#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qw4 s TYR 78 N 0.00 -0.09 -0.16 3.69 -0.85 -1.26 -4.84 117.35 113.84 1qw4 s TYR 78 Ca 0.00 -0.26 -0.01 0.00 -0.52 0.00 0.00 57.07 56.28 1qw4 s TYR 78 Cb 0.00 0.66 -0.01 0.00 0.38 0.00 0.00 41.96 42.99 1qw4 s TYR 78 CO 0.00 -0.89 -0.11 0.08 -1.52 0.00 0.00 175.55 173.11 1qw4 s VAL 79 N -3.09 3.10 0.22 -3.49 1.01 -0.87 -4.92 120.40 112.36 1qw4 s VAL 79 Ca 0.14 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1qw4 s VAL 79 Cb -0.02 -2.34 -0.08 0.00 0.00 0.00 0.00 36.38 33.94 1qw4 s VAL 79 CO 0.03 0.50 1.02 -0.60 0.00 0.00 0.00 175.10 176.05 1qw4 s ARG 80 N 0.74 4.72 -0.08 2.72 3.52 -1.26 -0.58 118.95 128.74 1qw4 s ARG 80 Ca -0.05 1.62 0.01 0.00 -0.13 0.00 0.00 55.73 57.18 1qw4 s ARG 80 Cb -0.15 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1qw4 s ARG 80 CO 0.02 0.30 -0.10 0.42 -0.81 0.00 0.00 175.30 175.12 1qw4 s ILE 81 N -0.79 1.04 0.06 4.11 -1.09 0.12 -4.94 121.20 119.70 1qw4 s ILE 81 Ca 0.45 -0.39 0.08 0.00 -2.23 0.00 0.00 60.65 58.56 1qw4 s ILE 81 Cb -0.28 -0.99 -0.03 0.00 -1.58 0.00 0.00 42.46 39.58 1qw4 s ILE 81 CO 0.35 0.34 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.46 1qw4 s LYS 82 N 0.97 1.97 -0.40 2.79 2.20 -1.26 -0.15 119.74 125.87 1qw4 s LYS 82 Ca -0.09 -1.04 -0.06 0.00 -0.36 0.00 0.00 55.97 54.42 1qw4 s LYS 82 Cb -0.15 -2.14 0.08 0.00 -1.51 0.00 0.00 37.83 34.12 1qw4 s LYS 82 CO 0.00 0.52 0.20 1.21 -0.36 0.00 0.00 175.35 176.92 1qw4 s ASN 83 N -1.56 5.38 0.00 1.43 3.04 -0.01 -1.69 114.94 121.54 1qw4 s ASN 83 Ca 0.15 -1.65 0.10 0.00 0.04 0.00 0.00 52.86 51.49 1qw4 s ASN 83 Cb -0.10 -1.88 0.47 0.00 -1.54 0.00 0.00 41.25 38.19 1qw4 s ASN 83 CO 0.06 -0.49 1.22 0.79 -3.04 0.00 0.00 177.10 175.63 1qw4 n TRP 84 N 4.75 0.00 0.03 0.43 7.02 0.00 0.10 117.44 129.78 1qw4 n TRP 84 Ca -0.08 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.19 1qw4 n TRP 84 Cb 0.42 -0.33 -0.14 0.00 -2.42 0.00 0.00 31.31 28.84 1qw4 n TRP 84 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 1qw4 h GLY 85 N 1.61 0.33 -0.06 6.99 0.00 -1.93 -3.38 103.07 106.63 1qw4 h GLY 85 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1qw4 h GLY 85 CO 0.00 0.73 -0.65 -1.14 0.00 0.00 0.00 176.54 175.48 1qw4 n SER 86 N -3.96 0.75 -1.46 0.19 3.41 -1.07 -4.98 113.62 106.50 1qw4 n SER 86 Ca -0.21 -0.88 -0.13 0.00 -0.26 0.00 0.00 58.87 57.39 1qw4 n SER 86 Cb 0.90 0.96 -0.01 0.00 -0.26 0.00 0.00 64.21 65.80 1qw4 n SER 86 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qw4 n GLY 87 N 1.32 -0.11 3.89 5.00 0.00 0.29 -5.00 105.19 110.57 1qw4 n GLY 87 Ca 0.03 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 1qw4 n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1qw4 s GLU 88 N -4.59 3.57 0.15 1.61 2.12 -1.12 -4.88 118.70 115.55 1qw4 s GLU 88 Ca 0.00 -0.10 0.09 0.00 0.36 0.00 0.00 54.97 55.32 1qw4 s GLU 88 Cb 0.00 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.28 1qw4 s GLU 88 CO 0.00 0.64 -0.17 0.42 -0.54 0.00 0.00 175.26 175.61 1qw4 s ILE 89 N -1.33 2.86 0.02 -3.70 1.09 -1.26 -0.83 121.20 118.06 1qw4 s ILE 89 Ca 0.28 -1.64 0.00 0.00 -1.10 0.00 0.00 60.65 58.20 1qw4 s ILE 89 Cb -0.13 -2.35 -0.02 0.00 -1.06 0.00 0.00 42.46 38.90 1qw4 s ILE 89 CO 0.17 0.00 -0.03 -0.76 -0.10 0.00 0.00 174.94 174.22 1qw4 s LEU 90 N -2.43 2.23 -0.28 2.97 1.43 0.79 -4.96 118.68 118.44 1qw4 s LEU 90 Ca 0.20 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 1qw4 s LEU 90 Cb -0.10 0.09 0.03 0.00 0.03 0.00 0.00 46.19 46.24 1qw4 s LEU 90 CO 0.11 -0.29 0.01 -1.00 0.23 0.00 0.00 176.35 175.41 1qw4 s HIS 91 N -1.42 3.14 -0.32 0.29 3.76 -1.26 0.10 115.29 119.59 1qw4 s HIS 91 Ca -0.15 -1.43 -0.22 0.00 -0.15 0.00 0.00 55.06 53.10 1qw4 s HIS 91 Cb -0.10 -2.15 -0.00 0.00 1.11 0.00 0.00 32.58 31.45 1qw4 s HIS 91 CO -0.01 -0.70 0.73 0.34 -0.85 0.00 0.00 174.74 174.25 1qw4 s ASP 92 N 1.37 6.58 -0.16 1.40 -1.08 0.26 -4.64 116.67 120.39 1qw4 s ASP 92 Ca -0.00 0.50 0.03 0.00 -0.52 0.00 0.00 52.55 52.56 1qw4 s ASP 92 Cb -0.18 -2.38 -0.12 0.00 -1.46 0.00 0.00 42.92 38.79 1qw4 s ASP 92 CO -0.01 -0.59 -0.10 0.35 0.52 0.00 0.00 175.17 175.33 1qw4 n THR 93 N 5.54 0.92 -0.45 1.71 -2.24 -0.21 -2.05 114.28 117.50 1qw4 n THR 93 Ca 0.02 -0.40 0.39 0.00 -2.27 0.00 0.00 64.05 61.79 1qw4 n THR 93 Cb 0.48 -0.99 0.72 0.00 -2.10 0.00 0.00 70.33 68.45 1qw4 n THR 93 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1qw4 h LEU 94 N 0.00 0.11 -2.75 3.22 5.85 -1.11 0.23 115.31 120.86 1qw4 h LEU 94 Ca -0.36 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1qw4 h LEU 94 Cb 1.61 0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.67 1qw4 h LEU 94 CO -0.04 -0.03 0.03 1.12 -0.34 0.00 0.00 178.44 179.19 1qw4 h HIS 95 N 0.07 0.00 -0.42 1.25 2.07 -1.82 0.40 115.15 116.69 1qw4 h HIS 95 Ca 0.72 0.00 0.05 0.00 -2.85 0.00 0.00 60.37 58.29 1qw4 h HIS 95 Cb 2.65 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 32.60 1qw4 h HIS 95 CO -0.00 0.00 0.28 0.45 -3.07 0.00 0.00 177.93 175.59 1qw4 h HIS 96 N 0.00 0.38 -0.03 6.12 3.86 -0.87 0.19 115.15 124.81 1qw4 h HIS 96 Ca 0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1qw4 h HIS 96 Cb 0.07 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1qw4 h HIS 96 CO 0.00 0.21 0.00 1.63 0.86 0.00 0.00 177.93 180.63 1qw4 n LYS 97 N -4.48 1.12 -1.70 2.45 5.02 0.13 -4.88 118.16 115.82 1qw4 n LYS 97 Ca 0.05 -0.18 -0.44 0.00 -2.02 0.00 0.00 58.31 55.72 1qw4 n LYS 97 Cb 0.21 -1.27 -0.03 0.00 -0.02 0.00 0.00 35.03 33.92 1qw4 n LYS 97 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qw4 n ALA 98 N -0.58 2.03 -1.00 7.82 0.00 0.67 -4.84 120.51 124.61 1qw4 n ALA 98 Ca 0.13 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1qw4 n ALA 98 Cb 0.10 -2.42 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1qw4 n ALA 98 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qw4 n THR 99 N 3.04 0.00 -1.14 0.00 -2.24 -0.56 -4.98 114.28 108.40 1qw4 n THR 99 Ca 0.14 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.69 1qw4 n THR 99 Cb 0.33 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.74 1qw4 n THR 99 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1qw4 n SER 100 N 0.00 -1.32 -4.76 3.42 2.88 -1.26 -4.99 113.62 107.59 1qw4 n SER 100 Ca 0.00 -1.11 -0.38 0.00 -1.33 