#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qnj n ALA 44 N 0.00 1.93 -3.50 4.61 0.00 -1.26 -4.79 120.51 117.49 2qnj n ALA 44 Ca 0.00 0.41 -0.22 0.00 0.00 0.00 0.00 53.44 53.63 2qnj n ALA 44 Cb 0.00 -2.40 -0.13 0.00 0.00 0.00 0.00 19.45 16.91 2qnj n ALA 44 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2qnj s MET 45 N 0.46 0.20 0.00 0.00 1.75 -1.26 -5.05 119.30 115.40 2qnj s MET 45 Ca 0.73 -0.13 0.00 0.00 -1.25 0.00 0.00 55.69 55.04 2qnj s MET 45 Cb -0.59 -1.18 0.00 0.00 2.84 0.00 0.00 34.83 35.89 2qnj s MET 45 CO 0.41 -0.84 0.00 0.41 -0.65 0.00 0.00 175.02 174.34 2qnj n GLY 46 N 5.29 1.86 3.64 2.11 0.00 -1.26 -4.68 105.19 112.15 2qnj n GLY 46 Ca -0.05 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 2qnj n GLY 46 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qnj s SER 47 N -0.20 6.68 -1.75 1.61 0.15 -1.26 -4.13 113.70 114.80 2qnj s SER 47 Ca 0.00 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.10 2qnj s SER 47 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2qnj s SER 47 CO 0.00 -1.03 0.00 0.47 1.20 0.00 0.00 173.24 173.88 2qnj n ASP 48 N 7.52 -5.47 -4.03 5.45 10.43 -1.26 -5.00 116.55 124.19 2qnj n ASP 48 Ca 0.15 0.11 -0.18 0.00 2.57 0.00 0.00 54.79 57.45 2qnj n ASP 48 Cb 0.46 -4.55 0.09 0.00 1.84 0.00 0.00 41.12 38.95 2qnj n ASP 48 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2qnj n GLU 49 N -2.74 0.14 -1.54 -1.24 4.07 -1.26 -5.10 120.64 112.98 2qnj n GLU 49 Ca -0.22 -2.17 -0.31 0.00 -0.06 0.00 0.00 57.16 54.41 2qnj n GLU 49 Cb 0.66 -0.47 0.06 0.00 -0.06 0.00 0.00 31.44 31.64 2qnj n GLU 49 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2qnj s GLN 50 N -4.44 2.65 0.90 5.31 -0.21 -1.26 -5.00 119.66 117.60 2qnj s GLN 50 Ca 0.51 0.89 -0.12 0.00 0.02 0.00 0.00 55.36 56.65 2qnj s GLN 50 Cb -0.03 -1.96 0.07 0.00 1.00 0.00 0.00 33.01 32.09 2qnj s GLN 50 CO 0.34 -1.29 0.77 -2.30 -2.12 0.00 0.00 175.29 170.69 2qnj n PRO 51 N -3.25 -0.22 -4.13 2.91 -0.02 -1.26 -4.78 135.00 124.25 2qnj n PRO 51 Ca 0.07 -0.01 -0.15 0.00 -2.02 0.00 0.00 63.50 61.40 2qnj n PRO 51 Cb 0.54 -2.11 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 2qnj n PRO 51 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2qnj s HIS 52 N -2.39 0.72 -0.08 6.00 -3.43 -1.26 -1.10 115.29 113.76 2qnj s HIS 52 Ca 0.63 -0.37 0.05 0.00 -0.80 0.00 0.00 55.06 54.57 2qnj s HIS 52 Cb -0.24 -0.44 -0.00 0.00 -1.43 0.00 0.00 32.58 30.47 2qnj s HIS 52 CO 0.61 -0.04 -0.23 -1.50 -2.00 0.00 0.00 174.74 171.58 2qnj s ILE 53 N -0.98 1.97 0.00 -5.38 1.10 -0.45 -4.66 121.20 112.79 2qnj s ILE 53 Ca -0.05 -0.99 0.00 0.00 -0.51 0.00 0.00 60.65 59.10 2qnj s ILE 53 Cb -0.08 -1.68 0.00 0.00 0.15 0.00 0.00 42.46 40.85 2qnj s ILE 53 CO 0.00 0.54 0.00 0.61 -2.11 0.00 0.00 174.94 173.99 2qnj n GLY 54 N 3.25 2.02 1.36 1.50 0.00 -1.26 -0.35 105.19 111.70 2qnj n GLY 54 Ca -0.18 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2qnj n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qnj n ASN 55 N -0.87 3.81 -4.06 1.61 3.02 -1.26 -4.86 115.26 112.64 2qnj n ASN 55 Ca 0.00 -2.42 -0.28 0.00 -0.03 0.00 0.00 54.58 51.85 2qnj n ASN 55 Cb 0.00 -0.70 -0.17 0.00 -0.61 0.00 0.00 39.78 38.30 2qnj n ASN 55 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2qnj s TYR 56 N -0.72 1.89 -0.20 3.10 1.51 0.52 -1.31 117.35 122.14 2qnj s TYR 56 Ca 0.12 -0.83 -0.28 0.00 -1.01 0.00 0.00 57.07 55.07 2qnj s TYR 56 Cb 0.10 -1.36 -0.00 0.00 -0.11 0.00 0.00 41.96 40.60 2qnj s TYR 56 CO 0.02 -0.42 0.97 0.50 -1.11 0.00 0.00 175.55 175.51 2qnj s ARG 57 N 0.85 4.28 -0.23 -0.62 6.06 0.55 -1.34 118.95 128.50 2qnj s ARG 57 Ca -0.10 1.25 -0.25 0.00 -2.50 0.00 0.00 55.73 54.13 2qnj s ARG 57 Cb -0.15 -3.61 -0.01 0.00 0.06 0.00 0.00 34.95 31.24 2qnj s ARG 57 CO 0.01 -0.51 0.85 -0.51 -2.50 0.00 0.00 175.30 172.64 2qnj s LEU 58 N 2.76 4.10 -0.25 -0.88 1.43 -0.26 -0.51 118.68 125.08 2qnj s LEU 58 Ca 0.43 1.09 -0.11 0.00 -1.03 0.00 0.00 54.13 54.50 2qnj s LEU 58 Cb -0.16 -3.22 -0.16 0.00 0.03 0.00 0.00 46.19 42.68 2qnj s LEU 58 CO 0.09 -0.51 -0.15 0.18 0.23 0.00 0.00 176.35 176.19 2qnj n LEU 59 N 5.90 2.26 -3.63 1.79 4.77 0.89 -4.45 117.00 124.53 2qnj n LEU 59 Ca 0.06 0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 56.21 2qnj n LEU 59 Cb 0.48 -0.90 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 2qnj n LEU 59 CO 0.48 0.64 0.97 -1.59 -1.33 0.00 0.00 177.39 176.56 2qnj s LYS 60 N -2.49 0.29 -0.07 3.23 -2.85 -1.23 -5.00 119.74 111.62 2qnj s LYS 60 Ca -0.35 0.20 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 2qnj s LYS 60 Cb 0.11 0.14 -0.03 0.00 -2.06 0.00 0.00 37.83 35.99 2qnj s LYS 60 CO 0.56 -0.07 1.26 0.99 0.10 0.00 0.00 175.35 178.20 2qnj s THR 61 N -0.45 4.15 -0.38 3.79 2.01 -1.26 -1.29 115.64 122.20 2qnj s THR 61 Ca 0.05 1.47 0.03 0.00 0.31 0.00 0.00 61.69 63.55 2qnj s THR 61 Cb -0.03 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.59 2qnj s THR 61 CO -0.07 -0.03 0.79 2.30 -0.69 0.00 0.00 174.62 176.92 2qnj n ILE 62 N 4.79 0.38 -3.57 1.82 -5.35 -0.39 -4.94 119.36 112.11 2qnj n ILE 62 Ca 0.12 -0.69 -0.02 0.00 -0.27 0.00 0.00 62.75 61.89 2qnj n ILE 62 Cb 0.45 0.85 -0.05 0.00 -1.74 0.00 0.00 39.64 39.15 2qnj n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2qnj s GLY 63 N -0.56 -0.30 0.24 3.28 0.00 -1.14 -4.97 107.32 103.87 2qnj s GLY 63 Ca 0.05 2.85 0.11 0.00 0.00 0.00 0.00 44.72 47.73 2qnj s GLY 63 CO 0.05 2.84 -0.19 0.54 0.00 0.00 0.00 173.10 176.34 2qnj s LYS 64 N 2.01 1.55 0.00 2.90 3.01 -1.26 -0.18 119.74 127.76 2qnj s LYS 64 Ca -0.07 -1.67 0.00 0.00 -1.01 0.00 0.00 55.97 53.22 2qnj s LYS 64 Cb -0.06 -1.59 0.00 0.00 -1.01 0.00 0.00 37.83 35.17 2qnj s LYS 64 CO -0.17 0.30 0.00 0.41 0.51 0.00 0.00 175.35 176.40 2qnj n GLY 65 N -0.39 3.93 7.00 -3.33 0.00 -0.78 -4.98 105.19 106.64 2qnj n GLY 65 Ca -0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2qnj n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qnj n ASN 66 N 0.00 0.00 0.00 1.61 5.15 -1.26 -3.40 115.26 117.36 2qnj n ASN 66 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 2qnj n ASN 66 Cb 0.00 0.00 0.71 0.00 -0.53 0.00 0.00 39.78 39.96 2qnj n ASN 66 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 2qnj n PHE 67 N 12.26 0.00 -4.05 1.20 3.72 -1.26 -4.86 117.46 124.47 2qnj n PHE 67 Ca 0.00 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.26 2qnj n PHE 67 Cb 0.00 0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.40 2qnj n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qnj s ALA 68 N -2.00 0.28 0.23 4.37 0.00 -1.22 -2.28 121.76 121.14 2qnj s ALA 68 Ca 0.36 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.21 2qnj s ALA 68 Cb 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2qnj s ALA 68 CO 0.28 0.05 -0.05 0.21 0.00 0.00 0.00 175.76 176.25 2qnj s LYS 69 N -0.24 2.17 -0.06 0.00 2.20 -0.40 -1.86 119.74 121.56 2qnj s LYS 69 Ca -0.00 -1.37 0.02 0.00 -0.36 0.00 0.00 55.97 54.26 2qnj s LYS 69 Cb -0.02 -2.14 0.02 0.00 -1.51 0.00 0.00 37.83 34.17 2qnj s LYS 69 CO -0.00 0.39 -0.09 0.08 -0.36 0.00 0.00 175.35 175.37 2qnj s VAL 70 N -2.08 0.92 0.05 4.02 1.01 0.75 -1.05 120.40 124.02 2qnj s VAL 70 Ca 0.29 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.00 2qnj s VAL 70 Cb -0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2qnj s VAL 70 CO 0.18 0.31 -0.24 -0.54 0.00 0.00 0.00 175.10 174.81 2qnj s LYS 71 N 0.77 1.57 0.18 2.72 1.02 -0.62 -1.26 119.74 124.12 2qnj s LYS 71 Ca -0.13 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.51 2qnj s LYS 71 Cb -0.15 -1.74 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 2qnj s LYS 71 CO 0.02 0.44 1.17 -1.17 -0.92 0.00 0.00 175.35 174.89 2qnj s LEU 72 N -1.28 4.46 0.12 3.17 2.96 -0.41 0.07 118.68 127.76 2qnj s LEU 72 Ca 0.10 2.20 -0.00 0.00 -0.22 0.00 0.00 54.13 56.20 2qnj s LEU 72 Cb -0.09 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 2qnj s LEU 72 CO 0.02 -0.33 0.01 0.00 -1.32 0.00 0.00 176.35 174.74 2qnj s ALA 73 N -0.13 0.90 -0.09 5.97 0.00 -0.15 -0.08 121.76 128.19 2qnj s ALA 73 Ca 0.52 -1.43 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2qnj s ALA 73 Cb -0.32 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 2qnj s ALA 73 CO 0.36 -0.40 -0.16 0.50 0.00 0.00 0.00 175.76 176.06 2qnj s ARG 74 N -3.97 2.91 -0.22 0.00 3.52 0.34 -0.57 118.95 120.95 2qnj s ARG 74 Ca 0.19 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 2qnj s ARG 74 Cb 0.07 -2.44 -0.01 0.00 -1.56 0.00 0.00 34.95 31.02 2qnj s ARG 74 CO -0.01 0.38 1.30 -1.58 -0.81 0.00 0.00 175.30 174.58 2qnj s HIS 75 N -0.11 2.73 0.20 5.12 5.65 0.72 -0.33 115.29 129.27 2qnj s HIS 75 Ca -0.03 0.92 -0.11 0.00 0.25 0.00 0.00 55.06 56.09 2qnj s HIS 75 Cb -0.14 -3.70 0.19 0.00 -1.18 0.00 0.00 32.58 27.75 2qnj s HIS 75 CO 0.04 -1.79 1.81 0.82 -0.65 0.00 0.00 174.74 174.97 2qnj h ILE 76 N 5.72 1.00 0.00 0.89 2.04 -1.53 0.47 117.51 126.10 2qnj h ILE 76 Ca -0.27 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.36 2qnj h ILE 76 Cb 1.10 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2qnj h ILE 76 CO 1.00 0.12 0.00 -0.07 0.00 0.00 0.00 178.15 179.20 2qnj h LEU 77 N 0.67 0.00 0.00 1.44 3.38 -1.92 -3.37 115.31 115.52 2qnj h LEU 77 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2qnj h LEU 77 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2qnj h LEU 77 CO -0.15 0.00 0.00 0.41 0.09 0.00 0.00 178.44 178.79 2qnj n THR 78 N -2.94 0.00 0.00 0.22 -1.04 -1.05 -5.05 114.28 104.42 2qnj n THR 78 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2qnj n THR 78 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 2qnj n THR 78 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qnj n GLY 79 N 0.32 2.88 3.69 3.41 0.00 0.16 -5.01 105.19 110.64 2qnj n GLY 79 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2qnj n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qnj n ARG 80 N -0.39 1.53 -3.12 1.61 5.12 -1.26 -4.43 116.66 115.72 2qnj n ARG 80 Ca 0.00 0.56 -0.37 0.00 -1.93 0.00 0.00 57.85 56.11 2qnj n ARG 80 Cb 0.00 -2.36 -0.06 0.00 -1.16 0.00 0.00 32.46 28.88 2qnj n ARG 80 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2qnj s GLU 81 N -2.56 4.26 0.24 5.56 2.02 -1.26 -0.20 118.70 126.76 2qnj s GLU 81 Ca 0.69 0.86 0.01 0.00 0.02 0.00 0.00 54.97 56.54 2qnj s GLU 81 Cb -0.46 -2.97 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 2qnj s GLU 81 CO 0.52 0.45 0.11 0.14 0.02 0.00 0.00 175.26 176.49 2qnj s VAL 82 N -1.43 0.41 -0.20 2.63 -7.23 0.26 -4.56 120.40 110.27 2qnj s VAL 82 Ca 0.40 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 2qnj s VAL 82 Cb -0.18 -2.60 0.01 0.00 0.56 0.00 0.00 36.38 34.18 2qnj s VAL 82 CO 0.21 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 174.87 2qnj s ALA 83 N -3.86 2.53 -0.29 1.32 0.00 0.46 -0.98 121.76 120.94 2qnj s ALA 83 Ca 0.38 -1.