0.72 -0.61 0.57 3.32 -1.21 -1.23 116.42 118.42 2qn3 h ASP 719 Ca 0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2qn3 h ASP 719 Cb 0.12 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 2qn3 h ASP 719 CO -0.02 0.49 0.38 0.03 -1.72 0.00 0.00 179.24 178.40 2qn3 h ARG 720 N 0.85 0.81 -0.37 3.56 3.08 -1.18 -2.11 114.38 119.03 2qn3 h ARG 720 Ca 0.29 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.19 2qn3 h ARG 720 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 2qn3 h ARG 720 CO -0.12 0.57 -0.12 1.25 -1.07 0.00 0.00 179.97 180.48 2qn3 h LEU 721 N 0.82 0.63 -0.58 3.04 6.46 -0.93 -2.51 115.31 122.25 2qn3 h LEU 721 Ca 0.22 -0.18 -0.12 0.00 -0.12 0.00 0.00 57.88 57.68 2qn3 h LEU 721 Cb -0.04 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 2qn3 h LEU 721 CO -0.04 0.78 -0.16 0.44 -0.62 0.00 0.00 178.44 178.84 2qn3 h ASP 722 N 0.59 0.98 -0.64 1.25 3.32 -1.03 0.14 116.42 121.04 2qn3 h ASP 722 Ca 0.10 -0.34 -0.05 0.00 0.02 0.00 0.00 57.03 56.76 2qn3 h ASP 722 Cb 0.55 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 2qn3 h ASP 722 CO 0.03 1.12 0.20 1.56 -1.72 0.00 0.00 179.24 180.43 2qn3 h GLN 723 N 0.86 0.99 -0.01 3.56 4.20 -1.17 -3.03 115.11 120.51 2qn3 h GLN 723 Ca 0.12 -0.22 -0.22 0.00 0.06 0.00 0.00 58.65 58.40 2qn3 h GLN 723 Cb 0.72 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2qn3 h GLN 723 CO 0.06 0.87 -0.92 -0.09 -0.67 0.00 0.00 178.83 178.08 2qn3 h ARG 724 N 0.92 0.41 0.00 1.46 2.43 -1.40 -3.50 114.38 114.70 2qn3 h ARG 724 Ca 0.21 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2qn3 h ARG 724 Cb 0.30 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2qn3 h ARG 724 CO -0.01 1.09 0.00 0.41 -1.51 0.00 0.00 179.97 179.96 2qn3 n GLY 725 N 0.91 2.07 3.64 2.80 0.00 0.49 -5.03 105.19 110.08 2qn3 n GLY 725 Ca -0.06 -1.21 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 2qn3 n GLY 725 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2qn3 s TYR 726 N 0.00 3.20 -0.35 1.61 5.04 -1.19 -4.88 117.35 120.78 2qn3 s TYR 726 Ca 0.00 1.17 0.01 0.00 -2.44 0.00 0.00 57.07 55.81 2qn3 s TYR 726 Cb 0.00 -3.52 0.09 0.00 0.35 0.00 0.00 41.96 38.88 2qn3 s TYR 726 CO 0.00 -0.67 0.07 1.21 -1.34 0.00 0.00 175.55 174.82 2qn3 s ASN 727 N 1.56 4.90 0.39 4.32 2.47 -1.26 -4.98 114.94 122.34 2qn3 s ASN 727 Ca 0.43 -1.91 0.13 0.00 0.42 0.00 0.00 52.86 51.93 2qn3 s ASN 727 Cb -0.13 -1.69 0.79 0.00 -1.45 0.00 0.00 41.25 38.77 2qn3 s ASN 727 CO 0.13 -0.39 1.87 0.00 -3.72 0.00 0.00 177.10 174.99 2qn3 h ALA 728 N 7.82 1.45 -0.69 1.71 0.00 -1.87 -2.90 119.26 124.78 2qn3 h ALA 728 Ca -0.11 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.58 2qn3 h ALA 728 Cb 1.04 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2qn3 h ALA 728 CO 0.57 0.41 0.45 0.37 0.00 0.00 0.00 179.25 181.05 2qn3 h GLN 729 N 0.00 0.62 -0.59 0.00 5.75 -1.92 -1.97 115.11 117.01 2qn3 h GLN 729 Ca -0.00 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.55 2qn3 h GLN 729 Cb 0.58 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 28.92 2qn3 h GLN 729 CO 0.04 0.41 0.22 1.49 -2.65 0.00 0.00 178.83 178.34 2qn3 h GLU 730 N 0.64 0.39 -0.23 1.69 4.81 -1.94 0.12 114.58 120.06 2qn3 h GLU 730 Ca 0.30 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.43 2qn3 h GLU 730 Cb 0.36 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.65 2qn3 h GLU 730 CO -0.10 0.26 -0.19 1.88 -0.73 0.00 0.00 179.01 180.13 2qn3 h TYR 731 N 0.40 0.63 -0.80 0.92 -1.99 -1.53 -2.37 116.97 112.23 2qn3 h TYR 731 Ca 0.29 -0.18 0.11 0.00 2.00 0.00 0.00 58.73 60.95 2qn3 h TYR 731 Cb 0.35 -0.14 -0.08 0.00 2.00 0.00 0.00 36.73 38.87 2qn3 h TYR 731 CO -0.17 0.85 0.43 -0.92 -0.00 0.00 0.00 178.16 178.35 2qn3 h TYR 732 N 0.23 0.76 -0.07 4.88 5.03 -1.16 -1.19 116.97 125.46 2qn3 h TYR 732 Ca 0.04 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.28 2qn3 h TYR 732 Cb 0.73 -0.22 -0.01 0.00 1.55 0.00 0.00 36.73 38.77 2qn3 h TYR 732 CO 0.07 0.27 -0.42 -0.44 -1.32 0.00 0.00 178.16 176.32 2qn3 h ASP 733 N 0.69 0.16 -0.00 -2.11 3.32 -0.62 -3.34 116.42 114.52 2qn3 h ASP 733 Ca 0.40 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2qn3 h ASP 733 Cb 0.44 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2qn3 