0.00 0.00 58.87 56.04 1qw4 n SER 100 Cb 0.00 -0.78 0.02 0.00 -0.75 0.00 0.00 64.21 62.70 1qw4 n SER 100 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1qw4 s ASP 101 N -4.06 5.67 0.00 -3.46 1.01 -1.26 -4.88 116.67 109.69 1qw4 s ASP 101 Ca 0.56 2.61 0.00 0.00 0.71 0.00 0.00 52.55 56.43 1qw4 s ASP 101 Cb -0.04 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1qw4 s ASP 101 CO 0.42 -1.28 0.00 0.33 0.21 0.00 0.00 175.17 174.84 1qw4 n PHE 102 N -0.72 0.00 0.45 4.23 -0.00 -1.26 -4.89 117.46 115.26 1qw4 n PHE 102 Ca 0.09 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.66 1qw4 n PHE 102 Cb 0.46 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 40.14 1qw4 n PHE 102 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1qw4 n THR 103 N 0.00 0.42 -3.46 -2.13 -2.24 -1.26 -4.85 114.28 100.77 1qw4 n THR 103 Ca 0.00 -0.70 -0.38 0.00 -2.27 0.00 0.00 64.05 60.71 1qw4 n THR 103 Cb 0.00 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 1qw4 n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qw4 n LYS 105 N 4.43 -1.89 0.07 0.00 4.76 -1.12 -4.95 118.16 119.47 1qw4 n LYS 105 Ca -0.10 -0.13 -0.11 0.00 -2.87 0.00 0.00 58.31 55.10 1qw4 n LYS 105 Cb 0.51 -0.15 -0.13 0.00 -1.84 0.00 0.00 35.03 33.42 1qw4 n LYS 105 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1qw4 h SER 106 N -1.81 0.19 -0.00 4.39 4.64 -2.02 -3.37 113.55 115.57 1qw4 h SER 106 Ca -0.03 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1qw4 h SER 106 Cb 0.11 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1qw4 h SER 106 CO 0.02 1.16 -0.00 2.29 -0.87 0.00 0.00 176.83 179.44 1qw4 n LYS 107 N -3.42 4.68 -4.45 4.77 2.85 -1.26 -5.06 118.16 116.27 1qw4 n LYS 107 Ca -0.05 -0.15 -0.26 0.00 -1.05 0.00 0.00 58.31 56.80 1qw4 n LYS 107 Cb 0.98 -0.65 -0.10 0.00 -0.65 0.00 0.00 35.03 34.62 1qw4 n LYS 107 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1qw4 s SER 108 N -0.71 4.01 -0.10 -5.58 0.15 -1.26 -5.14 113.70 105.07 1qw4 s SER 108 Ca 0.00 -1.20 -0.03 0.00 0.70 0.00 0.00 55.95 55.42 1qw4 s SER 108 Cb 0.00 -0.43 0.04 0.00 -1.71 0.00 0.00 66.02 63.92 1qw4 s SER 108 CO 0.00 -0.37 0.06 0.00 1.20 0.00 0.00 173.24 174.14 1qw4 n LEU 110 N 5.26 4.66 0.00 0.00 -0.00 -1.26 -4.80 117.00 120.87 1qw4 n LEU 110 Ca -0.05 -5.40 0.15 0.00 -0.00 0.00 0.00 56.01 50.71 1qw4 n LEU 110 Cb 0.49 -0.51 0.72 0.00 -0.00 0.00 0.00 43.42 44.12 1qw4 n LEU 110 CO 0.08 2.28 1.00 0.61 -0.00 0.00 0.00 177.39 181.37 1qw4 n GLY 111 N -0.39 -1.35 1.30 1.47 0.00 -1.26 -3.06 105.19 101.90 1qw4 n GLY 111 Ca 0.36 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.37 1qw4 n GLY 111 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qw4 n SER 112 N -1.35 3.83 -4.72 1.61 3.41 -1.26 -4.91 113.62 110.23 1qw4 n SER 112 Ca 0.12 -2.00 -0.41 0.00 -0.26 0.00 0.00 58.87 56.32 1qw4 n SER 112 Cb 0.27 -0.43 -0.04 0.00 -0.26 0.00 0.00 64.21 63.75 1qw4 n SER 112 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1qw4 s ILE 113 N -1.12 4.44 -0.01 -1.33 -1.09 -1.17 -4.98 121.20 115.95 1qw4 s ILE 113 Ca 0.46 1.92 -0.22 0.00 -2.23 0.00 0.00 60.65 60.58 1qw4 s ILE 113 Cb 0.25 -4.23 -0.13 0.00 -1.58 0.00 0.00 42.46 36.77 1qw4 s ILE 113 CO 0.33 0.24 0.93 0.24 -1.23 0.00 0.00 174.94 175.45 1qw4 h MET 114 N 6.00 -0.70 -2.68 2.79 2.86 -1.92 -3.39 114.93 117.89 1qw4 h MET 114 Ca -0.42 0.05 -0.64 0.00 -2.06 0.00 0.00 59.70 56.63 1qw4 h MET 114 Cb 1.21 0.16 -0.40 0.00 0.06 0.00 0.00 31.60 32.63 1qw4 h MET 114 CO 0.74 -0.43 -0.40 0.09 1.06 0.00 0.00 176.91 177.96 1qw4 n ASN 115 N -5.26 3.83 -4.82 1.22 4.13 -1.26 -5.06 115.26 108.04 1qw4 n ASN 115 Ca -0.10 -3.33 -0.33 0.00 1.68 0.00 0.00 54.58 52.50 1qw4 n ASN 115 Cb 0.30 -0.80 -0.05 0.00 -1.54 0.00 0.00 39.78 37.70 1qw4 n ASN 115 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1qw4 s PRO 116 N -2.05 4.00 0.54 3.52 0.04 -1.26 -4.94 135.00 134.85 1qw4 s PRO 116 Ca 0.33 1.15 0.26 0.00 0.04 0.00 0.00 61.00 62.78 1qw4 s PRO 116 Cb 0.05 -2.14 1.43 0.00 0.04 0.00 0.00 34.50 33.88 1qw4 s PRO 116 CO -0.07 -0.23 2.00 0.87 0.04 0.00 0.00 177.00 179.61 1qw4 h LYS 117 N 1.51 0.00 0.00 4.56 1.57 -1.98 -0.05 116.57 122.18 1qw4 h LYS 117 Ca -0.48 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.29 1qw4 h LYS 117 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1qw4 h LYS 117 CO 0.60 0.00 -0.03 0.77 -0.57 0.00 0.00 179.45 180.22 1qw4 h SER 118 N 0.00 0.00 -0.02 0.86 0.02 -1.90 -2.20 113.55 110.31 1qw4 h SER 118 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1qw4 h SER 118 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 1qw4 h SER 118 CO -0.00 0.03 -0.31 0.18 -1.14 0.00 0.00 176.83 175.59 1qw4 n LEU 119 N -3.83 2.12 -4.75 5.07 7.99 -0.04 -4.96 117.00 118.60 1qw4 n LEU 119 Ca -0.03 -0.83 -0.35 0.00 -0.01 0.00 0.00 56.01 54.79 1qw4 n LEU 119 Cb 0.12 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 43.35 1qw4 n LEU 119 CO 0.28 0.39 -0.26 -0.89 -1.51 0.00 0.00 177.39 175.39 1qw4 s THR 120 N -2.12 4.68 -0.36 -5.08 2.01 -0.83 -0.91 115.64 113.03 1qw4 s THR 120 Ca 0.19 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 62.08 1qw4 s THR 120 Cb 0.17 -3.01 0.11 0.00 0.01 0.00 0.00 72.50 69.77 1qw4 s THR 120 CO 0.44 0.59 0.10 -0.60 -0.69 0.00 0.00 174.62 174.46 1qw4 s ARG 121 N -1.00 1.33 1.11 4.92 6.06 -0.02 -4.87 118.95 126.48 1qw4 s ARG 121 Ca 0.15 -1.76 -0.18 0.00 -2.50 0.00 0.00 55.73 51.43 1qw4 s ARG 121 Cb -0.12 -2.86 0.26 0.00 0.06 0.00 0.00 34.95 32.30 1qw4 s ARG 121 CO 0.04 -0.98 1.24 0.20 -2.50 0.00 0.00 175.30 173.29 1qw4 s GLY 122 N 0.92 1.71 1.20 8.12 0.00 -1.26 -4.54 107.32 113.47 1qw4 s GLY 122 Ca 0.12 -1.18 -0.16 0.00 0.00 0.00 0.00 44.72 43.49 1qw4 s GLY 122 CO -0.11 -0.31 0.63 -1.05 0.00 0.00 0.00 173.10 172.26 1qw4 n PRO 123 N -4.33 -2.61 -4.05 2.90 -0.02 -1.26 -5.02 135.00 120.61 1qw4 n PRO 123 Ca 0.16 -0.75 -0.08 0.00 -2.02 0.00 0.00 63.50 60.81 1qw4 n PRO 123 Cb 0.59 -1.94 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 1qw4 n PRO 123 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1qw4 s ARG 124 N -4.11 0.52 -0.10 -0.52 0.52 -1.26 -5.05 118.95 108.95 1qw4 s ARG 124 Ca 0.63 -1.02 0.12 0.00 -0.52 0.00 0.00 55.73 54.94 1qw4 s ARG 124 Cb -0.19 0.18 -0.17 0.00 0.52 0.00 0.00 34.95 35.29 1qw4 s ARG 124 CO 0.63 -0.10 0.12 -3.47 0.02 0.00 0.00 175.30 172.50 1qw4 n ASP 125 N 0.58 1.84 -3.70 0.23 2.03 -1.26 -4.44 116.55 111.83 1qw4 n ASP 125 Ca -0.17 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.03 1qw4 n ASP 125 Cb 0.59 1.05 -0.05 0.00 -0.72 0.00 0.00 41.12 41.99 1qw4 n ASP 125 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1qw4 s LYS 126 N -2.49 1.68 0.59 -0.67 -2.85 -0.92 -4.72 119.74 110.35 1qw4 s LYS 126 Ca -0.06 -1.46 -0.20 0.00 -1.00 0.00 0.00 55.97 53.25 1qw4 s LYS 126 Cb 0.05 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.24 1qw4 s LYS 126 CO 0.54 -0.70 1.24 -2.30 0.10 0.00 0.00 175.35 174.23 1qw4 n PRO 127 N -0.44 1.31 -2.12 1.78 -0.02 -1.26 -4.53 135.00 129.72 1qw4 n PRO 127 Ca -0.01 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1qw4 n PRO 127 Cb 0.62 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.62 1qw4 n PRO 127 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1qw4 s THR 128 N -1.37 3.54 -0.12 3.45 -1.32 -1.26 -4.91 115.64 113.65 1qw4 s THR 128 Ca 0.76 0.89 -0.41 0.00 -1.21 0.00 0.00 61.69 61.72 1qw4 s THR 128 Cb -0.41 -3.58 -0.19 0.00 -1.51 0.00 0.00 72.50 66.81 1qw4 s THR 128 CO 0.46 -0.02 1.28 -2.65 -2.21 0.00 0.00 174.62 171.48 1qw4 n PRO 129 N 5.75 0.25 -0.10 7.08 -0.02 -1.26 -4.68 135.00 142.02 1qw4 n PRO 129 Ca 0.14 0.09 0.18 0.00 -2.02 0.00 0.00 63.50 61.90 1qw4 n PRO 129 Cb 0.43 -1.63 0.59 0.00 -0.02 0.00 0.00 33.50 32.87 1qw4 n PRO 129 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1qw4 h LEU 130 N 4.00 0.22 -1.58 2.45 6.46 -1.90 -0.39 115.31 124.56 1qw4 h LEU 130 Ca -0.49 0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.35 1qw4 h LEU 130 Cb 1.39 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.26 1qw4 h LEU 130 CO 0.77 0.11 0.38 1.05 -0.62 0.00 0.00 178.44 180.13 1qw4 h GLU 131 N 0.23 0.49 0.01 1.25 9.09 -2.01 -1.16 114.58 122.49 1qw4 h GLU 131 Ca 0.33 -0.03 -0.36 0.00 0.05 0.00 0.00 59.36 59.35 1qw4 h GLU 131 Cb 0.96 -0.11 -0.06 0.00 -1.65 0.00 0.00 28.75 27.89 1qw4 h GLU 131 CO -0.07 0.33 -2.25 -0.85 0.05 0.00 0.00 179.01 176.21 1qw4 n GLU 132 N -4.47 0.68 0.02 1.06 0.28 -0.29 -4.49 120.64 113.42 1qw4 n GLU 132 Ca 0.08 0.12 -0.13 0.00 -0.16 0.00 0.00 57.16 57.07 1qw4 n GLU 132 Cb 0.26 -1.59 -0.09 0.00 1.43 0.00 0.00 31.44 31.46 1qw4 n GLU 132 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1qw4 h LEU 133 N 0.01 -0.03 -0.36 -1.84 5.85 -0.97 -3.18 115.31 114.78 1qw4 h LEU 133 Ca -0.50 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.02 1qw4 h LEU 133 Cb 2.09 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 43.05 1qw4 h LEU 133 CO 0.01 0.26 -0.16 0.25 -0.34 0.00 0.00 178.44 178.47 1qw4 h LEU 134 N -0.33 -0.53 -1.47 2.25 5.85 -1.46 0.75 115.31 120.37 1qw4 h LEU 134 Ca -0.00 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1qw4 h LEU 134 Cb 0.31 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 1qw4 h LEU 134 CO 0.01 -0.19 0.24 -0.65 -0.34 0.00 0.00 178.44 177.51 1qw4 h PRO 135 N -0.09 0.60 -0.12 5.25 0.11 -1.79 -1.51 132.00 134.45 1qw4 h PRO 135 Ca 0.18 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.19 1qw4 h PRO 135 Cb 0.37 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1qw4 h PRO 135 CO -0.42 0.44 -0.12 0.45 -0.21 0.00 0.00 178.00 178.14 1qw4 h HIS 136 N 0.61 0.36 -0.27 0.65 3.86 -1.29 -2.28 115.15 116.79 1qw4 h HIS 136 Ca 0.16 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1qw4 h HIS 136 Cb 0.02 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.37 1qw4 h HIS 136 CO 0.00 0.70 0.03 0.00 0.86 0.00 0.00 177.93 179.53 1qw4 h ALA 137 N 0.60 0.27 -0.81 2.45 0.00 -0.52 -1.76 119.26 119.49 1qw4 h ALA 137 Ca 0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1qw4 h ALA 137 Cb 0.64 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1qw4 h ALA 137 CO 0.03 -0.38 0.53 0.82 0.00 0.00 0.00 179.25 180.25 1qw4 h ILE 138 N 0.12 1.18 -0.55 0.00 2.04 -1.31 -1.85 117.51 117.14 1qw4 h ILE 138 Ca 0.13 -0.37 0.04 0.00 1.00 0.00 0.00 64.86 65.66 1qw4 h ILE 138 Cb 0.15 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.21 1qw4 h ILE 138 CO -0.19 0.20 0.31 -0.08 0.00 0.00 0.00 178.15 178.39 1qw4 h GLU 139 N 1.07 0.59 0.05 2.37 4.22 -0.78 -1.58 114.58 120.52 1qw4 h GLU 139 Ca 0.31 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.71 1qw4 h GLU 139 Cb -0.08 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.03 1qw4 h GLU 139 CO -0.08 0.39 -0.02 0.35 -2.18 0.00 0.00 179.01 177.47 1qw4 h PHE 140 N 0.61 -0.06 -0.96 0.92 3.57 -0.96 -0.60 116.94 119.46 1qw4 h PHE 140 Ca 0.23 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.87 1qw4 h PHE 140 Cb 0.08 0.02 -0.09 0.00 2.79 0.00 0.00 35.95 38.75 1qw4 h PHE 140 CO -0.08 0.18 0.58 0.82 -2.23 0.00 0.00 178.31 177.58 1qw4 h ILE 141 N -0.29 0.85 -0.51 1.41 1.08 -1.14 0.42 117.51 119.33 1qw4 h ILE 141 Ca -0.01 -0.30 -0.11 0.00 -0.39 0.00 0.00 64.86 64.05 1qw4 h ILE 141 Cb 0.26 -0.10 -0.02 0.00 -3.07 0.00 0.00 36.82 33.89 1qw4 h ILE 141 CO 0.01 0.16 -0.13 0.78 -0.69 0.00 0.00 178.15 178.28 1qw4 h ASN 142 N 0.87 0.97 -0.19 1.72 2.35 -1.13 -2.20 115.58 117.96 1qw4 h ASN 142 Ca 0.50 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1qw4 h ASN 142 Cb 0.58 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1qw4 h ASN 142 CO -0.30 1.09 0.11 -0.61 -1.65 0.00 0.00 177.43 176.07 1qw4 h GLN 143 N 0.86 0.27 0.40 0.81 4.15 1.00 -0.87 115.11 121.72 1qw4 h GLN 143 Ca 0.13 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 1qw4 h GLN 143 Cb 0.68 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 1qw4 h GLN 143 CO 0.05 0.26 -0.37 -0.92 -1.93 0.00 0.00 178.83 175.92 1qw4 h TYR 144 N 0.21 -1.00 0.00 3.99 3.20 -0.21 -2.20 116.97 120.96 1qw4 h TYR 144 Ca 0.07 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1qw4 h TYR 144 Cb 0.06 0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 1qw4 h TYR 144 CO -0.04 -0.52 -0.05 1.88 -1.64 0.00 0.00 178.16 177.79 1qw4 h TYR 145 N -0.78 0.00 0.00 -3.82 -1.99 -1.42 -2.25 116.97 106.71 1qw4 h TYR 145 Ca -0.03 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.63 1qw4 h TYR 145 Cb 0.69 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.41 1qw4 h TYR 145 CO -0.19 0.05 -0.33 0.78 -0.00 0.00 0.00 178.16 178.46 1qw4 h GLY 146 N 1.41 