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 2qnj s ALA 83 Cb 0.08 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.77 2qnj s ALA 83 CO 0.13 -0.47 0.10 0.42 0.00 0.00 0.00 175.76 175.94 2qnj s ILE 84 N 1.34 4.28 0.10 0.00 1.01 0.11 -0.17 121.20 127.86 2qnj s ILE 84 Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.92 2qnj s ILE 84 Cb -0.14 -3.15 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 2qnj s ILE 84 CO -0.09 0.14 1.15 -0.54 0.00 0.00 0.00 174.94 175.60 2qnj s LYS 85 N 1.57 4.50 -0.22 2.79 1.02 0.10 -1.59 119.74 127.90 2qnj s LYS 85 Ca 0.04 1.72 0.02 0.00 0.02 0.00 0.00 55.97 57.77 2qnj s LYS 85 Cb -0.17 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2qnj s LYS 85 CO 0.04 -0.13 -0.13 0.42 -0.92 0.00 0.00 175.35 174.63 2qnj s ILE 86 N 0.61 1.96 -0.13 2.17 1.01 -0.22 -0.81 121.20 125.80 2qnj s ILE 86 Ca 0.55 -1.25 0.02 0.00 0.00 0.00 0.00 60.65 59.97 2qnj s ILE 86 Cb -0.29 -1.99 0.00 0.00 0.01 0.00 0.00 42.46 40.20 2qnj s ILE 86 CO 0.31 0.18 -0.21 -0.63 0.00 0.00 0.00 174.94 174.59 2qnj s ILE 87 N 1.25 2.20 -0.61 2.92 1.01 -0.49 -1.28 121.20 126.20 2qnj s ILE 87 Ca -0.03 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.42 2qnj s ILE 87 Cb -0.17 -1.88 0.04 0.00 0.01 0.00 0.00 42.46 40.46 2qnj s ILE 87 CO -0.08 0.55 1.08 -0.62 0.00 0.00 0.00 174.94 175.86 2qnj s ASP 88 N 0.69 6.32 0.41 3.58 -1.08 -0.97 -0.74 116.67 124.87 2qnj s ASP 88 Ca -0.10 -0.32 0.10 0.00 -0.52 0.00 0.00 52.55 51.71 2qnj s ASP 88 Cb -0.16 -2.49 0.85 0.00 -1.46 0.00 0.00 42.92 39.66 2qnj s ASP 88 CO 0.01 -1.44 1.97 0.11 0.52 0.00 0.00 175.17 176.34 2qnj h LYS 89 N 9.54 0.27 -0.94 4.34 1.57 -1.03 -2.78 116.57 127.53 2qnj h LYS 89 Ca -0.26 -0.05 0.25 0.00 -1.87 0.00 0.00 60.65 58.72 2qnj h LYS 89 Cb 1.06 -0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.20 2qnj h LYS 89 CO 1.16 0.33 0.45 1.15 -0.57 0.00 0.00 179.45 181.97 2qnj h THR 90 N 0.26 0.42 -0.00 -0.16 2.02 -1.89 -0.51 112.91 113.05 2qnj h THR 90 Ca 0.06 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.11 2qnj h THR 90 Cb 0.26 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2qnj h THR 90 CO 0.01 0.07 -0.00 0.00 0.37 0.00 0.00 175.52 175.97 2qnj n GLN 91 N -5.05 0.01 -3.84 6.66 3.00 -1.05 -4.87 117.38 112.24 2qnj n GLN 91 Ca 0.25 -0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.89 2qnj n GLN 91 Cb 0.76 -1.50 -0.05 0.00 0.00 0.00 0.00 30.24 29.44 2qnj n GLN 91 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2qnj s LEU 92 N -2.99 4.38 0.67 1.08 1.43 -0.20 -5.11 118.68 117.95 2qnj s LEU 92 Ca 0.14 0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 53.66 2qnj s LEU 92 Cb 0.19 -2.39 0.04 0.00 0.03 0.00 0.00 46.19 44.07 2qnj s LEU 92 CO 0.53 0.33 0.99 0.54 0.23 0.00 0.00 176.35 178.97 2qnj s ASN 93 N -1.44 5.06 0.38 2.29 2.20 -1.26 -4.87 114.94 117.30 2qnj s ASN 93 Ca 0.22 0.56 0.09 0.00 -0.94 0.00 0.00 52.86 52.79 2qnj s ASN 93 Cb -0.13 -1.31 0.76 0.00 -2.00 0.00 0.00 41.25 38.57 2qnj s ASN 93 CO 0.11 -1.44 1.91 -0.65 -2.94 0.00 0.00 177.10 174.09 2qnj h PRO 94 N -0.49 0.26 -0.20 3.55 0.11 -1.99 -0.50 132.00 132.74 2qnj h PRO 94 Ca -0.45 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2qnj h PRO 94 Cb 1.30 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 2qnj h PRO 94 CO 0.61 0.40 0.09 1.15 -0.21 0.00 0.00 178.00 180.03 2qnj h THR 95 N 0.25 1.14 -0.52 -1.15 2.02 -1.99 -1.80 112.91 110.85 2qnj h THR 95 Ca 0.05 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.84 2qnj h THR 95 Cb 0.38 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 2qnj h THR 95 CO 0.02 0.13 0.33 0.28 0.37 0.00 0.00 175.52 176.66 2qnj h SER 96 N 0.19 0.60 -0.58 4.18 0.02 -1.76 -1.39 113.55 114.80 2qnj h SER 96 Ca 0.07 -0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2qnj h SER 96 Cb 0.12 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 2qnj h SER 96 CO -0.01 0.45 0.36 0.25 -1.14 0.00 0.00 176.83 176.74 2qnj h LEU 97 N 0.70 0.59 -0.23 5.07 5.85 -0.93 0.31 115.31 126.67 2qnj h LEU 97 Ca 0.19 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 2qnj h LEU 97 Cb -0.06 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2qnj h LEU 97 CO -0.04 0.41 -0.16 -0.61 -0.34 0.00 0.00 178.44 177.70 2qnj h GLN 98 N 0.71 0.51 -0.47 1.25 4.15 -1.14 -2.22 115.11 117.90 2qnj h GLN 98 Ca 0.23 -0.25 0.04 0.00 0.77 0.00 0.00 58.65 59.44 2qnj h GLN 98 Cb 0.01 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 2qnj h GLN 98 CO -0.09 0.81 0.24 -0.22 -1.93 0.00 0.00 178.83 177.64 2qnj h LYS 99 N 0.21 0.47 -0.13 1.69 3.64 -0.71 -2.26 116.57 119.48 2qnj h LYS 99 Ca 0.04 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2qnj h LYS 99 Cb 0.69 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.34 2qnj h LYS 99 CO 0.04 0.31 -0.29 1.25 -2.27 0.00 0.00 179.45 178.49 2qnj h LEU 100 N 0.48 -0.92 -1.36 5.20 5.85 -0.26 -0.64 115.31 123.67 2qnj h LEU 100 Ca 0.20 0.14 0.01 0.00 0.84 0.00 0.00 57.88 59.07 2qnj h LEU 100 Cb 0.09 0.39 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 2qnj h LEU 100 CO -0.13 -0.34 0.44 -0.26 -0.34 0.00 0.00 178.44 177.81 2qnj h PHE 101 N -0.37 0.82 -0.21 1.25 0.04 -1.08 0.16 116.94 117.55 2qnj h PHE 101 Ca 0.10 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.76 2qnj h PHE 101 Cb 0.52 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2qnj h PHE 101 CO -0.39 0.51 -0.40 0.00 -0.60 0.00 0.00 178.31 177.43 2qnj h ARG 102 N 0.88 0.50 -0.44 1.51 2.47 -1.10 0.30 114.38 118.49 2qnj h ARG 102 Ca 0.25 -0.25 -0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2qnj h ARG 102 Cb -0.07 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 2qnj h ARG 102 CO -0.06 0.82 0.06 0.93 0.56 0.00 0.00 179.97 182.28 2qnj h GLU 103 N 0.41 0.73 -0.96 0.04 5.08 0.14 -0.47 114.58 119.55 2qnj h GLU 103 Ca 0.04 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2qnj h GLU 103 Cb 0.88 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.00 2qnj h GLU 103 CO 0.07 0.76 0.61 0.28 -1.00 0.00 0.00 179.01 179.74 2qnj h VAL 104 N 0.59 1.26 -0.89 3.13 2.07 -0.45 0.96 116.25 122.91 2qnj h VAL 104 Ca 0.13 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.18 2qnj h VAL 104 Cb 0.39 -0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 2qnj h VAL 104 CO 0.01 0.26 0.57 -0.09 0.02 0.00 0.00 177.57 178.34 2qnj h ARG 105 N 1.32 1.06 -0.37 1.57 2.43 -0.63 -1.97 114.38 117.78 2qnj h ARG 105 Ca 0.35 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 2qnj h ARG 105 Cb -0.10 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.19 2qnj h ARG 105 CO -0.07 0.70 0.14 0.82 -1.51 0.00 0.00 179.97 180.05 2qnj h ILE 106 N 1.09 1.19 -0.48 1.20 2.04 -0.15 -2.97 117.51 119.43 2qnj h ILE 106 Ca 0.36 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.72 2qnj h ILE 106 Cb 0.05 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 2qnj h ILE 106 CO -0.13 0.21 -0.01 -0.03 0.00 0.00 0.00 178.15 178.20 2qnj h MET 107 N 0.45 0.11 -1.04 2.37 4.05 -0.45 -0.17 114.93 120.25 2qnj h MET 107 Ca 0.12 -0.01 0.26 0.00 -0.28 0.00 0.00 59.70 59.80 2qnj h MET 107 Cb 0.20 -0.02 -0.10 0.00 -0.80 0.00 0.00 31.60 30.87 2qnj h MET 107 CO -0.01 0.07 0.65 0.87 0.23 0.00 0.00 176.91 178.72 2qnj h LYS 108 N 0.11 0.43 0.00 0.39 1.57 -1.21 -1.72 116.57 116.13 2qnj h LYS 108 Ca 0.24 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 2qnj h LYS 108 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2qnj h LYS 108 CO -0.41 0.28 -0.49 0.82 -0.57 0.00 0.00 179.45 179.09 2qnj h ILE 109 N 0.44 0.95 -3.46 1.86 2.04 -0.95 -3.43 117.51 114.95 2qnj h ILE 109 Ca 0.61 -1.99 -0.57 0.00 1.00 0.00 0.00 64.86 63.91 2qnj h ILE 109 Cb 1.44 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 39.69 2qnj h ILE 109 CO -0.35 0.48 0.96 -0.76 0.00 0.00 0.00 178.15 178.48 2qnj s LEU 110 N -6.78 3.71 -0.48 1.44 1.43 -0.65 -4.95 118.68 112.40 2qnj s LEU 110 Ca 0.02 0.75 0.04 0.00 -1.03 0.00 0.00 54.13 53.91 2qnj s LEU 110 Cb 0.09 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.93 2qnj s LEU 110 CO 0.72 -1.21 0.36 0.20 0.23 0.00 0.00 176.35 176.65 2qnj s ASN 111 N 2.73 2.57 -0.02 2.29 -0.87 -1.26 -4.73 114.94 115.65 2qnj s ASN 111 Ca 0.52 -3.17 0.01 0.00 -1.57 0.00 0.00 52.86 48.65 2qnj s ASN 111 Cb -0.11 -0.79 0.01 0.00 -0.02 0.00 0.00 41.25 40.35 2qnj s ASN 111 CO 0.28 -0.17 -0.03 -2.28 -2.57 0.00 0.00 177.10 172.34 2qnj s HIS 112 N -0.23 0.37 -0.12 2.20 2.46 -1.26 -4.92 115.29 113.79 2qnj s HIS 112 Ca 0.29 -0.06 0.08 0.00 0.47 0.00 0.00 55.06 55.84 2qnj s HIS 112 Cb -0.02 -0.32 0.46 0.00 -0.13 0.00 0.00 32.58 32.56 2qnj s HIS 112 CO -0.16 -0.06 1.11 -0.35 -2.47 0.00 0.00 174.74 172.81 2qnj n PRO 113 N 3.46 0.06 -0.05 2.88 -0.04 -1.26 -1.19 135.00 138.86 2qnj n PRO 113 Ca -0.19 0.48 0.02 0.00 -0.04 0.00 0.00 63.50 63.77 2qnj n PRO 113 Cb 0.55 -2.00 0.02 0.00 -0.04 0.00 0.00 33.50 32.03 2qnj n PRO 113 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2qnj n ASN 114 N -1.81 1.42 -4.36 3.54 4.13 -1.26 -4.91 115.26 112.01 2qnj n ASN 114 Ca -0.01 -1.93 -0.33 0.00 1.68 0.00 0.00 54.58 54.00 2qnj n ASN 114 Cb 0.32 -0.08 -0.15 0.00 -1.54 0.00 0.00 39.78 38.33 2qnj n ASN 114 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qnj s ILE 115 N -0.98 2.88 0.16 2.41 1.01 -0.34 -0.21 121.20 126.13 2qnj s ILE 115 Ca 0.05 -0.73 -0.33 0.00 0.00 0.00 0.00 60.65 59.63 2qnj s ILE 115 Cb 0.05 -2.18 -0.13 0.00 0.01 0.00 0.00 42.46 40.20 2qnj s ILE 115 CO 0.00 0.54 1.64 1.33 0.00 0.00 0.00 174.94 178.45 2qnj n VAL 116 N 3.34 0.04 -3.36 2.92 0.24 -0.35 -4.54 118.33 116.62 2qnj n VAL 116 Ca -0.18 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.34 61.79 2qnj n VAL 116 Cb 0.53 -1.69 -0.06 0.00 -1.47 0.00 0.00 33.84 31.15 2qnj n VAL 116 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2qnj s LYS 117 N 1.17 3.87 -0.02 7.34 0.00 -1.26 -4.88 119.74 125.96 2qnj s LYS 117 Ca 0.78 0.38 -0.23 0.00 0.00 0.00 0.00 55.97 56.91 2qnj s LYS 117 Cb -0.63 -2.67 -0.05 0.00 0.00 0.00 0.00 37.83 34.48 2qnj s LYS 117 CO 0.37 0.33 0.68 -1.17 0.00 0.00 0.00 175.35 175.56 2qnj s LEU 118 N -2.66 4.38 -0.17 2.77 0.20 -1.26 -1.20 118.68 120.74 2qnj s LEU 118 Ca 0.46 1.24 0.03 0.00 0.69 0.00 0.00 54.13 56.55 2qnj s LEU 118 Cb -0.12 -3.07 -0.12 0.00 -0.43 0.00 0.00 46.19 42.45 2qnj s LEU 118 CO 0.20 -0.01 -0.13 0.49 -0.29 0.00 0.00 176.35 176.61 2qnj n PHE 119 N 3.19 0.00 -3.59 5.38 3.72 0.13 -4.97 117.46 121.32 2qnj n PHE 119 Ca -0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.20 2qnj n PHE 119 Cb 0.51 -0.67 -0.07 0.00 -0.94 0.00 0.00 39.48 38.31 2qnj n PHE 119 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2qnj s GLU 120 N -2.35 0.94 -0.18 -1.08 2.12 -1.18 -3.76 118.70 113.21 2qnj s GLU 120 Ca -0.21 0.26 -0.02 0.00 0.36 0.00 0.00 54.97 55.35 2qnj s GLU 120 Cb 0.06 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.88 2qnj s GLU 120 CO 0.42 -0.27 -0.09 0.08 -0.54 0.00 0.00 175.26 174.87 2qnj s VAL 121 N -1.01 3.17 -0.18 3.70 1.01 -0.46 -0.87 120.40 125.76 2qnj s VAL 121 Ca -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 2qnj s VAL 121 Cb -0.02 -2.39 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2qnj s VAL 121 CO 0.08 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.93 2qnj s ILE 122 N 1.00 3.21 -0.18 2.22 1.01 -0.03 -4.72 121.20 123.70 2qnj s ILE 122 Ca -0.01 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.07 2qnj s ILE 122 Cb -0.15 -2.41 0.03 0.00 0.01 0.00 0.00 42.46 39.95 2qnj s ILE 122 CO -0.01 0.48 -0.14 -0.70 0.00 0.00 0.00 174.94 174.57 2qnj s GLU 123 N 0.91 2.40 0.44 2.79 2.12 -1.26 -0.08 118.70 126.02 2qnj s GLU 123 Ca -0.02 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.62 2qnj s GLU 123 Cb -0.15 -2.34 0.08 0.00 0.26 0.00 