h ASP 733 CO -0.28 0.56 -0.69 0.54 -1.72 0.00 0.00 179.24 177.65 2qn3 n ARG 734 N -4.02 1.81 -3.97 3.56 1.74 -0.91 -4.81 116.66 110.06 2qn3 n ARG 734 Ca -0.02 -0.11 -0.31 0.00 -0.77 0.00 0.00 57.85 56.65 2qn3 n ARG 734 Cb 0.47 -1.25 -0.15 0.00 -1.02 0.00 0.00 32.46 30.52 2qn3 n ARG 734 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2qn3 s ILE 735 N -2.41 2.08 0.31 0.55 1.01 -0.49 -5.00 121.20 117.25 2qn3 s ILE 735 Ca 0.07 -2.28 0.02 0.00 0.00 0.00 0.00 60.65 58.46 2qn3 s ILE 735 Cb 0.12 -2.54 0.29 0.00 0.01 0.00 0.00 42.46 40.34 2qn3 s ILE 735 CO 0.61 -0.63 1.89 -0.65 0.00 0.00 0.00 174.94 176.16 2qn3 h PRO 736 N 7.59 0.94 -0.19 2.79 0.11 -1.87 -1.83 132.00 139.53 2qn3 h PRO 736 Ca -0.06 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.92 2qn3 h PRO 736 Cb 1.01 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 2qn3 h PRO 736 CO 0.52 0.62 -0.24 0.93 -0.21 0.00 0.00 178.00 179.62 2qn3 h GLU 737 N 0.96 0.35 -0.22 1.05 5.08 -1.95 -1.85 114.58 118.01 2qn3 h GLU 737 Ca 0.42 -0.12 -0.16 0.00 -1.00 0.00 0.00 59.36 58.50 2qn3 h GLU 737 Cb 0.35 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2qn3 h GLU 737 CO -0.18 0.58 -0.50 1.25 -1.00 0.00 0.00 179.01 179.15 2qn3 h LEU 738 N 0.32 0.83 -0.60 1.33 5.85 -1.78 -3.08 115.31 118.17 2qn3 h LEU 738 Ca 0.05 -0.56 0.05 0.00 0.84 0.00 0.00 57.88 58.27 2qn3 h LEU 738 Cb 0.60 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2qn3 h LEU 738 CO 0.04 1.23 0.32 -0.09 -0.34 0.00 0.00 178.44 179.61 2qn3 h ARG 739 N 0.45 0.59 -0.41 1.25 2.43 -1.10 -2.13 114.38 115.46 2qn3 h ARG 739 Ca 0.00 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2qn3 h ARG 739 Cb 1.11 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 2qn3 h ARG 739 CO 0.11 0.39 0.15 0.37 -1.51 0.00 0.00 179.97 179.48 2qn3 h GLN 740 N 0.61 0.31 -0.24 0.20 4.15 -1.37 -0.78 115.11 117.98 2qn3 h GLN 740 Ca 0.27 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.67 2qn3 h GLN 740 Cb 0.17 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 2qn3 h GLN 740 CO -0.18 0.20 0.15 0.82 -1.93 0.00 0.00 178.83 177.90 2qn3 h ILE 741 N 0.32 1.09 -0.76 2.39 2.04 -1.38 -0.05 117.51 121.15 2qn3 h ILE 741 Ca 0.19 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2qn3 h ILE 741 Cb 0.17 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 2qn3 h ILE 741 CO -0.19 0.08 0.34 0.40 0.00 0.00 0.00 178.15 178.78 2qn3 h ILE 742 N 0.31 1.25 -0.74 -0.67 1.08 -1.20 -0.44 117.51 117.09 2qn3 h ILE 742 Ca 0.09 -0.73 -0.06 0.00 -0.39 0.00 0.00 64.86 63.77 2qn3 h ILE 742 Cb 0.00 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 2qn3 h ILE 742 CO -0.02 0.30 0.23 -0.33 -0.69 0.00 0.00 178.15 177.65 2qn3 h GLU 743 N 1.09 1.15 -0.47 2.37 5.08 -0.86 -0.91 114.58 122.03 2qn3 h GLU 743 Ca 0.26 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2qn3 h GLU 743 Cb 0.15 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2qn3 h GLU 743 CO -0.03 0.98 0.20 1.96 -1.00 0.00 0.00 179.01 181.12 2qn3 h GLN 744 N 1.10 0.70 -0.43 2.33 4.20 -0.41 -1.12 115.11 121.49 2qn3 h GLN 744 Ca 0.24 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.80 2qn3 h GLN 744 Cb 0.31 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2qn3 h GLN 744 CO -0.01 0.63 0.17 -0.07 -0.67 0.00 0.00 178.83 178.88 2qn3 h LEU 745 N 0.63 0.59 -0.52 1.46 3.38 -0.95 -1.36 115.31 118.54 2qn3 h LEU 745 Ca 0.16 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2qn3 h LEU 745 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2qn3 h LEU 745 CO -0.01 0.60 -0.18 0.28 0.09 0.00 0.00 178.44 179.22 2qn3 h SER 746 N 0.54 1.03 1.21 -0.43 0.02 -1.08 -3.26 113.55 111.59 2qn3 h SER 746 Ca 0.14 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2qn3 h SER 746 Cb 0.20 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2qn3 h SER 746 CO -0.01 1.18 -0.13 -1.54 -1.14 0.00 0.00 176.83 175.19 2qn3 n SER 747 N -4.12 0.59 0.00 3.07 3.41 -0.43 -4.67 113.62 111.46 2qn3 n SER 747 Ca 0.01 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 2qn3 n SER 747 Cb 0.44 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2qn3 n SER 747 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qn3 n GLY 748 N 