0.00 1.97 3.88 0.00 -0.53 -3.11 103.07 106.69 1qw4 h GLY 146 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 1qw4 h GLY 146 CO 0.01 0.00 -0.60 1.48 0.00 0.00 0.00 176.54 177.43 1qw4 h SER 147 N 0.00 0.03 -2.93 0.19 4.64 -1.06 -3.46 113.55 110.96 1qw4 h SER 147 Ca -0.00 -0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.71 1qw4 h SER 147 Cb 0.70 -0.01 0.12 0.00 -0.31 0.00 0.00 62.40 62.90 1qw4 h SER 147 CO 0.04 0.62 0.21 0.49 -0.87 0.00 0.00 176.83 177.32 1qw4 n PHE 148 N -3.84 1.37 -0.03 4.77 3.01 -1.18 -4.90 117.46 116.66 1qw4 n PHE 148 Ca -0.01 0.60 -0.14 0.00 1.01 0.00 0.00 57.45 58.90 1qw4 n PHE 148 Cb 0.60 -2.26 -0.11 0.00 -0.01 0.00 0.00 39.48 37.70 1qw4 n PHE 148 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1qw4 h LYS 149 N 1.83 0.09 -4.75 -1.08 3.11 -1.91 -3.40 116.57 110.46 1qw4 h LYS 149 Ca -0.43 -0.08 -0.68 0.00 -2.81 0.00 0.00 60.65 56.65 1qw4 h LYS 149 Cb 1.33 0.02 -0.22 0.00 -1.00 0.00 0.00 32.23 32.36 1qw4 h LYS 149 CO 0.59 0.78 -0.53 -1.83 -2.81 0.00 0.00 179.45 175.64 1qw4 s GLU 150 N -3.41 3.36 0.53 1.90 -1.05 -1.26 -5.07 118.70 113.70 1qw4 s GLU 150 Ca -0.16 -0.71 -0.21 0.00 -0.15 0.00 0.00 54.97 53.73 1qw4 s GLU 150 Cb 0.01 -3.64 -0.05 0.00 -0.44 0.00 0.00 34.13 30.00 1qw4 s GLU 150 CO 0.71 -0.43 1.23 0.00 0.95 0.00 0.00 175.26 177.72 1qw4 s ALA 151 N 1.64 2.77 -0.59 -0.84 0.00 -1.26 -5.01 121.76 118.47 1qw4 s ALA 151 Ca 0.05 1.07 0.06 0.00 0.00 0.00 0.00 51.96 53.14 1qw4 s ALA 151 Cb -0.17 -3.46 0.22 0.00 0.00 0.00 0.00 23.12 19.71 1qw4 s ALA 151 CO 0.07 -1.04 0.61 1.63 0.00 0.00 0.00 175.76 177.04 1qw4 n LYS 152 N -1.06 1.81 -0.02 0.00 5.02 -1.26 -4.97 118.16 117.68 1qw4 n LYS 152 Ca 0.11 -4.22 -0.09 0.00 -2.02 0.00 0.00 58.31 52.08 1qw4 n LYS 152 Cb 0.48 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 33.45 1qw4 n LYS 152 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1qw4 h ILE 153 N 3.37 0.39 0.07 -0.18 2.04 -1.97 0.42 117.51 121.64 1qw4 h ILE 153 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.03 1qw4 h ILE 153 Cb 0.75 0.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1qw4 h ILE 153 CO 0.70 0.00 -0.04 1.05 0.00 0.00 0.00 178.15 179.86 1qw4 h GLU 154 N -0.30 -0.10 -0.12 2.37 9.09 -1.98 0.82 114.58 124.36 1qw4 h GLU 154 Ca 0.11 0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.50 1qw4 h GLU 154 Cb 0.47 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 1qw4 h GLU 154 CO -0.35 -0.06 -0.08 1.49 0.05 0.00 0.00 179.01 180.06 1qw4 h GLU 155 N -0.10 0.17 0.36 1.06 4.81 -1.94 0.13 114.58 119.07 1qw4 h GLU 155 Ca -0.01 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1qw4 h GLU 155 Cb 0.08 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.44 1qw4 h GLU 155 CO 0.01 0.27 -0.17 1.25 -0.73 0.00 0.00 179.01 179.63 1qw4 h HIS 156 N 0.17 -0.45 -0.51 0.92 2.76 0.77 -2.14 115.15 116.66 1qw4 h HIS 156 Ca 0.04 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1qw4 h HIS 156 Cb 0.26 0.15 -0.05 0.00 1.55 0.00 0.00 27.41 29.31 1qw4 h HIS 156 CO 0.00 -0.12 0.23 -0.07 -1.30 0.00 0.00 177.93 176.67 1qw4 h LEU 157 N -0.85 0.30 -0.21 0.26 3.38 0.99 -1.47 115.31 117.71 1qw4 h LEU 157 Ca -0.05 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1qw4 h LEU 157 Cb 0.53 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1qw4 h LEU 157 CO 0.08 0.20 -0.20 0.00 0.09 0.00 0.00 178.44 178.61 1qw4 h ALA 158 N 1.31 -0.09 -0.71 1.53 0.00 -0.75 -0.38 119.26 120.17 1qw4 h ALA 158 Ca 0.24 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1qw4 h ALA 158 Cb 0.20 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1qw4 h ALA 158 CO -0.20 -0.64 0.44 -0.09 0.00 0.00 0.00 179.25 178.77 1qw4 h ARG 159 N -0.22 0.83 -0.14 0.00 9.65 -0.96 0.32 114.38 123.86 1qw4 h ARG 159 Ca 0.13 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1qw4 h ARG 159 Cb 0.41 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1qw4 h ARG 159 CO -0.34 0.55 -0.04 -0.07 2.80 0.00 0.00 179.97 182.88 1qw4 h LEU 160 N 0.86 -0.14 -0.70 3.80 3.38 -0.49 0.32 115.31 122.34 1qw4 h LEU 160 Ca 0.28 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1qw4 h LEU 160 Cb 0.03 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1qw4 h LEU 160 CO -0.11 -0.05 0.40 -0.08 0.09 0.00 0.00 178.44 178.69 1qw4 h GLU 161 N -0.01 0.96 -0.12 1.13 4.81 -0.67 -1.59 114.58 119.08 1qw4 h GLU 161 Ca 0.07 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1qw4 h GLU 161 Cb 0.11 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1qw4 h GLU 161 CO -0.14 0.70 0.02 0.00 -0.73 0.00 0.00 179.01 178.86 1qw4 h ALA 162 N 1.20 0.16 -0.87 2.92 0.00 -0.41 -1.40 119.26 120.87 1qw4 h ALA 162 Ca 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1qw4 h ALA 162 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1qw4 h ALA 162 CO -0.04 -0.18 0.51 0.28 0.00 0.00 0.00 179.25 179.82 1qw4 h VAL 163 N -0.03 1.24 -0.00 0.00 2.07 -0.26 0.14 116.25 119.41 1qw4 h VAL 163 Ca 0.04 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1qw4 h VAL 163 Cb 0.30 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1qw4 h VAL 163 CO 0.00 0.26 0.00 0.74 0.02 0.00 0.00 177.57 178.60 1qw4 h THR 164 N 1.20 1.06 -0.73 2.57 2.02 -1.21 -0.92 112.91 116.90 1qw4 h THR 164 Ca 0.31 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1qw4 h THR 164 Cb -0.02 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1qw4 h THR 164 CO -0.06 0.04 0.30 0.11 0.37 0.00 0.00 175.52 176.29 1qw4 h LYS 165 N -0.06 1.08 -0.28 6.66 1.57 -0.93 -0.62 116.57 123.98 1qw4 h LYS 165 Ca 0.00 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1qw4 h LYS 165 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1qw4 h LYS 165 CO -0.00 0.88 0.11 1.49 -0.57 0.00 0.00 179.45 181.36 1qw4 h GLU 166 N 1.04 0.43 -0.32 3.15 4.81 -0.50 -0.95 114.58 122.23 1qw4 h GLU 166 Ca 0.24 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1qw4 h GLU 166 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1qw4 h GLU 166 CO -0.02 0.46 0.10 0.82 -0.73 0.00 0.00 179.01 179.64 1qw4 h ILE 167 N 0.30 1.20 -0.47 2.32 2.04 -1.06 0.58 117.51 122.42 1qw4 h ILE 167 Ca 0.09 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.31 1qw4 h ILE 167 Cb 0.20 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1qw4 h ILE 