0.00 34.13 31.98 2qnj s GLU 123 CO 0.00 -0.30 0.61 0.25 -0.54 0.00 0.00 175.26 175.29 2qnj n THR 124 N 4.69 0.00 -0.11 -1.70 -2.24 -0.66 -5.03 114.28 109.23 2qnj n THR 124 Ca -0.17 -1.32 -0.10 0.00 -2.27 0.00 0.00 64.05 60.19 2qnj n THR 124 Cb 0.49 -0.75 -0.02 0.00 -2.10 0.00 0.00 70.33 67.94 2qnj n THR 124 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2qnj h GLU 125 N 0.00 0.54 0.00 -0.78 4.57 -2.03 -3.33 114.58 113.55 2qnj h GLU 125 Ca -0.20 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 2qnj h GLU 125 Cb 0.89 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2qnj h GLU 125 CO 0.27 0.61 -1.62 1.63 -1.18 0.00 0.00 179.01 178.72 2qnj n LYS 126 N -4.61 0.43 -4.23 1.92 4.76 -1.26 -4.87 118.16 110.29 2qnj n LYS 126 Ca -0.02 -0.12 -0.17 0.00 -2.87 0.00 0.00 58.31 55.13 2qnj n LYS 126 Cb 0.20 -1.52 -0.11 0.00 -1.84 0.00 0.00 35.03 31.77 2qnj n LYS 126 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 2qnj s THR 127 N -3.33 1.22 -0.13 -0.18 2.01 -1.25 -0.35 115.64 113.62 2qnj s THR 127 Ca -0.02 -1.73 0.01 0.00 0.31 0.00 0.00 61.69 60.27 2qnj s THR 127 Cb 0.15 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2qnj s THR 127 CO 0.89 -0.48 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.96 2qnj s LEU 128 N -2.51 1.78 -0.23 4.42 2.96 0.08 -1.66 118.68 123.52 2qnj s LEU 128 Ca 0.09 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.48 2qnj s LEU 128 Cb -0.04 -1.19 0.01 0.00 0.50 0.00 0.00 46.19 45.46 2qnj s LEU 128 CO 0.02 -0.01 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.68 2qnj s TYR 129 N 1.18 2.98 -0.38 5.38 1.51 0.89 -1.40 117.35 127.52 2qnj s TYR 129 Ca -0.01 -1.20 -0.06 0.00 -1.01 0.00 0.00 57.07 54.79 2qnj s TYR 129 Cb -0.14 -2.08 0.07 0.00 -0.11 0.00 0.00 41.96 39.70 2qnj s TYR 129 CO -0.06 -0.63 0.16 -0.51 -1.11 0.00 0.00 175.55 173.40 2qnj s LEU 130 N 1.41 4.74 -0.72 -1.29 1.43 0.01 -0.85 118.68 123.42 2qnj s LEU 130 Ca 0.04 -1.46 -0.26 0.00 -1.03 0.00 0.00 54.13 51.41 2qnj s LEU 130 Cb -0.15 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.23 2qnj s LEU 130 CO -0.04 -0.44 1.22 -0.63 0.23 0.00 0.00 176.35 176.69 2qnj s ILE 131 N 1.34 3.84 0.22 -0.59 1.09 -0.05 -0.72 121.20 126.33 2qnj s ILE 131 Ca 0.01 0.30 0.03 0.00 -1.10 0.00 0.00 60.65 59.89 2qnj s ILE 131 Cb -0.21 -4.87 -0.03 0.00 -1.06 0.00 0.00 42.46 36.29 2qnj s ILE 131 CO 0.01 -1.76 0.37 -0.04 -0.10 0.00 0.00 174.94 173.41 2qnj s MET 132 N 5.40 3.46 0.39 2.79 -1.94 0.76 0.22 119.30 130.38 2qnj s MET 132 Ca 0.33 -0.61 -0.27 0.00 -1.71 0.00 0.00 55.69 53.43 2qnj s MET 132 Cb -0.10 -2.88 -0.10 0.00 2.01 0.00 0.00 34.83 33.77 2qnj s MET 132 CO 0.15 0.42 1.41 -2.00 -0.01 0.00 0.00 175.02 174.98 2qnj s GLU 133 N -3.72 4.01 -0.18 2.03 2.12 -0.34 -0.41 118.70 122.22 2qnj s GLU 133 Ca 0.35 2.39 -0.06 0.00 0.36 0.00 0.00 54.97 58.01 2qnj s GLU 133 Cb -0.10 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.39 2qnj s GLU 133 CO 0.30 -0.54 0.04 -0.47 -0.54 0.00 0.00 175.26 174.04 2qnj s TYR 134 N -1.17 3.19 -0.37 5.30 5.04 -1.26 -4.51 117.35 123.57 2qnj s TYR 134 Ca 0.55 -0.04 -0.01 0.00 -2.44 0.00 0.00 57.07 55.14 2qnj s TYR 134 Cb -0.43 -2.05 0.10 0.00 0.35 0.00 0.00 41.96 39.92 2qnj s TYR 134 CO 0.57 0.09 0.13 0.00 -1.34 0.00 0.00 175.55 175.00 2qnj s ALA 135 N 0.41 3.03 -0.74 3.97 0.00 -1.26 -4.79 121.76 122.38 2qnj s ALA 135 Ca 0.01 -2.40 0.26 0.00 0.00 0.00 0.00 51.96 49.83 2qnj s ALA 135 Cb -0.13 -2.21 0.81 0.00 0.00 0.00 0.00 23.12 21.59 2qnj s ALA 135 CO 0.01 -1.68 1.77 -1.13 0.00 0.00 0.00 175.76 174.73 2qnj n SER 136 N 4.51 0.79 0.20 0.00 3.41 -1.23 -3.84 113.62 117.45 2qnj n SER 136 Ca -0.03 0.56 0.03 0.00 -0.26 0.00 0.00 58.87 59.18 2qnj n SER 136 Cb 0.42 -0.77 0.41 0.00 -0.26 0.00 0.00 64.21 64.01 2qnj n SER 136 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2qnj h GLY 137 N 4.54 0.00 0.00 5.00 0.00 -0.95 -3.46 103.07 108.20 2qnj h GLY 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qnj h GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 2qnj n GLY 138 N -0.62 -1.82 3.81 4.60 0.00 -1.22 -4.78 105.19 105.16 2qnj n GLY 138 Ca -0.02 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 2qnj n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qnj s GLU 139 N 0.00 4.31 0.13 1.61 2.02 -1.26 -1.56 118.70 123.94 2qnj s GLU 139 Ca 0.00 0.91 -0.27 0.00 0.02 0.00 0.00 54.97 55.63 2qnj s GLU 139 Cb 0.00 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 2qnj s GLU 139 CO 0.00 0.47 1.61 0.28 0.02 0.00 0.00 175.26 177.64 2qnj h VAL 140 N 2.97 0.29 -0.59 2.63 2.07 -1.67 -1.63 116.25 120.32 2qnj h VAL 140 Ca -0.48 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.05 2qnj h VAL 140 Cb 1.20 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 2qnj h VAL 140 CO 0.65 0.00 0.39 0.15 0.02 0.00 0.00 177.57 178.78 2qnj h PHE 141 N -0.44 0.72 -0.13 1.57 3.57 -1.84 0.51 116.94 120.90 2qnj h PHE 141 Ca 0.07 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2qnj h PHE 141 Cb 0.56 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 2qnj h PHE 141 CO -0.37 0.45 0.06 -0.44 -2.23 0.00 0.00 178.31 175.78 2qnj h ASP 142 N 0.77 0.17 -0.30 0.41 3.32 -1.86 -1.33 116.42 117.59 2qnj h ASP 142 Ca 0.22 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.22 2qnj h ASP 142 Cb -0.05 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 2qnj h ASP 142 CO -0.05 0.23 -0.11 0.22 -1.72 0.00 0.00 179.24 177.81 2qnj h TYR 143 N 0.09 -0.25 -0.94 4.55 5.03 -0.26 0.08 116.97 125.26 2qnj h TYR 143 Ca 0.04 0.03 0.19 0.00 2.58 0.00 0.00 58.73 61.57 2qnj h TYR 143 Cb 0.11 0.16 -0.08 0.00 1.55 0.00 0.00 36.73 38.46 2qnj h TYR 143 CO -0.03 -0.17 0.60 -0.07 -1.32 0.00 0.00 178.16 177.17 2qnj h LEU 144 N -0.05 0.58 -0.14 2.82 3.38 -0.73 0.34 115.31 121.51 2qnj h LEU 144 Ca 0.15 0.06 -0.23 0.00 0.09 0.00 0.00 57.88 57.95 2qnj h LEU 144 Cb 0.28 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.99 2qnj h LEU 144 CO -0.34 0.23 -0.84 0.58 0.09 0.00 0.00 178.44 178.16 2qnj h VAL 145 N 0.58 1.29 -0.36 1.22 2.07 0.12 -0.65 116.25 120.53 2qnj h VAL 145 Ca 0.51 -2.06 -0.16 0.00 0.82 0.00 0.00 66.70 65.80 2qnj h VAL 145 Cb 1.01 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2qnj h VAL 145 CO -0.25 0.65 -0.42 0.00 0.02 0.00 0.00 177.57 177.57 2qnj h ALA 146 N 0.55 0.53 -0.01 1.67 0.00 0.16 -3.36 119.26 118.80 2qnj h ALA 146 Ca -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2qnj h ALA 146 Cb 1.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2qnj h ALA 146 CO 0.17 0.66 0.00 0.72 0.00 0.00 0.00 179.25 180.80 2qnj n HIS 147 N -4.06 0.02 -1.20 0.00 8.25 0.11 -5.10 115.22 113.24 2qnj n HIS 147 Ca -0.03 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 2qnj n HIS 147 Cb 0.56 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.64 2qnj n HIS 147 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qnj n GLY 148 N -0.23 -2.31 3.56 -1.41 0.00 -0.25 -4.92 105.19 99.62 2qnj n GLY 148 Ca 0.01 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 2qnj n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qnj n ARG 149 N -0.63 -0.73 -3.52 1.61 1.85 -1.26 -4.54 116.66 109.43 2qnj n ARG 149 Ca 0.00 -0.16 -0.35 0.00 -1.00 0.00 0.00 57.85 56.34 2qnj n ARG 149 Cb 0.00 -2.17 -0.05 0.00 -1.05 0.00 0.00 32.46 29.18 2qnj n ARG 149 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2qnj s MET 150 N -4.27 3.81 0.35 2.89 -1.94 -0.67 -4.98 119.30 114.49 2qnj s MET 150 Ca 0.64 0.25 -0.28 0.00 -1.71 0.00 0.00 55.69 54.59 2qnj s MET 150 Cb -0.22 -2.97 -0.12 0.00 2.01 0.00 0.00 34.83 33.53 2qnj s MET 150 CO 0.62 0.53 1.37 1.63 -0.01 0.00 0.00 175.02 179.16 2qnj n LYS 151 N 0.85 2.34 -0.32 2.03 4.01 -1.26 -4.57 118.16 121.24 2qnj n LYS 151 Ca -0.07 0.82 0.26 0.00 -0.51 0.00 0.00 58.31 58.81 2qnj n LYS 151 Cb 0.52 -2.46 0.58 0.00 -0.51 0.00 0.00 35.03 33.16 2qnj n LYS 151 CO 0.00 0.00 0.00 0.93 -1.11 0.00 0.00 177.40 177.22 2qnj h GLU 152 N 2.73 0.26 0.34 1.97 5.08 -1.93 0.35 114.58 123.38 2qnj h GLU 152 Ca -0.48 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2qnj h GLU 152 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2qnj h GLU 152 CO 0.63 0.17 -0.17 0.87 -1.00 0.00 0.00 179.01 179.52 2qnj h LYS 153 N 0.27 -0.45 -0.64 2.33 6.56 -1.99 0.21 116.57 122.86 2qnj h LYS 153 Ca 0.59 0.03 0.07 0.00 -1.06 0.00 0.00 60.65 60.28 2qnj h LYS 153 Cb 1.73 0.10 -0.06 0.00 -0.57 0.00 0.00 32.23 33.43 2qnj h LYS 153 CO -0.22 -0.18 0.33 1.49 -2.06 0.00 0.00 179.45 178.81 2qnj h GLU 154 N -0.67 0.58 -0.09 3.15 4.81 -1.13 -2.23 114.58 119.00 2qnj h GLU 154 Ca -0.05 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2qnj h GLU 154 Cb 0.47 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2qnj h GLU 154 CO 0.08 0.38 0.02 0.00 -0.73 0.00 0.00 179.01 178.76 2qnj h ALA 155 N 1.37 0.09 -0.73 2.92 0.00 -0.25 -2.76 119.26 119.90 2qnj h ALA 155 Ca 0.30 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.34 2qnj h ALA 155 Cb 0.25 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2qnj h ALA 155 CO -0.22 -0.44 0.32 -0.09 0.00 0.00 0.00 179.25 178.83 2qnj h ARG 156 N 0.07 0.50 -0.58 0.00 2.43 -0.10 0.76 114.38 117.46 2qnj h ARG 156 Ca 0.04 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2qnj h ARG 156 Cb 0.03 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2qnj h ARG 156 CO -0.05 0.33 0.38 1.03 -1.51 0.00 0.00 179.97 180.15 2qnj h SER 157 N 0.52 0.65 -0.16 -3.80 0.87 -1.14 -0.70 113.55 109.79 2qnj h SER 157 Ca 0.38 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.79 2qnj h SER 157 Cb 0.50 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2qnj h SER 157 CO -0.34 0.46 -0.45 0.11 -0.53 0.00 0.00 176.83 176.09 2qnj h LYS 158 N 0.77 0.59 -0.56 2.24 1.79 -1.26 -3.04 116.57 117.10 2qnj h LYS 158 Ca 0.22 -0.42 -0.05 0.00 -2.18 0.00 0.00 60.65 58.22 2qnj h LYS 158 Cb -0.07 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.62 2qnj h LYS 158 CO -0.06 1.04 0.14 0.35 -1.08 0.00 0.00 179.45 179.84 2qnj h PHE 159 N 0.24 0.88 -0.39 -1.35 3.57 -0.73 0.20 116.94 119.35 2qnj h PHE 159 Ca -0.01 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.48 2qnj h PHE 159 Cb 1.07 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 2qnj h PHE 159 CO 0.10 0.73 -0.03 0.00 -2.23 0.00 0.00 178.31 176.88 2qnj h ARG 160 N 0.82 0.07 -0.71 1.11 3.08 -1.17 0.29 114.38 117.86 2qnj h ARG 160 Ca 0.18 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2qnj h ARG 160 Cb 0.30 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2qnj h ARG 160 CO -0.00 0.04 0.23 1.96 -1.07 0.00 0.00 179.97 181.14 2qnj h GLN 161 N 0.07 1.10 -0.46 0.04 4.20 -1.20 0.09 115.11 118.94 2qnj h GLN 161 Ca 0.19 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.57 2qnj h GLN 161 Cb 0.28 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2qnj h GLN 161 CO -0.35 0.93 -0.10 0.82 -0.67 0.00 0.00 178.83 179.47 2qnj h ILE 162 N 1.04 1.27 -0.24 2.54 2.04 -0.35 -0.30 117.51 123.51 2qnj h ILE 162 Ca 0.23 -1.21 -0.14 0.00 1.00 0.00 0.00 64.86 64.73 2qnj h ILE 162 Cb 0.29 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2qnj h ILE 162 CO -0.01 0.42 -0.44 0.58 0.00 0.00 0.00 178.15 178.70 2qnj h VAL 163 N 0.73 1.30 0.36 1.67 2.07 -0.25 0.10 116.25 122.23 2qnj h VAL 163 Ca 0.12 