1.37 1.33 0.29 5.00 0.00 -1.10 -4.86 105.19 107.22 2qn3 n GLY 748 Ca 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 46.02 45.94 2qn3 n GLY 748 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2qn3 h PHE 749 N 0.00 0.49 -0.40 1.61 3.04 -1.52 -2.31 116.94 117.86 2qn3 h PHE 749 Ca 0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2qn3 h PHE 749 Cb 0.08 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.44 2qn3 h PHE 749 CO 0.00 0.40 0.00 1.19 -2.02 0.00 0.00 178.31 177.88 2qn3 n PHE 750 N -4.39 0.51 -2.95 0.41 3.72 -1.26 -4.59 117.46 108.90 2qn3 n PHE 750 Ca 0.02 -0.25 -0.14 0.00 -0.05 0.00 0.00 57.45 57.03 2qn3 n PHE 750 Cb 0.14 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.67 2qn3 n PHE 750 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 2qn3 n SER 751 N 1.52 -1.96 0.25 4.37 3.41 -0.90 -4.78 113.62 115.53 2qn3 n SER 751 Ca 0.20 -2.92 0.08 0.00 -0.26 0.00 0.00 58.87 55.96 2qn3 n SER 751 Cb 0.62 0.87 0.62 0.00 -0.26 0.00 0.00 64.21 66.06 2qn3 n SER 751 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2qn3 h PRO 752 N 4.50 0.00 0.00 4.33 0.11 -1.73 -2.45 132.00 136.76 2qn3 h PRO 752 Ca 0.02 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.08 2qn3 h PRO 752 Cb 1.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 2qn3 h PRO 752 CO 0.29 0.08 -1.06 0.87 -0.21 0.00 0.00 178.00 177.97 2qn3 h LYS 753 N 0.00 0.00 -2.86 1.05 1.57 -1.96 -3.39 116.57 110.98 2qn3 h LYS 753 Ca -0.00 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.17 2qn3 h LYS 753 Cb 0.14 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.05 2qn3 h LYS 753 CO 0.01 0.09 -0.73 -0.65 -0.57 0.00 0.00 179.45 177.61 2qn3 s GLN 754 N -3.22 1.77 0.49 3.15 -0.21 -0.94 -5.01 119.66 115.69 2qn3 s GLN 754 Ca -0.01 -2.72 0.20 0.00 0.02 0.00 0.00 55.36 52.86 2qn3 s GLN 754 Cb 0.09 -2.62 1.24 0.00 1.00 0.00 0.00 33.01 32.71 2qn3 s GLN 754 CO 0.79 -1.29 1.98 -1.35 -2.12 0.00 0.00 175.29 173.30 2qn3 h PRO 755 N 5.73 0.18 -0.52 2.91 0.11 -1.72 -2.15 132.00 136.54 2qn3 h PRO 755 Ca 0.15 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 2qn3 h PRO 755 Cb 0.84 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.91 2qn3 h PRO 755 CO 0.57 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 2qn3 n ASP 756 N -4.43 4.60 -0.31 -2.05 3.85 -1.26 -3.30 116.55 113.65 2qn3 n ASP 756 Ca 0.10 -2.62 0.08 0.00 -0.71 0.00 0.00 54.79 51.65 2qn3 n ASP 756 Cb 0.53 -0.56 0.24 0.00 -1.35 0.00 0.00 41.12 39.98 2qn3 n ASP 756 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 2qn3 h LEU 757 N 3.37 0.57 -3.40 -2.12 5.85 -1.72 -2.37 115.31 115.50 2qn3 h LEU 757 Ca 0.00 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 2qn3 h LEU 757 Cb 1.49 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.48 2qn3 h LEU 757 CO 0.26 0.23 0.09 0.49 -0.34 0.00 0.00 178.44 179.17 2qn3 n PHE 758 N -4.86 2.03 -0.24 1.25 3.01 -1.26 -4.53 117.46 112.86 2qn3 n PHE 758 Ca 0.18 -0.81 0.00 0.00 1.01 0.00 0.00 57.45 57.83 2qn3 n PHE 758 Cb 0.46 -0.54 0.22 0.00 -0.01 0.00 0.00 39.48 39.61 2qn3 n PHE 758 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2qn3 h LYS 759 N 3.23 1.04 -0.65 -1.08 2.10 -1.74 -2.13 116.57 117.35 2qn3 h LYS 759 Ca 0.08 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.67 2qn3 h LYS 759 Cb 1.98 -0.23 -0.03 0.00 -0.90 0.00 0.00 32.23 33.04 2qn3 h LYS 759 CO 0.53 0.69 0.39 -0.44 -2.00 0.00 0.00 179.45 178.62 2qn3 h ASP 760 N 1.07 0.79 -0.04 7.07 3.32 -1.84 -0.51 116.42 126.28 2qn3 h ASP 760 Ca 0.29 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2qn3 h ASP 760 Cb -0.12 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 2qn3 h ASP 760 CO -0.06 0.63 0.01 0.40 -1.72 0.00 0.00 179.24 178.50 2qn3 h ILE 761 N 0.89 1.16 -0.43 0.35 2.04 -1.76 -1.35 117.51 118.40 2qn3 h ILE 761 Ca 0.23 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2qn3 h ILE 761 Cb -0.01 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 2qn3 h ILE 761 CO -0.04 0.13 0.29 0.58 0.00 0.00 0.00 178.15 179.10 2qn3 h VAL 762 N -0.12 1.11 -0.43 1.67 2.07 -1.30 -1.14 116.25 118.11 2qn3 h VAL 762 Ca 0.01 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2qn3 h VAL 762 Cb 0.19 