167 CO -0.01 0.22 0.31 -0.33 0.00 0.00 0.00 178.15 178.35 1qw4 h GLU 168 N 0.37 0.61 0.00 2.37 5.08 -0.98 0.84 114.58 122.87 1qw4 h GLU 168 Ca 0.10 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.21 1qw4 h GLU 168 Cb 0.24 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1qw4 h GLU 168 CO -0.00 0.41 -1.98 0.25 -1.00 0.00 0.00 179.01 176.68 1qw4 n THR 169 N -4.47 0.98 -0.07 1.13 -2.24 -0.37 -4.59 114.28 104.65 1qw4 n THR 169 Ca 0.04 -0.72 -0.06 0.00 -2.27 0.00 0.00 64.05 61.04 1qw4 n THR 169 Cb 0.06 -0.44 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 1qw4 n THR 169 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1qw4 n THR 170 N -2.67 0.93 -0.32 4.28 -1.04 0.20 -5.00 114.28 110.67 1qw4 n THR 170 Ca -0.18 -0.59 0.00 0.00 -2.04 0.00 0.00 64.05 61.24 1qw4 n THR 170 Cb 0.91 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.83 1qw4 n THR 170 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qw4 n GLY 171 N 2.11 0.74 1.90 3.41 0.00 0.29 -4.99 105.19 108.65 1qw4 n GLY 171 Ca -0.22 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.79 1qw4 n GLY 171 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1qw4 n THR 172 N -2.15 0.00 -3.83 2.61 5.66 -1.24 -4.85 114.28 110.48 1qw4 n THR 172 Ca 0.00 -0.25 -0.07 0.00 -3.05 0.00 0.00 64.05 60.68 1qw4 n THR 172 Cb 0.00 0.37 -0.02 0.00 -1.55 0.00 0.00 70.33 69.13 1qw4 n THR 172 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1qw4 s TYR 173 N -3.88 -0.20 0.02 1.09 1.13 -1.26 -3.07 117.35 111.18 1qw4 s TYR 173 Ca 0.12 -0.23 0.05 0.00 -1.41 0.00 0.00 57.07 55.60 1qw4 s TYR 173 Cb -0.01 0.69 -0.03 0.00 -1.10 0.00 0.00 41.96 41.51 1qw4 s TYR 173 CO 0.02 -1.17 -0.12 -0.65 -2.51 0.00 0.00 175.55 171.12 1qw4 s GLN 174 N -3.84 2.32 0.33 -3.49 -1.52 -1.26 -5.07 119.66 107.12 1qw4 s GLN 174 Ca 0.11 -0.85 -0.07 0.00 -1.95 0.00 0.00 55.36 52.59 1qw4 s GLN 174 Cb -0.05 -2.35 -0.06 0.00 -0.22 0.00 0.00 33.01 30.33 1qw4 s GLN 174 CO 0.06 0.57 0.63 -0.51 -0.25 0.00 0.00 175.29 175.78 1qw4 s LEU 175 N -1.46 3.99 0.65 2.90 1.43 -1.26 -5.08 118.68 119.85 1qw4 s LEU 175 Ca 0.16 0.88 -0.09 0.00 -1.03 0.00 0.00 54.13 54.05 1qw4 s LEU 175 Cb -0.11 -3.71 0.01 0.00 0.03 0.00 0.00 46.19 42.41 1qw4 s LEU 175 CO 0.07 -0.26 1.01 0.42 0.23 0.00 0.00 176.35 177.82 1qw4 s THR 176 N -2.17 3.65 0.20 5.49 -4.23 -1.26 -4.88 115.64 112.45 1qw4 s THR 176 Ca 0.47 0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 61.19 1qw4 s THR 176 Cb -0.11 -3.50 0.15 0.00 1.34 0.00 0.00 72.50 70.38 1qw4 s THR 176 CO 0.30 -0.60 1.82 0.25 -0.54 0.00 0.00 174.62 175.84 1qw4 h LEU 177 N -0.43 0.95 -1.44 4.79 5.85 -1.99 -1.52 115.31 121.52 1qw4 h LEU 177 Ca -0.45 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.12 1qw4 h LEU 177 Cb 1.25 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1qw4 h LEU 177 CO 0.62 0.79 -0.11 0.44 -0.34 0.00 0.00 178.44 179.85 1qw4 h ASP 178 N 1.04 0.22 -0.26 1.25 5.19 -1.99 -1.36 116.42 120.51 1qw4 h ASP 178 Ca 0.26 -0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.45 1qw4 h ASP 178 Cb 0.06 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1qw4 h ASP 178 CO -0.04 0.36 -0.56 -0.33 -3.12 0.00 0.00 179.24 175.54 1qw4 h GLU 179 N 0.23 0.84 -0.21 3.56 5.08 -1.79 -2.35 114.58 119.93 1qw4 h GLU 179 Ca 0.05 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 1qw4 h GLU 179 Cb 0.33 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1qw4 h GLU 179 CO 0.02 1.19 0.10 1.25 -1.00 0.00 0.00 179.01 180.57 1qw4 h LEU 180 N 0.61 0.28 -0.83 1.33 5.85 -0.78 0.25 115.31 122.02 1qw4 h LEU 180 Ca 0.00 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1qw4 h LEU 180 Cb 1.18 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1qw4 h LEU 180 CO 0.12 0.32 0.54 0.40 -0.34 0.00 0.00 178.44 179.49 1qw4 h ILE 181 N 0.22 1.19 -0.51 4.05 2.04 -1.31 0.65 117.51 123.84 1qw4 h ILE 181 Ca 0.07 -0.38 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1qw4 h ILE 181 Cb 0.12 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1qw4 h ILE 181 CO -0.01 0.20 0.14 0.15 0.00 0.00 0.00 178.15 178.63 1qw4 h PHE 182 N 1.10 0.85 -0.56 1.37 3.57 -1.14 -2.90 116.94 119.23 1qw4 h PHE 182 Ca 0.31 -0.10 -0.09 0.00 3.53 0.00 0.00 57.97 61.63 1qw4 h PHE 182 Cb -0.08 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 1qw4 h PHE 182 CO -0.02 0.75 -0.01 0.00 -2.23 0.00 0.00 178.31 176.80 1qw4 h ALA 183 N 1.00 0.94 -0.14 2.41 0.00 -0.28 -1.06 119.26 122.12 1qw4 h ALA 183 Ca 0.16 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1qw4 h ALA 183 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1qw4 h ALA 183 CO -0.00 0.64 -0.32 1.79 0.00 0.00 0.00 179.25 181.36 1qw4 h THR 184 N 0.88 1.27 0.13 0.00 1.35 -0.80 -0.31 112.91 115.44 1qw4 h THR 184 Ca 0.16 -1.31 -0.28 0.00 -0.55 0.00 0.00 66.41 64.43 1qw4 h THR 184 Cb 0.53 1.52 0.01 0.00 -1.73 0.00 0.00 68.15 68.48 1qw4 h THR 184 CO 0.03 0.40 -1.27 0.11 -0.25 0.00 0.00 175.52 174.53 1qw4 h LYS 185 N 0.24 0.28 -0.28 4.72 1.57 -1.41 -2.96 116.57 118.73 1qw4 h LYS 185 Ca 0.03 -0.49 -0.15 0.00 -1.87 0.00 0.00 60.65 58.17 1qw4 h LYS 185 Cb 0.69 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1qw4 h LYS 185 CO 0.05 1.23 -0.44 0.52 -0.57 0.00 0.00 179.45 180.24 1qw4 h MET 186 N 0.08 0.70 0.00 3.15 2.86 -1.05 0.10 114.93 120.77 1qw4 h MET 186 Ca -0.15 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.05 1qw4 h MET 186 Cb 1.99 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 33.66 1qw4 h MET 186 CO 0.21 1.00 -0.30 0.00 1.06 0.00 0.00 176.91 178.87 1qw4 h ALA 187 N 0.95 1.49 0.02 6.32 0.00 -1.12 0.58 119.26 127.50 1qw4 h ALA 187 Ca 0.04 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1qw4 h ALA 187 Cb 0.98 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1qw4 h ALA 187 CO 0.09 0.38 -0.51 2.35 0.00 0.00 0.00 179.25 181.56 1qw4 h TRP 188 N 0.00 0.47 -0.19 0.00 7.01 -1.30 -2.90 115.95 119.03 1qw4 h TRP 188 Ca -0.00 -0.27 0.04 0.00 2.11 0.00 0.00 58.89 60.77 1qw4 h TRP 188 Cb 0.54 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1qw4 h TRP 188 CO 0.00 1.11 0.13 -0.09 -2.79 0.00 0.00 178.44 176.80 1qw4 h ARG 189 N -0.30 0.07 -0.56 2.65 2.43 -0.43 -1.18 114.38 117.06 1qw4 h ARG 189 Ca -0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1qw4 h ARG 189 Cb 1.