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.00 2qnj h VAL 163 Cb 0.64 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2qnj h VAL 163 CO 0.04 0.51 -0.17 -1.28 0.02 0.00 0.00 177.57 176.69 2qnj h SER 164 N 0.48 -0.41 -0.21 0.57 0.87 -0.65 0.24 113.55 114.44 2qnj h SER 164 Ca 0.03 -0.07 0.06 0.00 -1.23 0.00 0.00 61.79 60.59 2qnj h SER 164 Cb 0.96 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.96 2qnj h SER 164 CO 0.09 -0.19 -0.23 0.00 -0.53 0.00 0.00 176.83 175.96 2qnj h ALA 165 N -0.03 -0.14 -0.11 6.23 0.00 -1.00 0.67 119.26 124.87 2qnj h ALA 165 Ca -0.05 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2qnj h ALA 165 Cb 0.45 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2qnj h ALA 165 CO 0.08 -0.67 -0.51 0.28 0.00 0.00 0.00 179.25 178.43 2qnj h VAL 166 N -0.25 1.34 -0.43 0.00 2.07 -0.97 -2.04 116.25 115.97 2qnj h VAL 166 Ca 0.13 -1.76 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 2qnj h VAL 166 Cb 0.45 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 2qnj h VAL 166 CO -0.36 0.53 0.15 -0.61 0.02 0.00 0.00 177.57 177.30 2qnj h GLN 167 N 0.24 0.65 -0.81 1.57 -0.00 -0.63 -1.61 115.11 114.53 2qnj h GLN 167 Ca 0.01 -0.13 0.08 0.00 -0.00 0.00 0.00 58.65 58.61 2qnj h GLN 167 Cb 0.99 -0.10 -0.07 0.00 0.00 0.00 0.00 27.48 28.30 2qnj h GLN 167 CO 0.08 0.62 0.47 -0.92 0.00 0.00 0.00 178.83 179.08 2qnj h TYR 168 N 0.55 0.85 -0.57 3.99 3.20 -0.50 -1.24 116.97 123.25 2qnj h TYR 168 Ca 0.14 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2qnj h TYR 168 Cb 0.23 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 2qnj h TYR 168 CO 0.01 0.37 0.25 0.00 -1.64 0.00 0.00 178.16 177.15 2qnj h HIS 170 N 0.81 1.09 0.00 0.00 3.86 -0.26 -0.14 115.15 120.51 2qnj h HIS 170 Ca 0.20 -0.32 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2qnj h HIS 170 Cb 0.13 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 2qnj h HIS 170 CO 0.01 1.13 -0.03 1.96 0.86 0.00 0.00 177.93 181.86 2qnj h GLN 171 N 0.74 0.00 -0.42 2.45 4.20 -1.10 0.39 115.11 121.37 2qnj h GLN 171 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2qnj h GLN 171 Cb 0.93 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.71 2qnj h GLN 171 CO 0.09 0.03 0.00 1.63 -0.67 0.00 0.00 178.83 179.91 2qnj n LYS 172 N -4.22 1.99 -2.09 1.46 5.02 -1.08 -4.92 118.16 114.32 2qnj n LYS 172 Ca -0.03 -1.46 -0.19 0.00 -2.02 0.00 0.00 58.31 54.61 2qnj n LYS 172 Cb 0.11 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.75 2qnj n LYS 172 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2qnj n ARG 173 N 0.66 -1.48 -3.48 1.97 -4.01 0.14 -4.98 116.66 105.48 2qnj n ARG 173 Ca 0.14 1.02 -0.43 0.00 -1.04 0.00 0.00 57.85 57.54 2qnj n ARG 173 Cb 0.36 -5.51 -0.10 0.00 -3.04 0.00 0.00 32.46 24.17 2qnj n ARG 173 CO 0.00 0.00 0.00 0.42 -3.04 0.00 0.00 177.63 175.01 2qnj s ILE 174 N -2.88 5.23 -0.02 8.89 1.01 -0.08 -5.02 121.20 128.33 2qnj s ILE 174 Ca 0.00 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2qnj s ILE 174 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2qnj s ILE 174 CO 0.00 -0.27 -0.10 -0.69 0.00 0.00 0.00 174.94 173.88 2qnj s VAL 175 N 1.68 3.43 -0.25 2.92 1.01 -1.26 -3.80 120.40 124.12 2qnj s VAL 175 Ca 0.05 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2qnj s VAL 175 Cb -0.19 -2.43 -0.15 0.00 0.00 0.00 0.00 36.38 33.61 2qnj s VAL 175 CO 0.10 0.49 -0.19 1.57 0.00 0.00 0.00 175.10 177.07 2qnj n HIS 176 N 1.91 0.24 -1.86 5.22 -0.00 -1.26 -4.73 115.22 114.74 2qnj n HIS 176 Ca -0.17 0.08 -0.20 0.00 0.46 0.00 0.00 57.72 57.90 2qnj n HIS 176 Cb 0.52 -1.03 -0.06 0.00 -0.12 0.00 0.00 29.99 29.31 2qnj n HIS 176 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 2qnj n ARG 177 N -3.96 -1.47 -0.21 1.57 1.85 -1.26 -4.74 116.66 108.44 2qnj n ARG 177 Ca -0.48 1.13 0.00 0.00 -1.00 0.00 0.00 57.85 57.50 2qnj n ARG 177 Cb 0.90 -5.57 0.00 0.00 -1.05 0.00 0.00 32.46 26.74 2qnj n ARG 177 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2qnj n ASP 178 N -1.45 0.00 -3.04 2.89 2.03 -1.26 -5.02 116.55 110.70 2qnj n ASP 178 Ca -0.21 -1.09 -0.38 0.00 0.52 0.00 0.00 54.79 53.62 2qnj n ASP 178 Cb 0.67 -0.02 -0.05 0.00 -0.72 0.00 0.00 41.12 41.00 2qnj n ASP 178 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2qnj n LEU 179 N 0.00 -0.20 -4.30 -2.67 7.99 -1.26 -4.82 117.00 111.75 2qnj n LEU 179 Ca 0.00 0.78 -0.16 0.00 -0.01 0.00 0.00 56.01 56.62 2qnj n LEU 179 Cb 0.52 -0.63 -0.10 0.00 -0.11 0.00 0.00 43.42 43.10 2qnj n LEU 179 CO 0.00 -1.46 -0.24 -0.54 -1.51 0.00 0.00 177.39 173.64 2qnj s LYS 180 N -0.15 1.41 0.39 3.23 1.02 -1.26 -4.66 119.74 119.72 2qnj s LYS 180 Ca 0.58 -1.77 0.15 0.00 0.02 0.00 0.00 55.97 54.94 2qnj s LYS 180 Cb -0.81 -0.13 1.00 0.00 -0.52 0.00 0.00 37.83 37.37 2qnj s LYS 180 CO 0.39 -0.35 1.83 0.00 -0.92 0.00 0.00 175.35 176.30 2qnj h ALA 181 N 2.39 2.08 0.00 5.17 0.00 -1.95 -1.40 119.26 125.55 2qnj h ALA 181 Ca -0.37 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2qnj h ALA 181 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2qnj h ALA 181 CO 0.57 -0.40 0.00 -0.85 0.00 0.00 0.00 179.25 178.57 2qnj n GLU 182 N -4.58 0.02 0.12 0.00 0.28 -1.26 -1.94 120.64 113.28 2qnj n GLU 182 Ca 0.21 0.30 0.09 0.00 -0.16 0.00 0.00 57.16 57.60 2qnj n GLU 182 Cb 0.69 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 32.08 2qnj n GLU 182 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2qnj h ASN 183 N 0.00 0.00 -3.60 -1.84 4.21 -1.48 -3.44 115.58 109.43 2qnj h ASN 183 Ca 0.00 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 56.84 2qnj h ASN 183 Cb 0.17 0.00 -0.25 0.00 -1.12 0.00 0.00 38.32 37.12 2qnj h ASN 183 CO 0.00 0.13 -0.63 -0.76 -1.29 0.00 0.00 177.43 174.89 2qnj s LEU 184 N -5.68 3.68 0.35 1.61 1.43 -0.82 0.22 118.68 119.48 2qnj s LEU 184 Ca 0.01 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 2qnj s LEU 184 Cb 0.08 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.35 2qnj s LEU 184 CO 0.77 -0.14 -0.04 -0.76 0.23 0.00 0.00 176.35 176.41 2qnj s LEU 185 N 1.53 2.84 -0.01 1.79 1.43 0.15 -2.09 118.68 124.33 2qnj s LEU 185 Ca 0.04 -1.14 0.06 0.00 -1.03 0.00 0.00 54.13 52.06 2qnj s LEU 185 Cb -0.16 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2qnj s LEU 185 CO 0.02 -0.25 -0.20 -0.76 0.23 0.00 0.00 176.35 175.40 2qnj s LEU 186 N -3.66 2.47 0.60 1.79 1.43 -0.60 0.42 118.68 121.12 2qnj s LEU 186 Ca 0.34 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2qnj s LEU 186 Cb 0.02 -1.47 0.04 0.00 0.03 0.00 0.00 46.19 44.82 2qnj s LEU 186 CO 0.18 0.31 0.85 1.51 0.23 0.00 0.00 176.35 179.43 2qnj s ASP 187 N -0.95 5.13 0.58 2.29 1.47 0.31 -0.43 116.67 125.07 2qnj s ASP 187 Ca 0.12 0.15 0.40 0.00 1.18 0.00 0.00 52.55 54.40 2qnj s ASP 187 Cb -0.10 -0.96 1.42 0.00 -0.34 0.00 0.00 42.92 42.94 2qnj s ASP 187 CO 0.02 -1.29 1.50 0.00 0.68 0.00 0.00 175.17 176.08 2qnj h ALA 188 N -0.15 3.45 -0.48 2.11 0.00 -1.89 0.73 119.26 123.02 2qnj h ALA 188 Ca -0.43 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2qnj h ALA 188 Cb 1.30 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.21 2qnj h ALA 188 CO 0.55 -2.07 0.00 -0.25 0.00 0.00 0.00 179.25 177.48 2qnj n ASP 189 N -3.69 4.70 -1.22 0.00 8.00 -1.26 -4.92 116.55 118.15 2qnj n ASP 189 Ca 0.34 -2.69 -0.16 0.00 0.71 0.00 0.00 54.79 53.00 2qnj n ASP 189 Cb 1.75 -0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 42.15 2qnj n ASP 189 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2qnj n MET 190 N 0.58 -1.49 -3.01 -1.24 2.81 0.25 -4.97 117.12 110.05 2qnj n MET 190 Ca 0.22 1.06 -0.33 0.00 -1.81 0.00 0.00 57.70 56.84 2qnj n MET 190 Cb 0.97 -5.42 -0.06 0.00 -0.71 0.00 0.00 33.22 28.00 2qnj n MET 190 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2qnj s ASN 191 N -2.63 6.87 0.04 7.83 0.01 -1.26 -4.80 114.94 121.00 2qnj s ASN 191 Ca 0.00 1.45 -0.30 0.00 -0.71 0.00 0.00 52.86 53.30 2qnj s ASN 191 Cb 0.00 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 2qnj s ASN 191 CO 0.00 -0.23 1.12 -0.63 -1.51 0.00 0.00 177.10 175.85 2qnj s ILE 192 N -2.00 4.34 -0.14 0.60 -1.09 -1.26 -0.53 121.20 121.12 2qnj s ILE 192 Ca 0.56 1.68 -0.00 0.00 -2.23 0.00 0.00 60.65 60.66 2qnj s ILE 192 Cb -0.11 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.72 2qnj s ILE 192 CO 0.16 0.13 -0.10 -0.54 -1.23 0.00 0.00 174.94 173.36 2qnj s LYS 193 N 1.08 1.80 -0.04 2.79 -0.14 0.17 -4.32 119.74 121.08 2qnj s LYS 193 Ca 0.56 -0.43 -0.23 0.00 -1.36 0.00 0.00 55.97 54.52 2qnj s LYS 193 Cb -0.26 -1.87 -0.04 0.00 -1.68 0.00 0.00 37.83 33.98 2qnj s LYS 193 CO 0.29 -0.29 0.67 0.42 -0.76 0.00 0.00 175.35 175.68 2qnj s ILE 194 N 1.61 4.97 -0.04 2.17 1.01 0.71 0.30 121.20 131.92 2qnj s ILE 194 Ca 0.04 1.40 0.05 0.00 0.00 0.00 0.00 60.65 62.14 2qnj s ILE 194 Cb -0.13 -4.01 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 2qnj s ILE 194 CO -0.09 0.32 -0.20 0.00 0.00 0.00 0.00 174.94 174.96 2qnj s ALA 195 N 0.41 1.75 -1.50 9.38 0.00 0.13 -1.21 121.76 130.72 2qnj s ALA 195 Ca 0.35 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.48 2qnj s ALA 195 Cb -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2qnj s ALA 195 CO 0.18 0.35 0.00 -0.25 0.00 0.00 0.00 175.76 176.04 2qnj n ASP 196 N 2.96 -4.71 -4.65 0.00 8.00 -1.26 -4.52 116.55 112.37 2qnj n ASP 196 Ca -0.17 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.17 2qnj n ASP 196 Cb 0.53 -3.59 -0.02 0.00 -0.02 0.00 0.00 41.12 38.01 2qnj n ASP 196 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2qnj s PHE 197 N -2.59 2.51 0.00 1.24 5.36 -1.26 -1.52 117.98 121.72 2qnj s PHE 197 Ca 0.00 0.74 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 2qnj s PHE 197 Cb 0.00 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2qnj s PHE 197 CO 0.00 -2.32 0.00 0.41 -1.46 0.00 0.00 175.22 171.85 2qnj n GLY 198 N 4.06 0.60 3.39 13.12 0.00 -1.26 -4.99 105.19 120.12 2qnj n GLY 198 Ca 0.16 -0.20 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 2qnj n GLY 198 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qnj s PHE 199 N -2.00 3.10 0.89 1.61 5.36 -0.57 -4.95 117.98 121.41 2qnj s PHE 199 Ca 0.00 -0.69 -0.11 0.00 -0.96 0.00 0.00 56.93 55.17 2qnj s PHE 199 Cb 0.00 -2.24 0.12 0.00 -0.34 0.00 0.00 43.02 40.56 2qnj s PHE 199 CO 0.00 -0.47 1.10 -1.54 -1.46 0.00 0.00 175.22 172.85 2qnj s SER 200 N 1.56 3.43 0.30 6.13 1.04 -1.26 -4.93 113.70 119.96 2qnj s SER 200 Ca 0.05 1.79 0.10 0.00 0.48 0.00 0.00 55.95 58.37 2qnj s SER 200 Cb -0.16 -2.41 0.45 0.00 0.10 0.00 0.00 66.02 64.00 2qnj s SER 200 CO 0.03 -2.71 1.67 -1.13 0.98 0.00 0.00 173.24 172.07 2qnj h ASN 201 N -1.60 0.03 -1.28 7.02 -1.24 -1.98 -3.08 115.58 113.44 2qnj h ASN 201 Ca -0.47 -0.01 0.38 0.00 0.71 0.00 0.00 56.30 56.90 2qnj h ASN 201 Cb 1.27 -0.01 -0.09 0.00 0.73 0.00 0.00 38.32 40.22 2qnj h ASN 201 CO 0.50 0.57 0.87 -0.33 -1.29 0.00 0.00 177.43 177.75 2qnj h GLU 202 N 0.02 0.13 -0.75 6.67 3.07 -2.03 -2.34 114.58 119.35 2qnj h GLU 202 Ca -0.00 -0.01 -0.45 0.00 -0.50 0.00 0.00 59.36 58.40 2qnj h GLU 202 Cb 0.97 -0.03 -0.25 0.00 -0.84 0.00 0.00 28.75 28.60 2qnj h GLU 202 CO 0.07 0.09 0.28 1.19 -1.40 0.00 0.00 179.01 179.23 2qnj n PHE 203 N -4.41 2.40 0.00 4.33 3.72 -1.17 -4.40 117.46 117.94 2qnj n PHE 203 Ca 0.31 -2.