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2qn3 h VAL 762 CO -0.00 0.11 0.25 -1.13 0.02 0.00 0.00 177.57 176.82 2qn3 h ASN 763 N 0.58 0.41 -0.02 0.57 -1.24 -1.02 0.10 115.58 114.97 2qn3 h ASN 763 Ca 0.16 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 2qn3 h ASN 763 Cb -0.07 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 38.90 2qn3 h ASN 763 CO -0.04 0.29 0.01 -0.03 -1.29 0.00 0.00 177.43 176.38 2qn3 h MET 764 N 0.51 0.03 -0.66 6.67 4.05 -1.06 0.48 114.93 124.94 2qn3 h MET 764 Ca 0.17 -0.00 0.05 0.00 -0.28 0.00 0.00 59.70 59.64 2qn3 h MET 764 Cb 0.01 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 2qn3 h MET 764 CO -0.08 0.09 0.37 -0.07 0.23 0.00 0.00 176.91 177.45 2qn3 h LEU 765 N -0.04 0.56 -0.23 3.39 4.07 -0.94 -0.55 115.31 121.58 2qn3 h LEU 765 Ca 0.01 0.02 -0.20 0.00 0.08 0.00 0.00 57.88 57.79 2qn3 h LEU 765 Cb 0.07 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2qn3 h LEU 765 CO -0.00 0.37 -0.91 0.24 -1.08 0.00 0.00 178.44 177.06 2qn3 h MET 766 N 0.70 0.15 0.00 1.13 2.86 -0.86 -3.42 114.93 115.49 2qn3 h MET 766 Ca 0.29 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 2qn3 h MET 766 Cb 0.16 0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2qn3 h MET 766 CO -0.17 0.96 -0.78 0.72 1.06 0.00 0.00 176.91 178.70 2qn3 n HIS 767 N -3.60 0.00 -2.96 -0.22 8.25 0.15 -4.45 115.22 112.39 2qn3 n HIS 767 Ca -0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 2qn3 n HIS 767 Cb 0.84 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.97 2qn3 n HIS 767 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2qn3 n HIS 768 N -1.53 -0.73 -3.18 4.41 -0.00 -0.29 -5.04 115.22 108.87 2qn3 n HIS 768 Ca 0.00 -3.09 -0.44 0.00 -0.00 0.00 0.00 57.72 54.19 2qn3 n HIS 768 Cb 0.28 0.30 -0.06 0.00 -0.00 0.00 0.00 29.99 30.51 2qn3 n HIS 768 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2qn3 s ASP 769 N -2.11 6.19 0.60 4.39 2.15 -0.77 -4.82 116.67 122.30 2qn3 s ASP 769 Ca 0.32 -1.28 0.38 0.00 0.43 0.00 0.00 52.55 52.40 2qn3 s ASP 769 Cb 0.35 -2.27 1.91 0.00 -0.30 0.00 0.00 42.92 42.60 2qn3 s ASP 769 CO -0.06 -0.95 2.20 0.03 -0.17 0.00 0.00 175.17 176.22 2qn3 h ARG 770 N 9.03 0.00 -0.20 4.34 3.08 -1.97 -3.23 114.38 125.43 2qn3 h ARG 770 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2qn3 h ARG 770 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 2qn3 h ARG 770 CO 1.02 0.02 0.00 1.19 -1.07 0.00 0.00 179.97 181.13 2qn3 n PHE 771 N -3.22 0.28 -3.72 3.04 3.72 -1.26 -5.02 117.46 111.29 2qn3 n PHE 771 Ca -0.02 -0.53 -0.22 0.00 -0.05 0.00 0.00 57.45 56.64 2qn3 n PHE 771 Cb 0.17 -0.05 0.03 0.00 -0.94 0.00 0.00 39.48 38.69 2qn3 n PHE 771 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2qn3 n LYS 772 N 0.02 -4.83 -0.11 -1.08 5.02 -1.22 -4.75 118.16 111.20 2qn3 n LYS 772 Ca 0.07 0.61 -0.06 0.00 -2.02 0.00 0.00 58.31 56.92 2qn3 n LYS 772 Cb 0.38 -5.15 0.02 0.00 -0.02 0.00 0.00 35.03 30.26 2qn3 n LYS 772 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qn3 h VAL 773 N -1.87 0.86 -0.61 -0.18 2.07 -1.94 -2.69 116.25 111.89 2qn3 h VAL 773 Ca -0.61 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 2qn3 h VAL 773 Cb 1.36 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2qn3 h VAL 773 CO 0.57 0.05 0.32 -0.26 0.02 0.00 0.00 177.57 178.26 2qn3 h PHE 774 N 0.25 0.83 0.00 1.57 0.05 -1.92 -3.04 116.94 114.68 2qn3 h PHE 774 Ca 0.18 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.93 2qn3 h PHE 774 Cb 0.18 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 37.86 2qn3 h PHE 774 CO -0.16 0.59 -0.08 0.00 -0.18 0.00 0.00 178.31 178.47 2qn3 h ALA 775 N 1.50 1.67 -0.02 2.45 0.00 -1.86 -2.33 119.26 120.67 2qn3 h ALA 775 Ca 0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2qn3 h ALA 775 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2qn3 h ALA 775 CO -0.03 0.10 -0.08 -0.25 0.00 0.00 0.00 179.25 178.99 2qn3 n ASP 776 N -4.15 2.60 0.12 0.00 8.00 -1.16 -4.71 116.55 117.25 2qn3 n ASP 776 Ca -0.03 -1.80 -0.13 0.00 0.71 0.00 0.00 54.79 53.54 2qn3 n ASP 776 Cb 0.16 0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.28 2qn3 n ASP 776 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2qn3 h TYR 777 N 3.80 -0.25 0.12 