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1qw4 h ARG 189 CO 0.10 0.04 0.00 0.09 -1.51 0.00 0.00 179.97 178.69 1qw4 n ASN 190 N -4.49 3.08 -4.48 -3.80 3.02 0.16 -4.83 115.26 103.92 1qw4 n ASN 190 Ca 0.01 -2.11 -0.43 0.00 -0.03 0.00 0.00 54.58 52.03 1qw4 n ASN 190 Cb 0.23 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.96 1qw4 n ASN 190 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qw4 s ALA 191 N -1.45 3.04 0.59 5.41 0.00 -0.45 -4.72 121.76 124.19 1qw4 s ALA 191 Ca 0.36 -1.82 0.30 0.00 0.00 0.00 0.00 51.96 50.80 1qw4 s ALA 191 Cb 0.20 -3.97 1.80 0.00 0.00 0.00 0.00 23.12 21.15 1qw4 s ALA 191 CO 0.22 -2.92 2.22 -1.00 0.00 0.00 0.00 175.76 174.28 1qw4 h PRO 192 N 9.62 0.00 -0.34 0.00 0.13 -1.88 -2.67 132.00 136.86 1qw4 h PRO 192 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1qw4 h PRO 192 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1qw4 h PRO 192 CO 1.21 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.52 1qw4 n ARG 193 N -3.81 2.00 -3.56 0.86 1.74 -1.26 -1.16 116.66 111.46 1qw4 n ARG 193 Ca -0.02 -1.53 -0.40 0.00 -0.77 0.00 0.00 57.85 55.13 1qw4 n ARG 193 Cb 0.14 -1.39 -0.11 0.00 -1.02 0.00 0.00 32.46 30.08 1qw4 n ARG 193 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qw4 h ILE 195 N 5.50 0.70 -0.32 0.00 6.09 -1.89 -3.31 117.51 124.27 1qw4 h ILE 195 Ca -0.32 -1.69 0.00 0.00 -1.37 0.00 0.00 64.86 61.48 1qw4 h ILE 195 Cb 1.16 2.12 0.00 0.00 0.47 0.00 0.00 36.82 40.57 1qw4 h ILE 195 CO 0.62 0.35 0.00 0.61 -3.07 0.00 0.00 178.15 176.66 1qw4 n GLY 196 N 0.76 1.69 0.00 8.18 0.00 -1.26 -4.34 105.19 110.21 1qw4 n GLY 196 Ca 0.01 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1qw4 n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qw4 n ARG 197 N 0.42 0.01 0.06 1.61 1.74 -1.25 -2.42 116.66 116.84 1qw4 n ARG 197 Ca 0.13 0.17 0.10 0.00 -0.77 0.00 0.00 57.85 57.49 1qw4 n ARG 197 Cb 0.57 -1.50 0.42 0.00 -1.02 0.00 0.00 32.46 30.94 1qw4 n ARG 197 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1qw4 n ILE 198 N -1.18 0.81 0.66 0.55 3.06 -1.26 -1.69 119.36 120.32 1qw4 n ILE 198 Ca 0.00 0.17 0.12 0.00 -2.50 0.00 0.00 62.75 60.54 1qw4 n ILE 198 Cb 0.00 -0.99 0.23 0.00 0.54 0.00 0.00 39.64 39.42 1qw4 n ILE 198 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1qw4 n GLN 199 N -1.88 2.32 -0.42 9.51 1.13 -1.02 -4.66 117.38 122.36 1qw4 n GLN 199 Ca 0.03 -1.97 0.36 0.00 -1.94 0.00 0.00 57.00 53.48 1qw4 n GLN 199 Cb 0.23 -1.48 0.68 0.00 0.11 0.00 0.00 30.24 29.78 1qw4 n GLN 199 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1qw4 h TRP 200 N 4.11 0.30 -0.01 1.08 5.08 -1.53 0.17 115.95 125.15 1qw4 h TRP 200 Ca 0.00 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.98 1qw4 h TRP 200 Cb 0.90 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.98 1qw4 h TRP 200 CO 0.16 -0.04 -0.04 -1.13 -1.28 0.00 0.00 178.44 176.10 1qw4 n SER 201 N -4.38 0.95 -4.10 0.11 3.41 -1.26 -4.41 113.62 103.94 1qw4 n SER 201 Ca 0.32 -1.18 -0.36 0.00 -0.26 0.00 0.00 58.87 57.39 1qw4 n SER 201 Cb 1.34 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 65.23 1qw4 n SER 201 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1qw4 s ASN 202 N -2.13 5.93 -0.04 4.04 0.02 0.61 -5.01 114.94 118.37 1qw4 s ASN 202 Ca 0.37 -3.70 0.00 0.00 -1.02 0.00 0.00 52.86 48.52 1qw4 s ASN 202 Cb 0.21 -1.90 0.02 0.00 0.02 0.00 0.00 41.25 39.61 1qw4 s ASN 202 CO 0.38 -0.19 -0.02 -0.22 0.02 0.00 0.00 177.10 177.08 1qw4 s LEU 203 N -1.31 1.18 -0.19 0.60 2.96 -1.26 -4.63 118.68 116.03 1qw4 s LEU 203 Ca 0.27 -0.07 -0.22 0.00 -0.22 0.00 0.00 54.13 53.89 1qw4 s LEU 203 Cb -0.08 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.26 1qw4 s LEU 203 CO -0.12 -0.09 0.68 -1.58 -1.32 0.00 0.00 176.35 173.92 1qw4 s GLN 204 N 1.06 4.24 -0.19 1.98 2.00 -0.68 -4.97 119.66 123.10 1qw4 s GLN 204 Ca -0.09 0.72 -0.06 0.00 -2.00 0.00 0.00 55.36 53.93 1qw4 s GLN 204 Cb -0.14 -3.57 -0.03 0.00 0.80 0.00 0.00 33.01 30.06 1qw4 s GLN 204 CO -0.01 -0.26 0.04 0.08 -0.50 0.00 0.00 175.29 174.64 1qw4 s VAL 205 N 1.96 4.45 -0.28 1.34 1.01 -1.26 -0.06 120.40 127.55 1qw4 s VAL 205 Ca 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1qw4 s VAL 205 Cb -0.16 -3.01 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1qw4 s VAL 205 CO 0.11 0.44 0.02 -0.36 0.00 0.00 0.00 175.10 175.31 1qw4 s PHE 206 N 0.65 3.14 -0.97 5.22 0.08 0.12 -4.95 117.98 121.26 1qw4 s PHE 206 Ca 0.02 -1.33 -0.21 0.00 0.12 0.00 0.00 56.93 55.52 1qw4 s PHE 206 Cb -0.13 -2.17 0.08 0.00 -0.57 0.00 0.00 43.02 40.23 1qw4 s PHE 206 CO 0.02 -0.67 1.31 0.34 -0.10 0.00 0.00 175.22 176.11 1qw4 s ASP 207 N 1.40 6.54 -0.42 1.36 -1.08 -1.26 -0.94 116.67 122.28 1qw4 s ASP 207 Ca 0.00 -1.67 0.05 0.00 -0.52 0.00 0.00 52.55 50.41 1qw4 s ASP 207 Cb -0.18 -2.50 0.68 0.00 -1.46 0.00 0.00 42.92 39.47 1qw4 s ASP 207 CO -0.00 -1.33 1.89 0.00 0.52 0.00 0.00 175.17 176.24 1qw4 n ALA 208 N 7.92 5.35 0.28 3.66 0.00 0.71 -4.53 120.51 133.89 1qw4 n ALA 208 Ca 0.28 -2.78 0.08 0.00 0.00 0.00 0.00 53.44 51.02 1qw4 n ALA 208 Cb 0.50 -1.39 0.37 0.00 0.00 0.00 0.00 19.45 18.94 1qw4 n ALA 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qw4 n ARG 209 N -0.93 0.09 0.10 0.00 1.74 -0.79 -1.70 116.66 115.19 1qw4 n ARG 209 Ca 0.55 0.45 0.06 0.00 -0.77 0.00 0.00 57.85 58.15 1qw4 n ARG 209 Cb 1.60 -1.73 -0.00 0.00 -1.02 0.00 0.00 32.46 31.31 1qw4 n ARG 209 CO 0.00 0.00 0.00 -2.95 -1.52 0.00 0.00 177.63 173.16 1qw4 h ASN 210 N 0.00 0.00 -2.49 0.55 7.08 -1.88 -3.37 115.58 115.47 1qw4 h ASN 210 Ca 0.00 0.00 -0.57 0.00 -3.08 0.00 0.00 56.30 52.65 1qw4 h ASN 210 Cb 0.17 0.00 0.20 0.00 -2.08 0.00 0.00 38.32 36.61 1qw4 h ASN 210 CO 0.00 0.27 -1.04 0.00 -2.08 0.00 0.00 177.43 174.58 1qw4 n SER 212 N 1.61 0.00 -4.27 0.00 3.41 -1.26 -4.80 113.62 108.31 1qw4 n SER 212 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.52 1qw4 n SER 212 Cb 0.51 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 1qw4 n SER 212 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qw4 s THR 213 N 0.00 1.27 0.17 6.66 -4.23 -1.26 -4.63 115.64 113.62 1qw4 s THR 213 Ca 0.00 -2.09 -0.13 0.00 -1.18 0.00 0.00 61.69 58.29 1qw4 s THR 213 Cb 0.00 -1.91 0.07 0.00 1.34 0.00 0.00 72.50 72.00 1qw4 s THR 213 CO 0.00 -0.69 1.78 0.00 -0.54 0.00 0.00 174.62 175.17 1qw4 h ALA 214 N 2.72 0.73 -0.76 3.99 0.00 -1.91 -1.97 119.26 122.06 1qw4 h ALA 214 Ca -0.37 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1qw4 h ALA 214 Cb 1.