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.61 2qnj n PHE 203 Cb 1.29 -0.84 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 2qnj n PHE 203 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2qnj n THR 204 N -1.03 0.00 0.17 4.37 -2.24 -0.88 -4.88 114.28 109.79 2qnj n THR 204 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 2qnj n THR 204 Cb 1.13 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.56 2qnj n THR 204 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qnj n LYS 208 N -2.40 0.00 -0.97 -0.78 4.76 -1.26 -4.65 118.16 112.85 2qnj n LYS 208 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2qnj n LYS 208 Cb 0.00 0.00 0.32 0.00 -1.84 0.00 0.00 35.03 33.51 2qnj n LYS 208 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2qnj n LEU 209 N -3.42 5.92 -0.95 -0.35 -0.00 -1.26 -4.64 117.00 112.30 2qnj n LEU 209 Ca 0.00 -3.06 0.10 0.00 -0.00 0.00 0.00 56.01 53.05 2qnj n LEU 209 Cb 0.00 -0.73 0.16 0.00 -0.00 0.00 0.00 43.42 42.85 2qnj n LEU 209 CO 0.00 0.75 0.63 0.47 -0.00 0.00 0.00 177.39 179.25 2qnj n ASP 210 N 0.03 3.08 0.12 1.45 8.00 -1.26 -4.69 116.55 123.27 2qnj n ASP 210 Ca 0.37 -1.91 0.10 0.00 0.71 0.00 0.00 54.79 54.07 2qnj n ASP 210 Cb 1.32 -0.16 0.60 0.00 -0.02 0.00 0.00 41.12 42.87 2qnj n ASP 210 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2qnj h THR 211 N 3.91 0.95 -0.71 -3.53 1.35 -2.01 -2.03 112.91 110.84 2qnj h THR 211 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 2qnj h THR 211 Cb 0.88 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2qnj h THR 211 CO 0.00 0.02 0.00 0.49 -0.25 0.00 0.00 175.52 175.78 2qnj n PHE 212 N -4.49 0.97 0.15 4.73 3.01 -1.26 -4.59 117.46 115.98 2qnj n PHE 212 Ca 0.02 -0.50 -0.13 0.00 1.01 0.00 0.00 57.45 57.84 2qnj n PHE 212 Cb 0.23 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.61 2qnj n PHE 212 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qnj h GLY 214 N -0.70 0.00 0.55 0.00 0.00 -1.81 -3.41 103.07 97.70 2qnj h GLY 214 Ca -0.04 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 2qnj h GLY 214 CO 0.07 0.00 -0.30 1.76 0.00 0.00 0.00 176.54 178.07 2qnj h SER 215 N 0.00 0.30 -0.66 0.19 0.02 -1.83 -3.37 113.55 108.20 2qnj h SER 215 Ca -0.00 -0.73 0.10 0.00 -0.84 0.00 0.00 61.79 60.32 2qnj h SER 215 Cb 1.20 -0.09 -0.08 0.00 0.14 0.00 0.00 62.40 63.58 2qnj h SER 215 CO 0.06 0.98 0.27 -0.65 -1.14 0.00 0.00 176.83 176.36 2qnj h PRO 216 N -0.36 0.44 0.00 3.45 0.11 -1.80 0.24 132.00 134.09 2qnj h PRO 216 Ca -0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2qnj h PRO 216 Cb 1.01 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2qnj h PRO 216 CO 0.06 0.29 0.00 -1.35 -0.21 0.00 0.00 178.00 176.79 2qnj h PRO 217 N 0.46 0.00 -0.01 1.05 0.11 -1.88 -1.40 132.00 130.33 2qnj h PRO 217 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 2qnj h PRO 217 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2qnj h PRO 217 CO -0.32 0.00 -0.75 0.66 -0.21 0.00 0.00 178.00 177.38 2qnj n TYR 218 N -2.97 0.00 -2.42 0.65 4.02 0.75 -4.83 117.16 112.35 2qnj n TYR 218 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.51 2qnj n TYR 218 Cb 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.40 2qnj n TYR 218 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2qnj s ALA 219 N -2.67 2.96 0.25 -0.72 0.00 -0.53 -4.13 121.76 116.94 2qnj s ALA 219 Ca 0.11 0.77 -0.13 0.00 0.00 0.00 0.00 51.96 52.71 2qnj s ALA 219 Cb 0.15 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.88 2qnj s ALA 219 CO 0.71 -0.43 0.63 0.00 0.00 0.00 0.00 175.76 176.66 2qnj s ALA 220 N -1.70 3.47 0.60 0.00 0.00 -1.26 -4.96 121.76 117.91 2qnj s ALA 220 Ca 0.63 -0.12 0.31 0.00 0.00 0.00 0.00 51.96 52.79 2qnj s ALA 220 Cb -0.23 -2.59 1.82 0.00 0.00 0.00 0.00 23.12 22.12 2qnj s ALA 220 CO 0.28 0.43 2.18 -1.00 0.00 0.00 0.00 175.76 177.65 2qnj h PRO 221 N 2.60 0.00 0.00 0.00 0.13 -1.88 -0.65 132.00 132.20 2qnj h PRO 221 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qnj h PRO 221 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qnj h PRO 221 CO 0.67 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.49 2qnj h GLU 222 N 0.00 0.00 -0.76 0.86 9.09 -1.93 -0.45 114.58 121.39 2qnj h GLU 222 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 2qnj h GLU 222 Cb 0.27 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 27.33 2qnj h GLU 222 CO -0.00 0.00 0.48 1.25 0.05 0.00 0.00 179.01 180.79 2qnj h LEU 223 N 0.00 0.89 0.00 3.06 5.85 -1.36 -2.20 115.31 121.55 2qnj h LEU 223 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2qnj h LEU 223 Cb 0.45 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2qnj h LEU 223 CO 0.00 0.66 -0.18 0.49 -0.34 0.00 0.00 178.44 179.07 2qnj n PHE 224 N -4.53 0.13 0.03 1.25 3.72 -0.22 -3.35 117.46 114.48 2qnj n PHE 224 Ca 0.07 0.04 0.02 0.00 -0.05 0.00 0.00 57.45 57.53 2qnj n PHE 224 Cb 0.03 -0.48 -0.08 0.00 -0.94 0.00 0.00 39.48 38.01 2qnj n PHE 224 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qnj n GLN 225 N -1.61 0.63 -0.50 -1.08 6.02 -0.95 -5.00 117.38 114.89 2qnj n GLN 225 Ca 0.06 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2qnj n GLN 225 Cb 0.35 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.85 2qnj n GLN 225 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qnj n GLY 226 N 1.38 0.75 3.77 1.08 0.00 -0.84 -5.08 105.19 106.24 2qnj n GLY 226 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2qnj n GLY 226 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qnj s LYS 227 N -0.50 1.29 0.46 1.61 -0.14 -1.10 -4.98 119.74 116.37 2qnj s LYS 227 Ca 0.00 0.45 -0.24 0.00 -1.36 0.00 0.00 55.97 54.82 2qnj s LYS 227 Cb 0.00 -1.84 -0.07 0.00 -1.68 0.00 0.00 37.83 34.23 2qnj s LYS 227 CO 0.00 -2.13 1.35 -1.59 -0.76 0.00 0.00 175.35 172.22 2qnj s LYS 228 N -5.18 3.65 -0.38 1.68 -2.85 -1.26 -4.61 119.74 110.79 2qnj s LYS 228 Ca 0.63 2.24 0.08 0.00 -1.00 0.00 0.00 55.97 57.92 2qnj s LYS 228 Cb -0.15 -2.57 0.44 0.00 -2.06 0.00 0.00 37.83 33.48 2qnj s LYS 228 CO 0.54 -0.78 1.11 0.98 0.10 0.00 0.00 175.35 177.30 2qnj n TYR 229 N -0.32 2.87 -4.55 1.78 4.19 -1.26 -4.85 117.16 115.03 2qnj n TYR 229 Ca 0.06 -2.84 -0.24 0.00 3.31 0.00 0.00 57.90 58.20 2qnj n TYR 229 Cb 0.44 -0.18 -0.05 0.00 0.49 0.00 0.00 39.34 40.03 2qnj n TYR 229 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 2qnj n ASP 230 N -0.48 2.88 0.00 2.98 5.68 -1.26 -5.06 116.55 121.29 2qnj n ASP 230 Ca 0.35 -2.66 0.00 0.00 -0.50 0.00 0.00 54.79 51.97 2qnj n ASP 230 Cb 0.75 0.31 0.00 0.00 -1.14 0.00 0.00 41.12 41.05 2qnj n ASP 230 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qnj n GLY 231 N 0.42 1.16 0.30 6.12 0.00 -1.26 -4.65 105.19 107.29 2qnj n GLY 231 Ca -0.15 -1.67 0.18 0.00 0.00 0.00 0.00 46.02 44.38 2qnj n GLY 231 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qnj h PRO 232 N 0.00 0.00 -1.08 1.61 0.13 -2.00 -2.45 132.00 128.22 2qnj h PRO 232 Ca 0.00 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.43 2qnj h PRO 232 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 2qnj h PRO 232 CO 0.00 0.03 0.68 0.93 -0.23 0.00 0.00 178.00 179.41 2qnj h GLU 233 N 0.00 0.35 -0.00 0.86 3.07 -1.91 -0.64 114.58 116.31 2qnj h GLU 233 Ca -0.00 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2qnj h GLU 233 Cb 0.16 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2qnj h GLU 233 CO 0.00 0.23 -0.00 0.28 -1.40 0.00 0.00 179.01 178.12 2qnj h VAL 234 N 0.36 1.36 -0.40 3.13 2.07 -1.70 -2.20 116.25 118.86 2qnj h VAL 234 Ca 0.65 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 67.14 2qnj h VAL 234 Cb 1.66 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 33.48 2qnj h VAL 234 CO -0.37 0.28 0.21 0.44 0.02 0.00 0.00 177.57 178.15 2qnj h ASP 235 N -0.44 0.32 -0.66 0.57 3.32 -1.33 -1.62 116.42 116.58 2qnj h ASP 235 Ca 0.00 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.20 2qnj h ASP 235 Cb 0.45 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 39.84 2qnj h ASP 235 CO 0.00 0.23 -0.06 0.58 -1.72 0.00 0.00 179.24 178.28 2qnj h VAL 236 N 0.43 0.40 -0.23 -1.35 2.07 -1.07 0.80 116.25 117.31 2qnj h VAL 236 Ca 0.17 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.73 2qnj h VAL 236 Cb 0.06 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.09 2qnj h VAL 236 CO -0.11 0.01 -0.25 -0.25 0.02 0.00 0.00 177.57 176.99 2qnj h TRP 237 N 0.07 -0.68 -0.73 1.57 2.91 -0.68 -1.08 115.95 117.33 2qnj h TRP 237 Ca 0.34 0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.45 2qnj h TRP 237 Cb 0.55 0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.49 2qnj h TRP 237 CO -0.44 -0.33 0.48 0.77 -1.03 0.00 0.00 178.44 177.89 2qnj h SER 238 N -0.27 0.70 -0.36 2.65 0.02 -0.26 -1.85 113.55 114.19 2qnj h SER 238 Ca 0.13 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 2qnj h SER 238 Cb 0.47 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2qnj h SER 238 CO -0.39 0.46 -0.13 -0.07 -1.14 0.00 0.00 176.83 175.56 2qnj h LEU 239 N 0.80 0.80 -0.58 5.07 4.07 0.31 -0.86 115.31 124.92 2qnj h LEU 239 Ca 0.31 -0.25 0.02 0.00 0.08 0.00 0.00 57.88 58.03 2qnj h LEU 239 Cb 0.20 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 2qnj h LEU 239 CO -0.10 0.95 0.36 1.23 -1.08 0.00 0.00 178.44 179.80 2qnj h GLY 240 N 0.97 0.82 0.69 0.83 0.00 -0.60 0.67 103.07 106.45 2qnj h GLY 240 Ca 0.12 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.23 2qnj h GLY 240 CO 0.04 0.25 0.50 -2.08 0.00 0.00 0.00 176.54 175.26 2qnj h VAL 241 N 0.73 1.02 -0.41 4.60 2.07 -1.07 -1.31 116.25 121.87 2qnj h VAL 241 Ca 0.23 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 2qnj h VAL 241 Cb -0.02 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 2qnj h VAL 241 CO -0.08 0.17 0.10 0.40 0.02 0.00 0.00 177.57 178.18 2qnj h ILE 242 N 0.91 1.23 -0.25 4.57 2.04 0.11 -2.08 117.51 124.04 2qnj h ILE 242 Ca 0.37 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.50 2qnj h ILE 242 Cb 0.20 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.16 2qnj h ILE 242 CO -0.18 0.27 -0.40 0.25 0.00 0.00 0.00 178.15 178.09 2qnj h LEU 243 N 0.53 -1.30 -0.96 1.44 6.46 -0.54 -1.79 115.31 119.14 2qnj h LEU 243 Ca 0.13 0.19 0.19 0.00 -0.12 0.00 0.00 57.88 58.27 2qnj h LEU 243 Cb 0.31 0.55 -0.11 0.00 -0.73 0.00 0.00 40.66 40.68 2qnj h LEU 243 CO 0.00 -0.39 0.55 0.22 -0.62 0.00 0.00 178.44 178.20 2qnj h TYR 244 N -0.41 0.96 -0.03 1.25 5.03 -0.73 -1.45 116.97 121.60 2qnj h TYR 244 Ca 0.11 0.04 -0.16 0.00 2.58 0.00 0.00 58.73 61.29 2qnj h TYR 244 Cb 0.60 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 2qnj h TYR 244 CO -0.53 0.17 -0.72 1.79 -1.32 0.00 0.00 178.16 177.55 2qnj h THR 245 N 0.67 1.45 -0.63 1.81 1.35 -0.72 -0.26 112.91 116.59 2qnj h THR 245 Ca 0.57 -2.31 -0.06 0.00 -0.55 0.00 0.00 66.41 64.05 2qnj h THR 245 Cb 0.92 2.24 -0.03 0.00 -1.73 0.00 0.00 68.15 69.55 2qnj h THR 245 CO -0.41 0.67 0.17 -0.07 -0.25 0.00 0.00 175.52 175.63 2qnj h LEU 246 N 0.11 0.95 0.00 3.87 3.38 -0.47 0.21 115.31 123.35 2qnj h LEU 246 Ca -0.02 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2qnj h LEU 246 Cb 1.