1.24 5.03 -1.35 -1.38 116.97 124.17 2qn3 h TYR 777 Ca 0.00 -0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 2qn3 h TYR 777 Cb 0.85 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 39.21 2qn3 h TYR 777 CO 0.00 -0.15 -0.08 0.93 -1.32 0.00 0.00 178.16 177.54 2qn3 h GLU 778 N -0.24 -0.19 -0.52 1.82 5.08 -1.84 -1.67 114.58 117.02 2qn3 h GLU 778 Ca -0.01 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qn3 h GLU 778 Cb 0.21 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2qn3 h GLU 778 CO 0.01 -0.13 0.31 0.93 -1.00 0.00 0.00 179.01 179.13 2qn3 h GLU 779 N -0.20 0.69 0.13 2.33 5.08 -1.88 -1.92 114.58 118.82 2qn3 h GLU 779 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2qn3 h GLU 779 Cb 0.17 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2qn3 h GLU 779 CO 0.00 0.49 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.52 2qn3 h TYR 780 N 0.71 -0.16 -0.87 4.33 3.20 -0.94 -1.20 116.97 122.04 2qn3 h TYR 780 Ca 0.19 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 2qn3 h TYR 780 Cb -0.03 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.25 2qn3 h TYR 780 CO 0.00 0.07 0.49 0.28 -1.64 0.00 0.00 178.16 177.36 2qn3 h VAL 781 N -0.38 1.25 -0.28 1.81 2.07 -1.16 -0.81 116.25 118.76 2qn3 h VAL 781 Ca -0.02 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2qn3 h VAL 781 Cb 0.31 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2qn3 h VAL 781 CO 0.03 0.27 0.17 0.50 0.02 0.00 0.00 177.57 178.56 2qn3 h LYS 782 N 1.20 0.38 -0.82 1.57 1.63 -1.32 -2.27 116.57 116.94 2qn3 h LYS 782 Ca 0.31 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 2qn3 h LYS 782 Cb -0.00 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 2qn3 h LYS 782 CO -0.05 0.28 0.39 0.00 -3.45 0.00 0.00 179.45 176.62 2qn3 h GLN 784 N 1.16 0.45 -0.67 0.00 1.08 -0.93 -1.78 115.11 114.42 2qn3 h GLN 784 Ca 0.28 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 2qn3 h GLN 784 Cb 0.13 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 2qn3 h GLN 784 CO -0.03 0.33 0.15 0.93 -0.95 0.00 0.00 178.83 179.25 2qn3 h GLU 785 N 0.46 1.09 -0.26 1.46 5.08 -0.95 -2.21 114.58 119.25 2qn3 h GLU 785 Ca 0.12 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 2qn3 h GLU 785 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2qn3 h GLU 785 CO -0.02 0.98 -0.09 0.00 -1.00 0.00 0.00 179.01 178.87 2qn3 h ARG 786 N 1.01 0.42 -0.01 2.33 3.08 -1.13 -1.27 114.38 118.81 2qn3 h ARG 786 Ca 0.21 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 2qn3 h ARG 786 Cb 0.39 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 2qn3 h ARG 786 CO 0.01 0.52 0.00 0.28 -1.07 0.00 0.00 179.97 179.71 2qn3 h VAL 787 N 0.39 1.14 -0.85 2.04 2.07 -1.15 -2.49 116.25 117.39 2qn3 h VAL 787 Ca 0.08 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.19 2qn3 h VAL 787 Cb 0.41 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2qn3 h VAL 787 CO 0.02 0.11 0.56 0.28 0.02 0.00 0.00 177.57 178.56 2qn3 h SER 788 N -0.17 0.99 -0.21 0.57 0.02 -1.14 -1.64 113.55 111.97 2qn3 h SER 788 Ca 0.00 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 2qn3 h SER 788 Cb 0.18 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2qn3 h SER 788 CO -0.00 0.72 0.08 0.00 -1.14 0.00 0.00 176.83 176.49 2qn3 h ALA 789 N 1.45 0.23 -0.37 3.77 0.00 -1.17 -2.79 119.26 120.38 2qn3 h ALA 789 Ca 0.31 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.16 2qn3 h ALA 789 Cb -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2qn3 h ALA 789 CO -0.07 -0.35 -0.12 1.25 0.00 0.00 0.00 179.25 179.96 2qn3 h LEU 790 N 0.18 0.65 -1.60 0.00 6.46 -1.07 -2.96 115.31 116.97 2qn3 h LEU 790 Ca 0.09 -0.19 -0.04 0.00 -0.12 0.00 0.00 57.88 57.62 2qn3 h LEU 790 Cb 0.05 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 2qn3 h LEU 790 CO -0.09 0.80 -0.21 0.22 -0.62 0.00 0.00 178.44 178.55 2qn3 h TYR 791 N 0.60 0.00 0.00 1.25 3.20 -1.10 -1.32 116.97 119.61 2qn3 h TYR 791 Ca 0.10 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2qn3 h TYR 791 Cb 0.56 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.83 2qn3 h TYR 791 CO 0.02 0.21 0.00 0.87 -1.64 0.00 0.00 178.16 177.62 2qn3 h LYS 792 N 0.00 0.00 -3.26 1.82 1.57 -1.32 -3.34 