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1qw4 h ALA 214 CO 0.63 0.25 0.50 0.37 0.00 0.00 0.00 179.25 181.00 1qw4 h GLN 215 N 0.77 0.89 -0.10 0.00 5.75 -1.97 0.07 115.11 120.51 1qw4 h GLN 215 Ca 0.20 -0.05 -0.12 0.00 -0.15 0.00 0.00 58.65 58.52 1qw4 h GLN 215 Cb 0.05 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1qw4 h GLN 215 CO -0.03 0.59 -0.48 0.93 -2.65 0.00 0.00 178.83 177.18 1qw4 h GLU 216 N 0.91 0.25 0.15 1.69 5.08 -1.84 -1.57 114.58 119.25 1qw4 h GLU 216 Ca 0.30 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1qw4 h GLU 216 Cb 0.07 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1qw4 h GLU 216 CO -0.09 0.68 -0.07 0.52 -1.00 0.00 0.00 179.01 179.05 1qw4 h MET 217 N 0.20 -0.20 -0.99 2.33 2.86 -0.55 -1.50 114.93 117.07 1qw4 h MET 217 Ca 0.01 0.01 0.21 0.00 -2.06 0.00 0.00 59.70 57.88 1qw4 h MET 217 Cb 0.93 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 32.54 1qw4 h MET 217 CO 0.08 0.19 0.62 0.35 1.06 0.00 0.00 176.91 179.20 1qw4 h PHE 218 N -0.65 0.89 -0.37 -0.22 3.57 -0.95 0.54 116.94 119.76 1qw4 h PHE 218 Ca -0.02 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1qw4 h PHE 218 Cb 0.48 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1qw4 h PHE 218 CO 0.06 0.17 -0.36 1.96 -2.23 0.00 0.00 178.31 177.91 1qw4 h GLN 219 N 0.61 0.85 -0.42 1.11 4.20 -1.18 -1.86 115.11 118.43 1qw4 h GLN 219 Ca 0.57 -0.43 -0.14 0.00 0.06 0.00 0.00 58.65 58.71 1qw4 h GLN 219 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 1qw4 h GLN 219 CO -0.34 1.07 -0.27 0.45 -0.67 0.00 0.00 178.83 179.08 1qw4 h HIS 220 N 0.71 1.07 -0.39 2.96 3.86 0.80 -2.32 115.15 121.84 1qw4 h HIS 220 Ca 0.07 -0.29 -0.10 0.00 -1.16 0.00 0.00 60.37 58.89 1qw4 h HIS 220 Cb 0.93 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1qw4 h HIS 220 CO 0.05 1.09 -0.16 0.82 0.86 0.00 0.00 177.93 180.59 1qw4 h ILE 221 N 0.74 1.26 -0.49 2.45 2.04 -0.13 -2.13 117.51 121.25 1qw4 h ILE 221 Ca 0.08 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 1qw4 h ILE 221 Cb 0.85 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1qw4 h ILE 221 CO 0.07 0.41 0.03 0.00 0.00 0.00 0.00 178.15 178.67 1qw4 h ARG 223 N 0.71 0.91 0.65 0.00 2.43 -1.24 -1.14 114.38 116.70 1qw4 h ARG 223 Ca 0.14 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1qw4 h ARG 223 Cb 0.47 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1qw4 h ARG 223 CO 0.02 0.70 -0.31 1.25 -1.51 0.00 0.00 179.97 180.11 1qw4 h HIS 224 N 0.91 -0.81 -0.90 2.20 2.76 -0.95 0.76 115.15 119.12 1qw4 h HIS 224 Ca 0.23 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.53 1qw4 h HIS 224 Cb 0.08 0.27 -0.10 0.00 1.55 0.00 0.00 27.41 29.21 1qw4 h HIS 224 CO 0.01 -0.46 0.49 0.82 -1.30 0.00 0.00 177.93 177.49 1qw4 h ILE 225 N -1.10 0.74 -0.30 6.26 2.04 -0.94 0.40 117.51 124.61 1qw4 h ILE 225 Ca -0.09 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1qw4 h ILE 225 Cb 0.71 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1qw4 h ILE 225 CO 0.15 0.12 -0.06 0.25 0.00 0.00 0.00 178.15 178.61 1qw4 h LEU 226 N 0.68 0.57 -0.19 1.44 5.85 -1.14 -0.05 115.31 122.48 1qw4 h LEU 226 Ca 0.49 -0.36 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1qw4 h LEU 226 Cb 0.70 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1qw4 h LEU 226 CO -0.36 0.80 -0.03 0.22 -0.34 0.00 0.00 178.44 178.72 1qw4 h TYR 227 N 0.34 0.39 -0.42 1.25 5.03 0.40 -2.81 116.97 121.15 1qw4 h TYR 227 Ca 0.08 -0.08 -0.04 0.00 2.58 0.00 0.00 58.73 61.26 1qw4 h TYR 227 Cb 0.54 -0.10 -0.02 0.00 1.55 0.00 0.00 36.73 38.71 1qw4 h TYR 227 CO 0.05 0.60 0.10 0.00 -1.32 0.00 0.00 178.16 177.58 1qw4 h ALA 228 N 0.74 0.56 -0.36 1.82 0.00 -0.28 -3.20 119.26 118.54 1qw4 h ALA 228 Ca 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1qw4 h ALA 228 Cb 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1qw4 h ALA 228 CO 0.02 0.25 0.07 1.15 0.00 0.00 0.00 179.25 180.73 1qw4 h THR 229 N 0.55 1.23 -6.90 0.00 2.02 -1.06 -0.25 112.91 108.50 1qw4 h THR 229 Ca 0.13 -0.81 -0.58 0.00 0.77 0.00 0.00 66.41 65.92 1qw4 h THR 229 Cb 0.33 1.07 -0.25 0.00 -1.74 0.00 0.00 68.15 67.56 1qw4 h THR 229 CO 0.00 0.27 -0.87 -3.20 0.37 0.00 0.00 175.52 172.09 1qw4 n ASN 230 N -4.58 -2.26 -3.03 4.18 5.15 -1.06 -0.96 115.26 112.69 1qw4 n ASN 230 Ca -0.01 -1.11 -0.21 0.00 -0.60 0.00 0.00 54.58 52.65 1qw4 n ASN 230 Cb 0.22 -2.32 0.06 0.00 -0.53 0.00 0.00 39.78 37.21 1qw4 n ASN 230 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qw4 n ASN 231 N -2.64 -5.76 0.00 1.20 4.05 -1.26 -2.68 115.26 108.16 1qw4 n ASN 231 Ca 0.03 -0.40 0.00 0.00 0.45 0.00 0.00 54.58 54.66 1qw4 n ASN 231 Cb 0.51 -4.44 0.00 0.00 1.23 0.00 0.00 39.78 37.08 1qw4 n ASN 231 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qw4 n GLY 232 N -1.70 3.12 3.17 8.20 0.00 -0.14 -4.92 105.19 112.92 1qw4 n GLY 232 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 1qw4 n GLY 232 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1qw4 n ASN 233 N 0.08 5.28 -4.60 1.61 5.15 -1.09 -0.65 115.26 121.03 1qw4 n ASN 233 Ca 0.00 -3.07 -0.48 0.00 -0.60 0.00 0.00 54.58 50.43 1qw4 n ASN 233 Cb 0.00 -1.50 -0.04 0.00 -0.53 0.00 0.00 39.78 37.72 1qw4 n ASN 233 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1qw4 n ILE 234 N 3.69 0.82 -5.15 -1.44 2.08 -1.24 -4.55 119.36 113.57 1qw4 n ILE 234 Ca 0.36 -0.21 -0.30 0.00 0.56 0.00 0.00 62.75 63.17 1qw4 n ILE 234 Cb 0.39 -1.01 -0.16 0.00 -0.75 0.00 0.00 39.64 38.10 1qw4 n ILE 234 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1qw4 s ARG 235 N -0.29 2.44 0.16 0.38 0.52 -0.10 -4.96 118.95 117.10 1qw4 s ARG 235 Ca 0.73 -0.82 -0.30 0.00 -0.52 0.00 0.00 55.73 54.81 1qw4 s ARG 235 Cb -0.80 -2.03 -0.07 0.00 0.52 0.00 0.00 34.95 32.56 1qw4 s ARG 235 CO 0.51 0.31 1.15 -1.12 0.02 0.00 0.00 175.30 176.16 1qw4 s SER 236 N -0.02 7.18 0.20 0.23 0.01 -1.26 -4.49 113.70 115.55 1qw4 s SER 236 Ca -0.06 2.13 -0.16 0.00 1.31 0.00 0.00 55.95 59.16 1qw4 s SER 236 Cb -0.14 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.51 1qw4 s SER 236 CO 0.04 -0.31 