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qnj h LEU 246 CO 0.11 0.93 -1.65 1.33 0.09 0.00 0.00 178.44 179.24 2qnj n VAL 247 N -4.33 0.23 0.12 1.22 0.24 -0.94 -1.68 118.33 113.19 2qnj n VAL 247 Ca 0.04 -0.52 0.07 0.00 -2.04 0.00 0.00 64.34 61.89 2qnj n VAL 247 Cb 0.24 -0.12 -0.11 0.00 -1.47 0.00 0.00 33.84 32.38 2qnj n VAL 247 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2qnj n SER 248 N -2.41 1.48 -0.30 -1.34 3.41 -0.12 -4.65 113.62 109.69 2qnj n SER 248 Ca -0.03 -0.16 -0.04 0.00 -0.26 0.00 0.00 58.87 58.38 2qnj n SER 248 Cb 0.57 1.54 -0.02 0.00 -0.26 0.00 0.00 64.21 66.04 2qnj n SER 248 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qnj n GLY 249 N 1.61 0.61 3.17 5.00 0.00 0.72 -4.60 105.19 111.70 2qnj n GLY 249 Ca -0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 2qnj n GLY 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qnj s SER 250 N -2.35 0.41 0.01 1.61 0.01 -1.25 -4.83 113.70 107.32 2qnj s SER 250 Ca 0.00 -1.23 -0.30 0.00 1.31 0.00 0.00 55.95 55.73 2qnj s SER 250 Cb 0.00 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.48 2qnj s SER 250 CO 0.00 -0.73 1.03 -0.76 0.41 0.00 0.00 173.24 173.19 2qnj s LEU 251 N -3.08 4.36 0.43 2.44 1.43 -1.26 -3.43 118.68 119.57 2qnj s LEU 251 Ca 0.26 1.72 0.12 0.00 -1.03 0.00 0.00 54.13 55.21 2qnj s LEU 251 Cb 0.07 -3.57 0.93 0.00 0.03 0.00 0.00 46.19 43.65 2qnj s LEU 251 CO 0.04 -0.31 1.98 1.55 0.23 0.00 0.00 176.35 179.83 2qnj h PRO 252 N 6.82 0.13 -4.27 1.29 0.13 -1.91 -3.38 132.00 130.81 2qnj h PRO 252 Ca -0.41 -0.02 -0.58 0.00 -0.87 0.00 0.00 66.00 64.12 2qnj h PRO 252 Cb 1.21 -0.02 -0.38 0.00 0.13 0.00 0.00 31.00 31.95 2qnj h PRO 252 CO 0.77 0.25 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.94 2qnj s PHE 253 N -4.77 2.01 0.40 1.56 0.08 -1.26 -4.73 117.98 111.27 2qnj s PHE 253 Ca -0.05 -1.37 0.05 0.00 0.12 0.00 0.00 56.93 55.68 2qnj s PHE 253 Cb 0.16 -1.44 -0.06 0.00 -0.57 0.00 0.00 43.02 41.11 2qnj s PHE 253 CO 0.71 -0.69 0.04 0.34 -0.10 0.00 0.00 175.22 175.52 2qnj s ASP 254 N 1.53 3.32 -0.25 1.36 -1.08 -1.26 -4.81 116.67 115.47 2qnj s ASP 254 Ca -0.02 -1.46 -0.29 0.00 -0.52 0.00 0.00 52.55 50.27 2qnj s ASP 254 Cb -0.17 -0.02 0.17 0.00 -1.46 0.00 0.00 42.92 41.44 2qnj s ASP 254 CO -0.07 -0.63 1.26 -0.83 0.52 0.00 0.00 175.17 175.41 2qnj s GLY 255 N -3.66 0.02 0.30 2.66 0.00 -1.26 -4.09 107.32 101.29 2qnj s GLY 255 Ca 0.29 2.72 0.14 0.00 0.00 0.00 0.00 44.72 47.87 2qnj s GLY 255 CO 0.14 1.26 1.62 1.46 0.00 0.00 0.00 173.10 177.58 2qnj h GLN 256 N 2.48 0.00 -4.59 2.90 1.08 -2.01 -3.46 115.11 111.52 2qnj h GLN 256 Ca -0.15 0.00 -0.39 0.00 -1.45 0.00 0.00 58.65 56.67 2qnj h GLN 256 Cb 1.18 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 28.50 2qnj h GLN 256 CO 0.23 0.54 -0.38 0.54 -0.95 0.00 0.00 178.83 178.81 2qnj s ASN 257 N -6.62 1.32 0.16 1.46 2.20 -1.26 -5.06 114.94 107.13 2qnj s ASN 257 Ca -0.00 -1.64 -0.11 0.00 -0.94 0.00 0.00 52.86 50.17 2qnj s ASN 257 Cb 0.11 0.59 0.03 0.00 -2.00 0.00 0.00 41.25 39.99 2qnj s ASN 257 CO 0.73 -1.15 1.61 0.25 -2.94 0.00 0.00 177.10 175.60 2qnj h LEU 258 N 2.15 0.95 -0.53 3.54 5.85 -1.99 -2.42 115.31 122.86 2qnj h LEU 258 Ca -0.27 -0.32 0.11 0.00 0.84 0.00 0.00 57.88 58.24 2qnj h LEU 258 Cb 1.24 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.90 2qnj h LEU 258 CO 0.38 1.04 -0.20 0.50 -0.34 0.00 0.00 178.44 179.82 2qnj h LYS 259 N 0.84 -0.07 -0.32 1.25 3.64 -1.99 -0.57 116.57 119.35 2qnj h LYS 259 Ca 0.15 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2qnj h LYS 259 Cb 0.57 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2qnj h LYS 259 CO 0.03 -0.05 -0.09 1.49 -2.27 0.00 0.00 179.45 178.57 2qnj h GLU 260 N -0.07 0.62 -0.54 1.90 4.81 -1.88 -2.08 114.58 117.34 2qnj h GLU 260 Ca 0.25 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 2qnj h GLU 260 Cb 0.46 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 2qnj h GLU 260 CO -0.58 0.81 0.29 1.25 -0.73 0.00 0.00 179.01 180.04 2qnj h LEU 261 N 0.39 0.43 0.25 1.64 7.12 -1.13 -2.69 115.31 121.32 2qnj h LEU 261 Ca 0.08 0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.11 2qnj h LEU 261 Cb 0.59 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.65 2qnj h LEU 261 CO 0.03 0.29 -0.19 -0.09 -0.13 0.00 0.00 178.44 178.36 2qnj h ARG 262 N 0.56 -0.43 -0.67 1.25 2.43 -0.92 -0.91 114.38 115.69 2qnj h ARG 262 Ca 0.23 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.56 2qnj h ARG 262 Cb 0.12 0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 29.64 2qnj h ARG 262 CO -0.15 -0.29 -0.23 1.49 -1.51 0.00 0.00 179.97 179.28 2qnj h GLU 263 N -0.44 -0.05 -0.27 0.20 4.81 -1.24 0.11 114.58 117.69 2qnj h GLU 263 Ca -0.02 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.11 2qnj h GLU 263 Cb 0.39 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2qnj h GLU 263 CO -0.00 -0.04 -0.26 0.00 -0.73 0.00 0.00 179.01 177.98 2qnj h ARG 264 N -0.06 0.64 -0.06 1.92 3.08 -1.30 -2.69 114.38 115.92 2qnj h ARG 264 Ca 0.30 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qnj h ARG 264 Cb 0.53 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2qnj h ARG 264 CO -0.72 0.94 0.03 0.28 -1.07 0.00 0.00 179.97 179.43 2qnj h VAL 265 N 0.37 1.10 -0.91 2.04 2.07 -0.32 0.13 116.25 120.73 2qnj h VAL 265 Ca 0.04 -0.29 0.12 0.00 0.82 0.00 0.00 66.70 67.40 2qnj h VAL 265 Cb 0.82 1.19 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 2qnj h VAL 265 CO 0.06 0.08 0.58 -0.07 0.02 0.00 0.00 177.57 178.25 2qnj h LEU 266 N -0.02 0.75 0.00 2.57 3.38 -0.86 -1.74 115.31 119.39 2qnj h LEU 266 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2qnj h LEU 266 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2qnj h LEU 266 CO -0.00 0.40 -0.21 -0.09 0.09 0.00 0.00 178.44 178.63 2qnj h ARG 267 N 0.80 0.00 -5.75 1.13 2.43 -1.05 -3.49 114.38 108.46 2qnj h ARG 267 Ca 0.45 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 59.18 2qnj h ARG 267 Cb 0.58 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 2qnj h ARG 267 CO -0.21 0.00 -0.68 0.41 -1.51 0.00 0.00 179.97 177.98 2qnj n GLY 268 N 1.14 -0.51 3.49 2.80 0.00 0.38 -5.01 105.19 107.48 2qnj n GLY 268 Ca 0.03 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2qnj n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qnj s LYS 269 N -6.30 2.57 -0.07 1.61 1.02 -1.25 -5.04 119.74 112.28 2qnj s LYS 269 Ca 0.54 -0.68 -0.07 0.00 0.02 0.00 0.00 55.97 55.79 2qnj s LYS 269 Cb -0.27 -2.42 0.02 0.00 -0.52 0.00 0.00 37.83 34.64 2qnj s LYS 269 CO 0.67 0.61 0.19 1.52 -0.92 0.00 0.00 175.35 177.42 2qnj s TYR 270 N -0.69 -0.19 0.21 3.18 -0.85 -1.26 -4.90 117.35 112.84 2qnj s TYR 270 Ca 0.11 0.46 -0.32 0.00 -0.52 0.00 0.00 57.07 56.80 2qnj s TYR 270 Cb -0.11 0.06 -0.15 0.00 0.38 0.00 0.00 41.96 42.15 2qnj s TYR 270 CO 0.01 -0.13 1.23 -2.13 -1.52 0.00 0.00 175.55 173.01 2qnj n ARG 271 N 2.80 1.48 -3.35 -3.49 0.63 -1.26 -4.95 116.66 108.52 2qnj n ARG 271 Ca -0.14 0.53 -0.45 0.00 -0.92 0.00 0.00 57.85 56.87 2qnj n ARG 271 Cb 0.58 -2.07 -0.06 0.00 0.45 0.00 0.00 32.46 31.36 2qnj n ARG 271 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2qnj s ILE 272 N -0.23 5.19 0.71 5.15 -1.09 -1.26 -5.07 121.20 124.61 2qnj s ILE 272 Ca 0.70 -1.32 -0.16 0.00 -2.23 0.00 0.00 60.65 57.64 2qnj s ILE 272 Cb -0.77 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 35.90 2qnj s ILE 272 CO 0.52 -0.74 1.23 -2.84 -1.23 0.00 0.00 174.94 171.88 2qnj s PRO 273 N 1.61 2.24 0.57 2.79 0.02 -1.26 -4.85 135.00 136.12 2qnj s PRO 273 Ca 0.03 1.86 0.27 0.00 0.02 0.00 0.00 61.00 63.18 2qnj s PRO 273 Cb -0.27 -1.83 1.52 0.00 0.02 0.00 0.00 34.50 33.93 2qnj s PRO 273 CO 0.04 -1.78 2.02 0.27 -0.33 0.00 0.00 177.00 177.22 2qnj h PHE 274 N -0.06 0.00 -0.00 6.54 -5.15 -2.03 -1.75 116.94 114.49 2qnj h PHE 274 Ca -0.49 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.28 2qnj h PHE 274 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.48 2qnj h PHE 274 CO 0.45 0.00 -0.17 2.48 -2.00 0.00 0.00 178.31 179.07 2qnj n TYR 275 N -3.98 0.00 -2.66 6.09 0.18 -1.26 -4.87 117.16 110.66 2qnj n TYR 275 Ca 0.05 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.40 2qnj n TYR 275 Cb 0.48 -0.25 -0.02 0.00 -0.38 0.00 0.00 39.34 39.17 2qnj n TYR 275 CO 0.00 0.00 0.00 1.41 -2.08 0.00 0.00 176.86 176.19 2qnj s MET 276 N -2.66 3.91 0.57 -3.48 1.75 -0.66 -4.99 119.30 113.74 2qnj s MET 276 Ca 0.23 0.82 -0.19 0.00 -1.25 0.00 0.00 55.69 55.29 2qnj s MET 276 Cb 0.19 -3.80 -0.06 0.00 2.84 0.00 0.00 34.83 34.00 2qnj s MET 276 CO 0.53 -1.06 0.93 -1.13 -0.65 0.00 0.00 175.02 173.63 2qnj n SER 277 N 7.16 0.67 0.27 1.11 3.41 -1.26 -4.76 113.62 120.22 2qnj n SER 277 Ca 0.11 0.84 0.15 0.00 -0.26 0.00 0.00 58.87 59.71 2qnj n SER 277 Cb 0.48 -1.36 0.72 0.00 -0.26 0.00 0.00 64.21 63.79 2qnj n SER 277 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2qnj h THR 278 N 0.64 0.27 -0.21 6.66 1.35 -1.99 -1.75 112.91 117.88 2qnj h THR 278 Ca -0.48 -0.58 -0.19 0.00 -0.55 0.00 0.00 66.41 64.61 2qnj h THR 278 Cb 1.36 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2qnj h THR 278 CO 0.51 0.08 -0.63 0.44 -0.25 0.00 0.00 175.52 175.67 2qnj h ASP 279 N 0.00 0.84 -0.50 5.36 3.32 -1.99 -1.65 116.42 121.80 2qnj h ASP 279 Ca -0.00 -0.49 -0.05 0.00 0.02 0.00 0.00 57.03 56.51 2qnj h ASP 279 Cb 0.45 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2qnj h ASP 279 CO 0.01 1.26 0.13 0.00 -1.72 0.00 0.00 179.24 178.93 2qnj h GLU 281 N 0.82 0.65 0.03 0.00 4.81 -0.95 -2.07 114.58 117.87 2qnj h GLU 281 Ca 0.18 -0.14 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 2qnj h GLU 281 Cb 0.30 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2qnj h GLU 281 CO -0.00 0.63 -1.00 -0.91 -0.73 0.00 0.00 179.01 177.00 2qnj h ASN 282 N 0.63 0.49 -0.37 1.04 2.35 -0.69 -2.62 115.58 116.42 2qnj h ASN 282 Ca 0.14 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2qnj h ASN 282 Cb 0.31 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 2qnj h ASN 282 CO 0.01 1.24 0.24 0.25 -1.65 0.00 0.00 177.43 177.52 2qnj h LEU 283 N 0.19 0.43 -1.50 1.61 6.46 -0.81 -2.46 115.31 119.23 2qnj h LEU 283 Ca -0.09 -0.02 0.07 0.00 -0.12 0.00 0.00 57.88 57.72 2qnj h LEU 283 Cb 1.66 -0.11 -0.04 0.00 -0.73 0.00 0.00 40.66 41.44 2qnj h LEU 283 CO 0.17 0.32 0.42 -0.07 -0.62 0.00 0.00 178.44 178.66 2qnj h LEU 284 N 0.50 0.54 -2.59 2.25 3.38 -1.03 0.23 115.31 118.59 2qnj h LEU 284 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qnj h LEU 284 Cb -0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 2qnj h LEU 284 CO -0.03 0.34 -0.01 0.11 0.09 0.00 0.00 178.44 178.94 2qnj h LYS 285 N 0.61 0.00 0.00 1.13 1.57 -1.09 -0.86 116.57 117.93 2qnj h LYS 285 Ca 0.28 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.89 2qnj h LYS 285 Cb 0.31 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.59 2qnj h LYS 285 CO -0.09 0.01 -0.92 0.00 -0.57 0.00 0.00 179.45 177.89 2qnj h ARG 286 N 0.00 0.00 0.03 3.15 3.08 -0.51 -3.37 114.38 116.76 2qnj h ARG 286 Ca -0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 2qnj h ARG 286 Cb 0.11 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2qnj h ARG 286 CO 0.00 0.67 -1.75 1.19 -1.07 0.00 0.00 179.97 179.02 2qnj n PHE 287 N -3.22 0.85 -2.87 3.04 3.72 -0.74 -1.71 117.46 116.53 2qnj n PHE 287 Ca -0.02 0.29 -0.43 0.00 -0.05 0.00 0.00 57.45 57.25 2qnj n PHE 287 Cb 0.86 -1.10 0.01 0.00 -0.94 0.00 0.00 39.48 38.31 2qnj n PHE 287 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2qnj n LEU 288 N -4.07 6.60 -4.50 4.37 4.77 -0.41 -4.33 117.00 119.44 2qnj n LEU 288 Ca -0.37 -5.17 -0.34 0.00 -0.03 0.00 0.00 56.01 50.11 2qnj n LEU 288 Cb 0.83 -1.28 -0.12 0.00 -2.33 0.00 0.00 43.42 40.52 2qnj n LEU 288 CO 0.23 1.71 -0.38 -0.69 -1.33 0.00 0.00 177.39 176.93 2qnj s VAL 289 N -2.60 3.65 0.10 4.08 1.01 -1.26 -4.90 120.40 120.48 2qnj s VAL 289 Ca 0.33 -0.46 -0.23 0.00 0.00 0.00 0.00 61.98 61.62 2qnj s VAL 289 Cb 0.07 -2.55 -0.12 0.00 0.00 0.00 0.00 36.38 33.78 2qnj s VAL 289 CO 0.07 0.53 1.72 -0.07 0.00 0.00 0.00 175.10 177.36 2qnj h LEU 290 N 6.23 -0.11 -8.89 3.92 3.38 -1.96 -3.40 115.31 114.49 2qnj h LEU 290 Ca -0.36 0.02 -0.57 0.00 0.09 0.00 0.00 57.88 57.07 2qnj h LEU 290 Cb 1.19 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.94 2qnj h LEU 290 CO 0.58 -0.06 1.03 0.21 0.09 0.00 0.00 178.44 180.29 2qnj s ASN 291 N -5.14 6.48 0.51 -0.43 3.84 -1.26 -4.75 114.94 114.20 2qnj s ASN 291 Ca -0.13 1.07 0.20 0.00 0.21 0.00 0.00 52.86 54.20 2qnj s ASN 291 Cb 0.07 -2.54 1.29 0.00 -0.55 0.00 0.00 41.25 39.52 2qnj s ASN 291 CO 0.66 -1.27 2.05 1.55 -2.79 0.00 0.00 177.10 177.31 2qnj h PRO 292 N 10.11 0.07 0.00 0.43 0.13 -1.98 -2.28 132.00 138.48 2qnj h PRO 292 Ca -0.27 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 2qnj h PRO 292 Cb 1.11 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 2qnj h PRO 292 CO 1.05 0.04 -0.67 0.82 -0.23 0.00 0.00 178.00 179.02 2qnj h ILE 293 N 0.07 1.18 0.00 -3.56 2.04 -1.94 -2.90 117.51 112.40 2qnj h ILE 293 Ca 0.16 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2qnj h ILE 293 Cb 0.56 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2qnj h ILE 293 CO -0.01 0.65 0.00 0.29 0.00 0.00 0.00 178.15 179.08 2qnj n LYS 294 N -3.32 0.72 -3.02 2.37 5.02 -0.86 -4.86 118.16 114.22 2qnj n LYS 294 Ca 0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.99 2qnj n LYS 294 Cb 0.78 -1.29 -0.04 0.00 -0.02 0.00 0.00 35.03 34.46 2qnj n LYS 294 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2qnj s ARG 295 N -2.00 3.86 0.46 1.97 0.52 -1.10 -4.94 118.95 117.72 2qnj s ARG 295 Ca 0.20 0.51 -0.22 0.00 -0.52 0.00 0.00 55.73 55.70 2qnj s ARG 295 Cb 0.09 -2.43 -0.08 0.00 0.52 0.00 0.00 34.95 33.04 2qnj s ARG 295 CO 0.15 0.07 1.07 0.20 0.02 0.00 0.00 175.30 176.81 2qnj s GLY 296 N -2.77 2.64 0.56 -3.53 0.00 -0.70 -5.03 107.32 98.49 2qnj s GLY 296 Ca 0.52 0.70 -0.14 0.00 0.00 0.00 0.00 44.72 45.80 2qnj s GLY 296 CO 0.25 1.08 1.01 -0.51 0.00 0.00 0.00 173.10 174.93 2qnj s THR 297 N -1.79 4.57 0.32 0.90 -4.23 -1.26 -4.91 115.64 109.24 2qnj s THR 297 Ca 0.64 1.06 0.02 0.00 -1.18 0.00 0.00 61.69 62.23 2qnj s THR 297 Cb -0.21 -3.76 0.28 0.00 1.34 0.00 0.00 72.50 70.15 2qnj s THR 297 CO 0.25 -0.87 1.93 -0.07 -0.54 0.00 0.00 174.62 175.32 2qnj h LEU 298 N 0.37 0.84 -0.68 4.79 3.38 -1.97 -1.40 115.31 120.64 2qnj h LEU 298 Ca -0.46 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.58 2qnj h LEU 298 Cb 1.19 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 2qnj h LEU 298 CO 0.61 0.55 0.38 -0.08 0.09 0.00 0.00 178.44 180.00 2qnj h GLU 299 N 0.96 0.68 -0.04 1.13 4.81 -1.96 0.05 114.58 120.20 2qnj h GLU 299 Ca 0.36 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 2qnj h GLU 299 Cb 0.18 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 2qnj h GLU 299 CO -0.12 0.45 -0.01 1.96 -0.73 0.00 0.00 179.01 180.55 2qnj h GLN 300 N 0.70 0.09 -0.27 1.92 4.20 -1.86 -3.25 115.11 116.64 2qnj h GLN 300 Ca 0.31 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 59.02 2qnj h GLN 300 Cb 0.19 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2qnj h GLN 300 CO -0.19 0.44 0.18 0.82 -0.67 0.00 0.00 178.83 179.42 2qnj h ILE 301 N -0.27 0.96 0.00 2.54 2.04 -0.50 0.29 117.51 122.57 2qnj h ILE 301 Ca 0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.81 2qnj h ILE 301 Cb 0.41 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 2qnj h ILE 301 CO 0.00 0.03 0.11 0.24 0.00 0.00 0.00 178.15 178.54 2qnj h MET 302 N 0.19 0.00 -0.00 2.37 2.86 -1.04 -0.54 114.93 118.77 2qnj h MET 302 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2qnj h MET 302 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2qnj h MET 302 CO -0.02 0.00 -0.32 1.63 1.06 0.00 0.00 176.91 179.26 2qnj n LYS 303 N -2.74 0.36 -1.65 1.72 5.02 0.10 -4.22 118.16 116.76 2qnj n LYS 303 Ca -0.02 -0.19 -0.38 0.00 -2.02 0.00 0.00 58.31 55.70 2qnj n LYS 303 Cb 0.16 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 2qnj n LYS 303 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2qnj n ASP 304 N -1.15 1.24 -0.20 4.39 -0.08 -0.21 -4.86 116.55 115.68 2qnj n ASP 304 Ca 0.09 0.84 -0.04 0.00 -1.51 0.00 0.00 54.79 54.17 2qnj n ASP 304 Cb 0.33 -1.44 0.06 0.00 2.34 0.00 0.00 41.12 42.41 2qnj n ASP 304 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2qnj h ARG 305 N 0.66 0.65 -0.08 -0.67 9.65 -1.93 -2.62 114.38 120.04 2qnj h ARG 305 Ca -0.49 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.34 2qnj h ARG 305 Cb 1.35 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2qnj h ARG 305 CO 0.52 0.43 -0.02 2.35 2.80 0.00 0.00 179.97 186.06 2qnj h TRP 306 N 0.67 0.17 -0.62 2.20 7.01 -1.92 -2.88 115.95 120.59 2qnj h TRP 306 Ca 0.24 -0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.29 2qnj h TRP 306 Cb 0.06 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 27.04 2qnj h TRP 306 CO -0.07 0.46 0.41 0.82 -2.79 0.00 0.00 178.44 177.28 2qnj h ILE 307 N -0.18 0.94 -0.22 2.65 2.04 -1.88 -2.70 117.51 118.16 2qnj h ILE 307 Ca 0.02 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.70 2qnj h ILE 307 Cb 0.41 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2qnj h ILE 307 CO 0.01 0.09 0.00 0.59 0.00 0.00 0.00 178.15 178.84 2qnj n ASN 308 N -4.48 2.64 -4.69 1.72 3.02 -0.99 -4.90 115.26 107.57 2qnj n ASN 308 Ca 0.10 -1.86 -0.42 0.00 -0.03 0.00 0.00 54.58 52.36 2qnj n ASN 308 Cb 0.31 -0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 2qnj n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qnj s ALA 309 N -1.73 3.69 -0.17 5.41 0.00 -1.02 -1.06 121.76 126.87 2qnj s ALA 309 Ca 0.35 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2qnj s ALA 309 Cb 0.20 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.64 2qnj s ALA 309 CO 0.30 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.40 2qnj n GLY 310 N 3.96 0.51 2.72 0.00 0.00 -1.26 -4.93 105.19 106.19 2qnj n GLY 310 Ca 0.16 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2qnj n GLY 310 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qnj n HIS 311 N -2.94 1.43 -0.34 1.61 -0.00 -0.23 -4.97 115.22 109.77 2qnj n HIS 311 Ca -0.02 -2.31 0.03 0.00 -0.00 0.00 0.00 57.72 55.43 2qnj n HIS 311 Cb 0.06 -0.27 0.11 0.00 -0.00 0.00 0.00 29.99 29.89 2qnj n HIS 311 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.34 177.39 2qnj h GLU 312 N 2.65 -0.01 -0.66 -0.41 9.09 -1.92 0.24 114.58 123.56 2qnj h GLU 312 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2qnj h GLU 312 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.37 2qnj h GLU 312 CO 0.32 -0.00 0.00 -0.85 0.05 0.00 0.00 179.01 178.52 2qnj n GLU 313 N -5.57 2.59 -2.12 1.06 -0.00 -1.26 -4.27 120.64 111.06 2qnj n GLU 313 Ca 0.13 -2.46 -0.05 0.00 -0.00 0.00 0.00 57.16 54.78 2qnj n GLU 313 Cb 0.46 -1.53 0.05 0.00 -0.00 0.00 0.00 31.44 30.42 2qnj n GLU 313 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2qnj n ASP 314 N 1.52 2.33 -3.81 -1.84 4.64 0.83 -5.08 116.55 115.15 2qnj n ASP 314 Ca 0.23 -2.67 -0.51 0.00 -1.38 0.00 0.00 54.79 50.46 2qnj n ASP 314 Cb 0.58 -0.42 -0.07 0.00 -1.04 0.00 0.00 41.12 40.18 2qnj n ASP 314 CO 0.00 0.00 0.00 1.21 -0.82 0.00 0.00 177.20 177.59 2qnj n GLU 315 N -0.47 0.00 -1.96 -0.67 2.13 -1.13 -4.86 120.64 113.68 2qnj n GLU 315 Ca 0.18 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.58 2qnj n GLU 315 Cb 0.90 -1.25 -0.02 0.00 0.27 0.00 0.00 31.44 31.34 2qnj n GLU 315 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2qnj s LEU 316 N 0.49 4.38 0.13 4.31 2.96 -1.26 -5.04 118.68 124.64 2qnj s LEU 316 Ca 0.78 2.78 0.01 0.00 -0.22 0.00 0.00 54.13 57.47 2qnj s LEU 316 Cb -1.10 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 41.91 2qnj s LEU 316 CO 0.52 -0.74 -0.00 -1.59 -1.32 0.00 0.00 176.35 173.22 2qnj s LYS 317 N -0.87 0.93 0.34 1.98 0.00 -1.26 -4.57 119.74 116.29 2qnj s LYS 317 Ca 0.57 -1.42 -0.26 0.00 0.00 0.00 0.00 55.97 54.87 2qnj s LYS 317 Cb -0.43 -0.04 -0.14 0.00 0.00 0.00 0.00 37.83 37.22 2qnj s LYS 317 CO 0.48 -0.14 0.75 -2.30 0.00 0.00 0.00 175.35 174.14 2qnj n PRO 318 N -0.11 0.82 -2.59 1.78 -0.02 -1.26 -4.89 135.00 128.73 2qnj n PRO 318 Ca -0.08 0.29 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 2qnj n PRO 318 Cb 0.63 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 2qnj n PRO 318 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2qnj s PHE 319 N -1.23 3.48 -0.35 6.00 5.36 -1.26 -5.02 117.98 124.95 2qnj s PHE 319 Ca 0.62 1.49 -0.12 0.00 -0.96 0.00 0.00 56.93 57.96 2qnj s PHE 319 Cb -0.69 -3.26 0.01 0.00 -0.34 0.00 0.00 43.02 38.73 2qnj s PHE 319 CO 0.58 -0.60 0.22 0.08 -1.46 0.00 0.00 175.22 174.03 2qnj s VAL 320 N 1.52 4.87 0.05 3.12 1.01 -1.26 -4.97 120.40 124.74 2qnj s VAL 320 Ca 0.53 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.67 2qnj s VAL 320 Cb -0.23 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.46 2qnj s VAL 320 CO 0.25 -0.11 1.88 -0.70 0.00 0.00 0.00 175.10 176.41 2qnj s GLU 321 N 1.63 4.15 0.28 2.72 2.12 -1.26 -4.97 118.70 123.37 2qnj s GLU 321 Ca 0.04 2.54 -0.20 0.00 0.36 0.00 0.00 54.97 57.71 2qnj s GLU 321 Cb -0.18 -3.96 -0.09 0.00 0.26 0.00 0.00 34.13 30.15 2qnj s GLU 321 CO 0.08 -0.90 0.80 -1.25 -0.54 0.00 0.00 175.26 173.45 2qnj s PRO 322 N 3.87 4.28 0.17 4.30 0.04 -1.26 -4.96 135.00 141.44 2qnj s PRO 322 Ca 0.84 0.96 -0.32 0.00 0.04 0.00 0.00 61.00 62.52 2qnj s PRO 322 Cb -0.42 -2.73 -0.11 0.00 0.04 0.00 0.00 34.50 31.28 2qnj s PRO 322 CO 0.38 0.29 1.78 -1.83 0.04 0.00 0.00 177.00 177.67 2qnj s GLU 323 N -2.26 4.13 -0.01 4.56 1.03 -1.26 -4.89 118.70 119.99 2qnj s GLU 323 Ca 0.48 2.62 -0.30 0.00 0.03 0.00 0.00 54.97 57.80 2qnj s GLU 323 Cb -0.15 -3.32 -0.07 0.00 -0.80 0.00 0.00 34.13 29.79 2qnj s GLU 323 CO 0.20 -0.80 1.75 -1.17 -1.33 0.00 0.00 175.26 173.91 2qnj s LEU 324 N 1.92 4.36 -0.40 1.83 2.96 -1.26 -4.95 118.68 123.14 2qnj s LEU 324 Ca 0.78 2.39 -0.28 0.00 -0.22 0.00 0.00 54.13 56.80 2qnj s LEU 324 Cb -0.48 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.67 2qnj s LEU 324 CO 0.34 -0.96 1.59 -0.62 -1.32 0.00 0.00 176.35 175.38 2qnj s ASP 325 N 3.59 6.09 -0.17 3.68 2.15 -1.26 -4.88 116.67 125.88 2qnj s ASP 325 Ca 0.78 0.94 0.16 0.00 0.43 0.00 0.00 52.55 54.86 2qnj s ASP 325 Cb -0.37 -2.53 0.61 0.00 -0.30 0.00 0.00 42.92 40.33 2qnj s ASP 325 CO 0.33 -1.61 1.52 2.30 -0.17 0.00 0.00 175.17 177.54 2qnj n ILE 326 N 7.20 2.23 -0.11 4.11 -5.35 -1.26 -4.37 119.36 121.81 2qnj n ILE 326 Ca 0.19 -1.59 0.00 0.00 -0.27 0.00 0.00 62.75 61.08 2qnj n ILE 326 Cb 0.48 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 2qnj n ILE 326 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2qnj n SER 327 N 0.09 1.36 -4.55 7.28 7.64 -1.26 -4.96 113.62 119.22 2qnj n SER 327 Ca 0.23 -1.47 -0.41 0.00 1.01 0.00 0.00 58.87 58.23 2qnj n SER 327 Cb 0.93 