116.57 112.05 2qn3 h LYS 792 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2qn3 h LYS 792 Cb 0.48 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.40 2qn3 h LYS 792 CO 0.03 0.00 -0.46 1.21 -0.57 0.00 0.00 179.45 179.66 2qn3 s ASN 793 N -4.60 5.01 0.28 0.86 3.84 -0.50 -4.99 114.94 114.85 2qn3 s ASN 793 Ca -0.01 -3.53 0.02 0.00 0.21 0.00 0.00 52.86 49.56 2qn3 s ASN 793 Cb 0.09 -1.72 0.62 0.00 -0.55 0.00 0.00 41.25 39.69 2qn3 s ASN 793 CO 0.35 -0.17 1.79 -0.65 -2.79 0.00 0.00 177.10 175.63 2qn3 h PRO 794 N 5.96 0.79 -0.49 0.43 0.11 -1.77 -0.37 132.00 136.66 2qn3 h PRO 794 Ca 0.08 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2qn3 h PRO 794 Cb 0.82 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2qn3 h PRO 794 CO 0.74 0.52 0.14 -0.09 -0.21 0.00 0.00 178.00 179.10 2qn3 h ARG 795 N 0.81 0.77 -0.05 1.05 2.43 -1.94 -0.92 114.38 116.54 2qn3 h ARG 795 Ca 0.52 -0.18 -0.19 0.00 -0.81 0.00 0.00 59.98 59.33 2qn3 h ARG 795 Cb 0.69 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2qn3 h ARG 795 CO -0.33 0.74 -0.78 0.93 -1.51 0.00 0.00 179.97 179.01 2qn3 h GLU 796 N 0.67 0.36 -0.11 0.20 4.39 -1.64 -1.48 114.58 116.97 2qn3 h GLU 796 Ca 0.16 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.57 2qn3 h GLU 796 Cb 0.30 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2qn3 h GLU 796 CO -0.00 0.98 -0.09 2.35 -1.16 0.00 0.00 179.01 181.08 2qn3 h TRP 797 N 0.24 -0.23 -0.45 4.33 2.91 -0.99 -2.47 115.95 119.29 2qn3 h TRP 797 Ca -0.04 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.92 2qn3 h TRP 797 Cb 1.37 0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 30.12 2qn3 h TRP 797 CO 0.04 -0.15 -0.05 1.15 -1.03 0.00 0.00 178.44 178.41 2qn3 h THR 798 N -0.11 1.25 -0.79 2.65 2.02 -1.06 -1.74 112.91 115.13 2qn3 h THR 798 Ca 0.08 -1.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.16 2qn3 h THR 798 Cb 0.22 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 2qn3 h THR 798 CO -0.18 0.36 0.34 0.03 0.37 0.00 0.00 175.52 176.45 2qn3 h ARG 799 N 0.70 1.16 -0.42 6.66 3.08 -1.16 -0.54 114.38 123.85 2qn3 h ARG 799 Ca 0.13 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 2qn3 h ARG 799 Cb 0.50 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 2qn3 h ARG 799 CO 0.03 0.92 -0.22 1.98 -1.07 0.00 0.00 179.97 181.60 2qn3 h MET 800 N 1.14 0.83 -0.16 0.04 4.05 -1.14 -2.35 114.93 117.34 2qn3 h MET 800 Ca 0.27 -0.34 0.04 0.00 -0.28 0.00 0.00 59.70 59.38 2qn3 h MET 800 Cb 0.17 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 2qn3 h MET 800 CO -0.03 0.97 -0.06 0.28 0.23 0.00 0.00 176.91 178.31 2qn3 h VAL 801 N 0.73 0.79 -1.00 -5.77 2.07 -0.87 -1.89 116.25 110.30 2qn3 h VAL 801 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.71 2qn3 h VAL 801 Cb 0.75 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 2qn3 h VAL 801 CO 0.06 0.00 0.64 0.40 0.02 0.00 0.00 177.57 178.69 2qn3 h ILE 802 N -0.03 1.01 -0.12 4.57 2.04 -0.92 -0.29 117.51 123.77 2qn3 h ILE 802 Ca 0.08 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.52 2qn3 h ILE 802 Cb 0.16 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 2qn3 h ILE 802 CO -0.18 0.20 -0.16 0.03 0.00 0.00 0.00 178.15 178.03 2qn3 h ARG 803 N 1.09 0.19 0.16 2.37 3.08 -0.96 -0.87 114.38 119.44 2qn3 h ARG 803 Ca 0.46 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.46 2qn3 h ARG 803 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2qn3 h ARG 803 CO -0.22 0.36 -0.08 -0.91 -1.07 0.00 0.00 179.97 178.05 2qn3 h ASN 804 N 0.18 -0.18 -0.75 7.04 2.35 -0.32 -3.16 115.58 120.74 2qn3 h ASN 804 Ca 0.03 -0.35 0.09 0.00 -0.55 0.00 0.00 56.30 55.52 2qn3 h ASN 804 Cb 0.40 0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 2qn3 h ASN 804 CO 0.03 0.34 0.40 0.40 -1.65 0.00 0.00 177.43 176.95 2qn3 h ILE 805 N -0.80 0.89 0.00 2.81 2.04 -1.11 -2.06 117.51 119.29 2qn3 h ILE 805 Ca -0.02 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 2qn3 h ILE 805 Cb 0.53 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 2qn3 h ILE 805 CO 0.04 0.13 -0.07 0.00 0.00 0.00 0.00 178.15 178.24 2qn3 h ALA 806 N 1.42 1.26 -0.22 1.87 0.00 -1.25 -2.80 119.26 119.54 2qn3 h ALA 806 Ca 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2qn3 h ALA 806 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qn3 h ALA 806 CO -0.24 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.35 2qn3 n THR 807 N -3.54 2.03 1.29 0.00 -2.24 -0.80 -2.20 114.28 108.82 2qn3 n THR 807 Ca -0.02 -1.81 0.14 0.00 -2.27 0.00 0.00 64.05 60.09 2qn3 n THR 807 Cb 0.19 -0.14 0.51 0.00 -2.10 0.00 0.00 70.33 68.80 2qn3 n THR 807 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qn3 n SER 808 N -0.54 0.59 -0.33 3.42 3.41 -1.05 -4.41 113.62 114.72 2qn3 n SER 808 Ca 0.19 -0.55 0.13 0.00 -0.26 0.00 0.00 58.87 58.38 2qn3 n SER 808 Cb 0.78 -0.01 0.32 0.00 -0.26 0.00 0.00 64.21 65.03 2qn3 n SER 808 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qn3 h GLY 809 N 4.96 1.70 1.14 5.00 0.00 -1.80 -1.26 103.07 112.81 2qn3 h GLY 809 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 47.33 47.15 2qn3 h GLY 809 CO 0.00 -0.16 0.33 1.70 0.00 0.00 0.00 176.54 178.42 2qn3 h LYS 810 N 0.61 0.00 -0.65 4.80 3.64 -1.89 -2.73 116.57 120.35 2qn3 h LYS 810 Ca 0.57 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.95 2qn3 h LYS 810 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 2qn3 h LYS 810 CO -0.44 0.00 0.00 1.19 -2.27 0.00 0.00 179.45 177.93 2qn3 n PHE 811 N -3.92 1.32 -2.49 1.91 3.01 -0.48 -4.74 117.46 112.07 2qn3 n PHE 811 Ca 0.06 -0.49 -0.41 0.00 1.01 0.00 0.00 57.45 57.61 2qn3 n PHE 811 Cb 0.50 -0.28 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 2qn3 n PHE 811 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qn3 s SER 812 N -0.72 7.22 0.26 4.37 0.15 -1.03 -0.81 113.70 123.15 2qn3 s SER 812 Ca 0.40 2.09 0.22 0.00 0.70 0.00 0.00 55.95 59.37 2qn3 s SER 812 Cb 0.28 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.99 2qn3 s SER 812 CO 0.16 -0.27 1.67 -1.54 1.20 0.00 0.00 173.24 174.47 2qn3 n SER 813 N 2.59 0.60 -0.28 5.45 3.41 -0.11 -1.78 113.62 123.49 2qn3 n SER 813 Ca 0.04 0.69 -0.05 0.00 -0.26 0.00 0.00 58.87 59.28 2qn3 n SER 813 Cb 0.46 -0.80 0.06 0.00 -0.26 0.00 0.00 64.21 63.67 2qn3 n SER 813 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2qn3 h ASP 814 N 0.00 0.98 -0.10 4.04 3.32 -1.92 0.06 116.42 122.80 2qn3 h ASP 814 Ca 0.00 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 2qn3 h ASP 814 Cb 0.24 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2qn3 h ASP 814 CO 0.00 0.80 0.02 -0.09 -1.72 0.00 0.00 179.24 178.26 2qn3 h ARG 815 N 1.08 0.16 -0.27 3.56 1.12 -1.66 -1.85 114.38 116.52 2qn3 h ARG 815 Ca 0.27 -0.04 0.06 0.00 -1.11 0.00 0.00 59.98 59.16 2qn3 h ARG 815 Cb 0.05 -0.02 -0.05 0.00 -0.01 0.00 0.00 29.97 29.94 2qn3 h ARG 815 CO -0.04 0.34 -0.09 1.15 -3.11 0.00 0.00 179.97 178.22 2qn3 h THR 816 N -0.05 0.69 -0.54 0.20 2.02 -1.42 -2.24 112.91 111.57 2qn3 h THR 816 Ca 0.03 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.11 2qn3 h THR 816 Cb 0.25 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 2qn3 h THR 816 CO 0.00 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 176.23 2qn3 h ILE 817 N -0.03 1.26 -0.79 3.11 1.08 -0.96 -1.66 117.51 119.52 2qn3 h ILE 817 Ca 0.13 -1.18 0.05 0.00 -0.39 0.00 0.00 64.86 63.47 2qn3 h ILE 817 Cb 0.23 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 2qn3 h ILE 817 CO -0.29 0.42 0.52 0.00 -0.69 0.00 0.00 178.15 178.10 2qn3 h ALA 818 N 1.05 1.57 -0.14 1.87 0.00 -1.12 0.15 119.26 122.64 2qn3 h ALA 818 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 2qn3 h ALA 818 Cb 0.59 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2qn3 h ALA 818 CO 0.04 0.34 -0.20 1.96 0.00 0.00 0.00 179.25 181.38 2qn3 h GLN 819 N 0.93 0.39 -0.41 0.00 4.20 -0.92 -1.48 115.11 117.82 2qn3 h GLN 819 Ca 0.32 -0.23 0.08 0.00 0.06 0.00 0.00 58.65 58.88 2qn3 h GLN 819 Cb 0.12 0.02 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 2qn3 h GLN 819 CO -0.10 0.81 -0.02 1.88 -0.67 0.00 0.00 178.83 180.72 2qn3 h TYR 820 N 0.00 -0.07 -0.20 2.96 0.05 -1.01 0.45 116.97 119.14 2qn3 h TYR 820 Ca 0.02 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.85 2qn3 h TYR 820 Cb 0.77 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.58 2qn3 h TYR 820 CO 0.09 -0.10 0.07 0.00 -1.05 0.00 0.00 178.16 177.17 2qn3 h ALA 821 N 1.37 0.23 