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.08 2qnj n SER 327 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2qnj n ASP 328 N -0.24 2.43 0.17 6.43 4.64 -1.26 -4.81 116.55 123.92 2qnj n ASP 328 Ca 0.00 -0.11 0.04 0.00 -1.38 0.00 0.00 54.79 53.34 2qnj n ASP 328 Cb 0.16 -1.48 0.28 0.00 -1.04 0.00 0.00 41.12 39.04 2qnj n ASP 328 CO 0.00 0.00 0.00 1.56 -0.82 0.00 0.00 177.20 177.94 2qnj h GLN 329 N 16.67 0.00 -0.54 -0.67 1.08 -1.98 -2.10 115.11 127.58 2qnj h GLN 329 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 2qnj h GLN 329 Cb 1.27 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.67 2qnj h GLN 329 CO 1.09 0.43 0.34 0.87 -0.95 0.00 0.00 178.83 180.62 2qnj h LYS 330 N 0.00 0.72 -0.49 1.46 1.79 -2.00 0.15 116.57 118.20 2qnj h LYS 330 Ca -0.00 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2qnj h LYS 330 Cb 0.97 -0.16 -0.02 0.00 -1.58 0.00 0.00 32.23 31.45 2qnj h LYS 330 CO 0.06 0.50 -0.00 -0.09 -1.08 0.00 0.00 179.45 178.83 2qnj h ARG 331 N 0.72 0.86 -0.58 3.15 9.65 -1.91 -2.76 114.38 123.51 2qnj h ARG 331 Ca 0.19 -0.28 -0.09 0.00 -1.10 0.00 0.00 59.98 58.71 2qnj h ARG 331 Cb -0.05 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.43 2qnj h ARG 331 CO -0.04 0.90 0.00 0.82 2.80 0.00 0.00 179.97 184.46 2qnj h ILE 332 N 0.72 1.26 -0.90 1.20 2.04 -0.99 -2.63 117.51 118.22 2qnj h ILE 332 Ca 0.14 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.87 2qnj h ILE 332 Cb 0.52 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 2qnj h ILE 332 CO 0.03 0.41 0.56 0.44 0.00 0.00 0.00 178.15 179.58 2qnj h ASP 333 N 0.93 1.07 -0.93 1.72 3.45 -0.93 0.04 116.42 121.77 2qnj h ASP 333 Ca 0.17 -0.06 -0.01 0.00 0.43 0.00 0.00 57.03 57.56 2qnj h ASP 333 Cb 0.53 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.99 2qnj h ASP 333 CO 0.03 0.81 0.55 0.40 -1.57 0.00 0.00 179.24 179.46 2qnj h ILE 334 N 1.24 1.26 -0.00 0.35 2.04 -1.20 -0.91 117.51 120.28 2qnj h ILE 334 Ca 0.33 -0.58 -0.19 0.00 1.00 0.00 0.00 64.86 65.42 2qnj h ILE 334 Cb -0.08 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 35.95 2qnj h ILE 334 CO -0.06 0.27 -0.85 0.24 0.00 0.00 0.00 178.15 177.75 2qnj h MET 335 N 1.29 0.20 -0.78 2.37 2.86 -1.09 -1.27 114.93 118.51 2qnj h MET 335 Ca 0.33 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.83 2qnj h MET 335 Cb -0.04 0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.62 2qnj h MET 335 CO -0.06 0.94 0.46 0.28 1.06 0.00 0.00 176.91 179.59 2qnj h VAL 336 N 0.11 1.01 0.00 -2.22 2.07 -0.57 -0.66 116.25 115.99 2qnj h VAL 336 Ca -0.04 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 2qnj h VAL 336 Cb 1.47 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2qnj h VAL 336 CO 0.13 0.15 -0.18 1.23 0.02 0.00 0.00 177.57 178.93 2qnj h GLY 337 N 0.85 0.00 0.33 2.17 0.00 -0.23 0.44 103.07 106.63 2qnj h GLY 337 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2qnj h GLY 337 CO -0.18 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.39 2qnj n MET 338 N -3.99 1.06 -0.50 4.80 2.81 -0.37 -4.84 117.12 116.09 2qnj n MET 338 Ca -0.02 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2qnj n MET 338 Cb 0.26 -1.23 0.00 0.00 -0.71 0.00 0.00 33.22 31.54 2qnj n MET 338 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qnj n GLY 339 N 0.75 0.72 3.81 3.03 0.00 0.14 -5.08 105.19 108.56 2qnj n GLY 339 Ca 0.11 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 2qnj n GLY 339 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qnj s TYR 340 N -2.00 3.68 0.49 1.61 2.02 -0.53 -5.00 117.35 117.62 2qnj s TYR 340 Ca 0.00 0.96 -0.21 0.00 -0.37 0.00 0.00 57.07 57.46 2qnj s TYR 340 Cb 0.00 -2.34 -0.08 0.00 -0.40 0.00 0.00 41.96 39.14 2qnj s TYR 340 CO 0.00 0.54 1.07 -1.54 -1.57 0.00 0.00 175.55 174.06 2qnj s SER 341 N -0.72 6.20 0.34 2.29 1.04 -1.26 -3.82 113.70 117.78 2qnj s SER 341 Ca 0.24 2.04 0.05 0.00 0.48 0.00 0.00 55.95 58.75 2qnj s SER 341 Cb -0.16 -2.57 0.63 0.00 0.10 0.00 0.00 66.02 64.01 2qnj s SER 341 CO 0.12 -0.88 1.89 1.56 0.98 0.00 0.00 173.24 176.92 2qnj h GLN 342 N 1.59 0.53 0.20 4.02 4.20 -1.97 -0.57 115.11 123.11 2qnj h GLN 342 Ca -0.50 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.10 2qnj h GLN 342 Cb 1.23 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2qnj h GLN 342 CO 0.59 0.53 -0.09 1.49 -0.67 0.00 0.00 178.83 180.68 2qnj h GLU 343 N 0.51 -0.25 -0.51 1.46 4.81 -2.00 -1.79 114.58 116.80 2qnj h GLU 343 Ca 0.11 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 2qnj h GLU 343 Cb 0.29 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2qnj h GLU 343 CO 0.01 -0.06 0.05 1.05 -0.73 0.00 0.00 179.01 179.33 2qnj h GLU 344 N -0.41 0.83 0.64 1.92 4.11 -1.82 -2.63 114.58 117.22 2qnj h GLU 344 Ca -0.03 -0.20 -0.03 0.00 0.07 0.00 0.00 59.36 59.17 2qnj h GLU 344 Cb 0.31 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qnj h GLU 344 CO 0.04 0.80 -0.37 0.82 0.07 0.00 0.00 179.01 180.37 2qnj h ILE 345 N 0.78 0.24 -0.89 -1.06 2.04 -0.90 -1.75 117.51 115.97 2qnj h ILE 345 Ca 0.16 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.26 2qnj h ILE 345 Cb 0.40 0.24 -0.14 0.00 -0.74 0.00 0.00 36.82 36.58 2qnj h ILE 345 CO 0.01 0.00 0.29 1.56 0.00 0.00 0.00 178.15 180.01 2qnj h GLN 346 N -0.95 0.23 0.03 2.37 4.20 -1.25 -0.83 115.11 118.91 2qnj h GLN 346 Ca -0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 2qnj h GLN 346 Cb 0.76 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2qnj h GLN 346 CO 0.09 0.15 -0.01 1.49 -0.67 0.00 0.00 178.83 179.89 2qnj h GLU 347 N 0.24 -0.04 -0.31 1.46 4.81 -1.12 -0.31 114.58 119.31 2qnj h GLU 347 Ca 0.57 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.74 2qnj h GLU 347 Cb 1.17 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 2qnj h GLU 347 CO -0.64 0.33 -0.10 0.77 -0.73 0.00 0.00 179.01 178.64 2qnj h SER 348 N -0.41 0.49 0.33 1.04 0.02 -0.81 -1.99 113.55 112.21 2qnj h SER 348 Ca -0.00 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 2qnj h SER 348 Cb 0.39 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2qnj h SER 348 CO 0.01 0.63 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.10 2qnj h LEU 349 N 0.48 -0.37 -0.28 5.07 4.07 -1.15 -1.36 115.31 121.77 2qnj h LEU 349 Ca 0.09 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 2qnj h LEU 349 Cb 0.47 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 2qnj h LEU 349 CO 0.03 0.07 0.16 0.77 -1.08 0.00 0.00 178.44 178.39 2qnj h SER 350 N -0.92 0.34 -0.27 -0.43 4.64 -1.08 -0.86 113.55 114.98 2qnj h SER 350 Ca -0.04 -0.06 0.08 0.00 -0.47 0.00 0.00 61.79 61.29 2qnj h SER 350 Cb 0.52 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 2qnj h SER 350 CO 0.07 0.30 0.22 0.50 -0.87 0.00 0.00 176.83 177.05 2qnj h LYS 351 N 0.35 0.00 -4.61 4.77 1.63 -1.49 -3.47 116.57 113.75 2qnj h LYS 351 Ca 0.10 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.52 2qnj h LYS 351 Cb 0.03 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 31.74 2qnj h LYS 351 CO -0.02 0.00 -0.59 -0.12 -3.45 0.00 0.00 179.45 175.27 2qnj n MET 352 N -4.20 -5.47 -2.28 1.90 1.56 -0.33 -4.99 117.12 103.31 2qnj n MET 352 Ca 0.04 0.84 -0.39 0.00 -0.27 0.00 0.00 57.70 57.92 2qnj n MET 352 Cb 0.38 -5.64 -0.02 0.00 2.15 0.00 0.00 33.22 30.08 2qnj n MET 352 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 2qnj s LYS 353 N -5.81 4.21 -1.16 2.12 -2.85 -0.82 -4.96 119.74 110.48 2qnj s LYS 353 Ca 0.36 1.92 -0.04 0.00 -1.00 0.00 0.00 55.97 57.22 2qnj s LYS 353 Cb -0.16 -2.84 0.24 0.00 -2.06 0.00 0.00 37.83 33.00 2qnj s LYS 353 CO 0.45 -0.21 1.98 0.66 0.10 0.00 0.00 175.35 178.33 2qnj n TYR 354 N 0.40 2.65 -3.16 1.78 4.01 -1.26 -4.52 117.16 117.06 2qnj n TYR 354 Ca 0.03 -2.67 -0.04 0.00 -0.16 0.00 0.00 57.90 55.05 2qnj n TYR 354 Cb 0.45 -1.49 0.01 0.00 -0.31 0.00 0.00 39.34 38.00 2qnj n TYR 354 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2qnj n ASP 355 N 1.10 0.65 0.20 7.72 5.68 -1.26 -1.36 116.55 129.28 2qnj n ASP 355 Ca 0.49 -1.31 0.04 0.00 -0.50 0.00 0.00 54.79 53.51 2qnj n ASP 355 Cb 0.27 -0.06 0.41 0.00 -1.14 0.00 0.00 41.12 40.61 2qnj n ASP 355 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2qnj h GLU 356 N 0.00 0.00 0.39 0.11 4.11 -1.91 -0.58 114.58 116.70 2qnj h GLU 356 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2qnj h GLU 356 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2qnj h GLU 356 CO 0.08 0.31 -0.19 0.82 0.07 0.00 0.00 179.01 180.10 2qnj h ILE 357 N 0.00 0.44 0.07 -1.06 2.04 -1.95 -1.77 117.51 115.28 2qnj h ILE 357 Ca -0.00 -0.62 0.02 0.00 1.00 0.00 0.00 64.86 65.26 2qnj h ILE 357 Cb 0.56 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2qnj h ILE 357 CO 0.04 0.09 -0.25 0.74 0.00 0.00 0.00 178.15 178.76 2qnj h THR 358 N -0.95 0.44 -0.73 -0.27 2.02 -1.73 -2.22 112.91 109.47 2qnj h THR 358 Ca -0.05 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.28 2qnj h THR 358 Cb 0.54 0.44 -0.13 0.00 -1.74 0.00 0.00 68.15 67.26 2qnj h THR 358 CO 0.09 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.87 2qnj h ALA 359 N 0.35 0.59 -0.26 6.16 0.00 -1.18 -0.31 119.26 124.61 2qnj h ALA 359 Ca 0.04 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2qnj h ALA 359 Cb 0.48 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2qnj h ALA 359 CO -0.18 -0.42 0.14 1.15 0.00 0.00 0.00 179.25 179.95 2qnj h THR 360 N 0.04 1.12 -0.07 0.00 2.02 -0.74 0.01 112.91 115.29 2qnj h THR 360 Ca 0.37 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.28 2qnj h THR 360 Cb 0.60 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 67.82 2qnj h THR 360 CO -0.70 0.12 -0.24 0.22 0.37 0.00 0.00 175.52 175.28 2qnj h TYR 361 N 0.30 -0.64 -0.52 3.16 3.20 -0.74 -1.12 116.97 120.61 2qnj h TYR 361 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 2qnj h TYR 361 Cb 0.06 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 2qnj h TYR 361 CO -0.04 -0.32 0.29 -0.07 -1.64 0.00 0.00 178.16 176.38 2qnj h LEU 362 N -0.34 0.63 -0.05 2.82 3.38 -0.49 -0.44 115.31 120.82 2qnj h LEU 362 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qnj h LEU 362 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qnj h LEU 362 CO -0.26 0.51 -0.11 -0.11 0.09 0.00 0.00 178.44 178.56 2qnj n LEU 363 N -4.41 0.19 -0.81 1.67 7.94 -0.06 -3.75 117.00 117.77 2qnj n LEU 363 Ca 0.05 0.27 0.09 0.00 -1.11 0.00 0.00 56.01 55.30 2qnj n LEU 363 Cb 0.09 -0.35 0.26 0.00 0.53 0.00 0.00 43.42 43.96 2qnj n LEU 363 CO 0.37 0.04 0.71 0.18 -1.11 0.00 0.00 177.39 177.58 2qnj n LEU 364 N -1.34 2.38 0.00 -1.96 4.77 -0.17 -4.23 117.00 116.45 2qnj n LEU 364 Ca 0.10 -1.11 0.00 0.00 -0.03 0.00 0.00 56.01 54.97 2qnj n LEU 364 Cb 0.31 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2qnj n LEU 364 CO 0.27 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2qnj n GLY 365 N 1.25 -0.27 0.00 -0.72 0.00 -1.26 -5.02 105.19 99.17 2qnj n GLY 365 Ca 0.16 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2qnj n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qnj n ARG 366 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.01 116.66 115.00 2qnj n ARG 366 Ca 0.00 0.59 0.04 0.00 -0.01 0.00 0.00 57.85 58.47 2qnj n ARG 366 Cb 0.00 -1.03 0.04 0.00 0.00 0.00 0.00 32.46 31.47 2qnj n ARG 366 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26