0.10 3.88 0.00 -0.62 0.07 119.26 124.29 2qn3 h ALA 821 Ca 0.20 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.84 2qn3 h ALA 821 Cb 0.29 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.11 2qn3 h ALA 821 CO -0.35 -0.35 -1.19 0.00 0.00 0.00 0.00 179.25 177.35 2qn3 h ARG 822 N 0.17 0.62 0.00 0.00 3.08 -1.14 0.67 114.38 117.78 2qn3 h ARG 822 Ca 0.09 -0.81 0.00 0.00 0.07 0.00 0.00 59.98 59.33 2qn3 h ARG 822 Cb 0.05 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2qn3 h ARG 822 CO -0.09 1.37 -1.51 0.39 -1.07 0.00 0.00 179.97 179.06 2qn3 n GLU 823 N -3.83 0.48 0.01 0.04 1.02 0.14 -4.33 120.64 114.17 2qn3 n GLU 823 Ca -0.13 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 56.92 2qn3 n GLU 823 Cb 0.96 -1.57 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 2qn3 n GLU 823 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2qn3 n ILE 824 N -2.14 0.30 0.18 -3.67 5.41 -0.13 -4.87 119.36 114.43 2qn3 n ILE 824 Ca -0.01 0.10 0.11 0.00 1.00 0.00 0.00 62.75 63.94 2qn3 n ILE 824 Cb 0.50 -1.47 0.10 0.00 -0.71 0.00 0.00 39.64 38.07 2qn3 n ILE 824 CO 0.00 0.00 0.00 -0.50 0.00 0.00 0.00 176.55 176.05 2qn3 h TRP 825 N 0.00 0.00 -3.67 1.39 6.55 -1.15 -3.48 115.95 115.59 2qn3 h TRP 825 Ca 0.00 0.00 -0.20 0.00 0.95 0.00 0.00 58.89 59.64 2qn3 h TRP 825 Cb 0.71 0.00 0.08 0.00 -0.86 0.00 0.00 29.16 29.09 2qn3 h TRP 825 CO 0.00 0.07 -0.37 0.41 -1.05 0.00 0.00 178.44 177.49 2qn3 n GLY 826 N 1.14 0.12 3.11 1.49 0.00 0.05 -4.93 105.19 106.17 2qn3 n GLY 826 Ca 0.02 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.71 2qn3 n GLY 826 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qn3 s VAL 827 N -3.17 0.78 -0.23 1.61 -7.23 -0.17 -5.02 120.40 106.96 2qn3 s VAL 827 Ca 0.21 -1.19 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 2qn3 s VAL 827 Cb -0.09 -0.82 -0.05 0.00 0.56 0.00 0.00 36.38 35.98 2qn3 s VAL 827 CO 0.38 -0.33 0.16 -1.61 -0.31 0.00 0.00 175.10 173.40 2qn3 s GLU 828 N -1.70 4.11 0.82 4.82 0.41 -1.26 -3.51 118.70 122.39 2qn3 s GLU 828 Ca -0.06 -0.23 -0.11 0.00 -0.41 0.00 0.00 54.97 54.16 2qn3 s GLU 828 Cb -0.10 -3.51 0.09 0.00 -1.78 0.00 0.00 34.13 28.84 2qn3 s GLU 828 CO 0.01 0.12 1.12 -1.25 -0.49 0.00 0.00 175.26 174.77 2qn3 s PRO 829 N 0.87 1.79 -0.06 0.39 0.04 -1.26 -4.95 135.00 131.82 2qn3 s PRO 829 Ca 0.08 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 2qn3 s PRO 829 Cb -0.13 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.62 2qn3 s PRO 829 CO 0.03 -2.02 0.13 0.45 0.04 0.00 0.00 177.00 175.63 2qn3 s SER 830 N -3.02 0.03 0.00 6.66 0.15 0.48 -5.03 113.70 112.98 2qn3 s SER 830 Ca 0.64 0.27 0.24 0.00 0.70 0.00 0.00 55.95 57.79 2qn3 s SER 830 Cb -0.20 0.16 0.67 0.00 -1.71 0.00 0.00 66.02 64.93 2qn3 s SER 830 CO 0.56 -0.16 1.52 0.54 1.20 0.00 0.00 173.24 176.90 2qn3 n ARG 831 N 4.36 1.97 -2.39 5.44 5.12 -1.26 -3.14 116.66 126.76 2qn3 n ARG 831 Ca -0.24 -1.44 -0.41 0.00 -1.93 0.00 0.00 57.85 53.83 2qn3 n ARG 831 Cb 0.51 -1.45 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 2qn3 n ARG 831 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2qn3 s GLN 832 N -1.82 4.55 0.37 5.56 -0.21 -1.26 -5.00 119.66 121.84 2qn3 s GLN 832 Ca 0.34 1.88 -0.27 0.00 0.02 0.00 0.00 55.36 57.33 2qn3 s GLN 832 Cb 0.20 -3.20 -0.09 0.00 1.00 0.00 0.00 33.01 30.92 2qn3 s GLN 832 CO 0.30 0.04 1.28 1.03 -2.12 0.00 0.00 175.29 175.82 2qn3 s ARG 833 N -0.98 4.14 0.29 2.91 3.00 -1.26 -4.97 118.95 122.08 2qn3 s ARG 833 Ca 0.48 2.14 -0.14 0.00 0.00 0.00 0.00 55.73 58.21 2qn3 s ARG 833 Cb -0.33 -2.87 -0.09 0.00 0.00 0.00 0.00 34.95 31.66 2qn3 s ARG 833 CO 0.41 -0.34 0.69 -0.51 0.00 0.00 0.00 175.30 175.54 2qn3 s LEU 834 N -2.18 4.11 0.34 2.53 1.43 -0.54 -5.05 118.68 119.32 2qn3 s LEU 834 Ca 0.54 1.21 -0.29 0.00 -1.03 0.00 0.00 54.13 54.56 2qn3 s LEU 834 Cb -0.38 -3.94 -0.11 0.00 0.03 0.00 0.00 46.19 41.79 2qn3 s LEU 834 CO 0.49 -0.15 1.53 -2.16 0.23 0.00 0.00 176.35 176.28 2qn3 s PRO 835 N -2.85 4.13 0.00 1.29 0.04 -1.26 -4.60 135.00 131.74 2qn3 s PRO 835 Ca 0.52 2.56 0.08 0.00 0.04 0.00 0.00 61.00 64.19 2qn3 s PRO 835 Cb -0.11 -3.00 0.49 0.00 0.04 0.00 0.00 34.50 31.92 2qn3 s PRO 835 CO 0.18 -0.56 0.94 0.00 0.04 0.00 0.00 177.00 177.60