0.49 0.00 0.41 0.00 0.00 173.24 173.88 1qw4 s ALA 237 N -0.00 -0.77 -0.08 1.44 0.00 -1.03 -1.68 121.76 119.64 1qw4 s ALA 237 Ca 0.52 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 1qw4 s ALA 237 Cb -0.30 0.86 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1qw4 s ALA 237 CO 0.35 -0.79 0.30 -1.50 0.00 0.00 0.00 175.76 174.12 1qw4 s ILE 238 N -3.90 0.02 -0.25 0.00 2.07 0.92 -1.32 121.20 118.74 1qw4 s ILE 238 Ca 0.11 -0.18 -0.00 0.00 -1.41 0.00 0.00 60.65 59.16 1qw4 s ILE 238 Cb -0.00 -0.49 0.04 0.00 0.13 0.00 0.00 42.46 42.13 1qw4 s ILE 238 CO -0.01 -0.10 -0.07 -0.89 -1.91 0.00 0.00 174.94 171.95 1qw4 s THR 239 N -0.37 2.65 -0.32 4.00 2.01 0.33 0.12 115.64 124.07 1qw4 s THR 239 Ca -0.05 -1.23 -0.16 0.00 0.31 0.00 0.00 61.69 60.56 1qw4 s THR 239 Cb -0.03 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.05 1qw4 s THR 239 CO 0.02 0.12 0.43 -0.69 -0.69 0.00 0.00 174.62 173.80 1qw4 s VAL 240 N 1.25 5.11 0.54 3.82 1.01 -0.11 -3.05 120.40 128.97 1qw4 s VAL 240 Ca -0.03 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1qw4 s VAL 240 Cb -0.18 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.40 1qw4 s VAL 240 CO -0.05 -0.05 0.75 -0.36 0.00 0.00 0.00 175.10 175.40 1qw4 s PHE 241 N 2.18 2.76 0.00 5.22 0.08 -0.84 -0.21 117.98 127.18 1qw4 s PHE 241 Ca 0.16 -0.10 -0.39 0.00 0.12 0.00 0.00 56.93 56.72 1qw4 s PHE 241 Cb -0.16 -2.70 -0.18 0.00 -0.57 0.00 0.00 43.02 39.42 1qw4 s PHE 241 CO 0.11 -0.85 1.29 -2.30 -0.10 0.00 0.00 175.22 173.38 1qw4 n PRO 242 N -2.29 0.71 -1.25 0.24 -0.02 -1.25 -4.64 135.00 126.51 1qw4 n PRO 242 Ca 0.08 0.26 -0.33 0.00 -2.02 0.00 0.00 63.50 61.49 1qw4 n PRO 242 Cb 0.60 -1.85 0.11 0.00 -0.02 0.00 0.00 33.50 32.34 1qw4 n PRO 242 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1qw4 s GLN 243 N 0.66 1.93 0.54 -0.52 -2.07 -1.26 -4.63 119.66 114.31 1qw4 s GLN 243 Ca 0.89 1.57 -0.20 0.00 -1.82 0.00 0.00 55.36 55.79 1qw4 s GLN 243 Cb -1.09 -1.83 -0.05 0.00 -1.09 0.00 0.00 33.01 28.95 1qw4 s GLN 243 CO 0.53 -1.95 1.20 0.50 -1.32 0.00 0.00 175.29 174.25 1qw4 s ARG 244 N -4.28 3.28 0.00 9.60 3.52 0.80 -4.96 118.95 126.91 1qw4 s ARG 244 Ca 0.69 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 58.12 1qw4 s ARG 244 Cb -0.25 -2.11 0.00 0.00 -1.56 0.00 0.00 34.95 31.03 1qw4 s ARG 244 CO 0.50 -0.96 0.00 -1.13 -0.81 0.00 0.00 175.30 172.90 1qw4 n SER 245 N -1.17 0.00 -1.06 -2.12 3.41 -1.26 -4.76 113.62 106.67 1qw4 n SER 245 Ca 0.11 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 1qw4 n SER 245 Cb 0.49 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.70 1qw4 n SER 245 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qw4 n ASP 246 N -0.08 3.12 0.00 4.04 5.75 -1.26 -4.16 116.55 123.96 1qw4 n ASP 246 Ca 0.00 -1.95 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1qw4 n ASP 246 Cb 0.00 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1qw4 n ASP 246 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qw4 n GLY 247 N 1.44 0.78 0.50 6.12 0.00 -1.26 -2.18 105.19 110.60 1qw4 n GLY 247 Ca 0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 1qw4 n GLY 247 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qw4 n LYS 248 N -2.05 1.36 -2.53 1.61 5.02 -1.26 -4.48 118.16 115.84 1qw4 n LYS 248 Ca 0.00 -1.17 -0.15 0.00 -2.02 0.00 0.00 58.31 54.98 1qw4 n LYS 248 Cb 0.01 -1.27 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1qw4 n LYS 248 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1qw4 n HIS 249 N 0.48 2.09 -2.24 2.13 8.25 -1.26 -4.36 115.22 120.32 1qw4 n HIS 249 Ca 0.08 -2.62 -0.39 0.00 -0.26 0.00 0.00 57.72 54.52 1qw4 n HIS 249 Cb 0.35 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 1qw4 n HIS 249 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1qw4 s ASP 250 N -3.48 6.64 -0.20 0.41 1.01 -1.26 -3.17 116.67 116.63 1qw4 s ASP 250 Ca 0.37 2.46 -0.13 0.00 0.71 0.00 0.00 52.55 55.97 1qw4 s ASP 250 Cb 0.40 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.66 1qw4 s ASP 250 CO -0.04 -0.60 0.26 -0.36 0.21 0.00 0.00 175.17 174.63 1qw4 s PHE 251 N -1.29 3.40 -0.10 4.23 0.40 -1.26 -1.15 117.98 122.20 1qw4 s PHE 251 Ca 0.54 0.46 -0.06 0.00 -0.60 0.00 0.00 56.93 57.27 1qw4 s PHE 251 Cb -0.34 -2.33 0.04 0.00 0.51 0.00 0.00 43.02 40.90 1qw4 s PHE 251 CO 0.44 0.15 0.25 1.03 0.70 0.00 0.00 175.22 177.79 1qw4 s ARG 252 N 0.77 0.23 -0.28 0.44 1.81 0.67 -3.39 118.95 119.21 1qw4 s ARG 252 Ca 0.13 0.48 -0.16 0.00 -1.72 0.00 0.00 55.73 54.47 1qw4 s ARG 252 Cb -0.13 -0.04 -0.03 0.00 -0.45 0.00 0.00 34.95 34.30 1qw4 s ARG 252 CO 0.04 -0.12 0.41 -0.51 -0.68 0.00 0.00 175.30 174.44 1qw4 s LEU 253 N 0.93 4.08 0.00 2.53 1.02 -1.26 -1.01 118.68 124.97 1qw4 s LEU 253 Ca -0.07 0.29 0.22 0.00 0.02 0.00 0.00 54.13 54.59 1qw4 s LEU 253 Cb -0.08 -2.49 1.32 0.00 0.02 0.00 0.00 46.19 44.96 1qw4 s LEU 253 CO -0.06 -0.24 1.77 0.79 0.02 0.00 0.00 176.35 178.63 1qw4 n TRP 254 N 5.41 0.00 -3.23 0.29 7.02 -0.38 -4.61 117.44 121.95 1qw4 n TRP 254 Ca -0.07 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.10 1qw4 n TRP 254 Cb 0.50 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.34 1qw4 n TRP 254 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1qw4 s ASN 255 N -1.83 6.62 0.03 -0.99 -0.87 -1.26 -4.97 114.94 111.67 1qw4 s ASN 255 Ca 0.33 1.03 -0.09 0.00 -1.57 0.00 0.00 52.86 52.56 1qw4 s ASN 255 Cb 0.15 -2.27 -0.31 0.00 -0.02 0.00 0.00 41.25 38.80 1qw4 s ASN 255 CO 0.26 -0.18 0.97 0.77 -2.57 0.00 0.00 177.10 176.34 1qw4 h SER 256 N 2.11 0.60 -4.78 -1.22 4.64 -1.90 -3.25 113.55 109.75 1qw4 h SER 256 Ca -0.47 -0.70 -0.19 0.00 -0.47 0.00 0.00 61.79 59.96 1qw4 h SER 256 Cb 1.18 -0.19 -0.22 0.00 -0.31 0.00 0.00 62.40 62.85 1qw4 h SER 256 CO 0.67 1.56 -0.71 -1.10 -0.87 0.00 0.00 176.83 176.38 1qw4 s GLN 257 N -2.62 0.30 0.12 4.77 -0.21 -1.26 -1.34 119.66 119.43 1qw4 s GLN 257 Ca -0.08 -0.55 -0.32 0.00 0.02 0.00 0.00 55.36 54.43 1qw4 s GLN 257 Cb 0.06 0.03 -0.09 0.00 1.00 0.00 0.00 33.01 34.01 1qw4 s GLN 257 CO 0.90 -0.03 1.57 -0.07 -2.12 0.00 0.00 175.29 175.54 1qw4 h LEU 258 N 4.84 -1.52 -8.87 2.90 4.07 -1.19 -3.39 115.31 112.15 1qw4 h LEU 258 Ca -0.31 0.19 -0.63 0.00 0.08 0.00 0.00 57.88 57.20 1qw4 h LEU 258 Cb 1.21 0.60 -0.20 0.00 1.08 0.00 0.00 40.66 43.35 1qw4 h LEU 258 CO 0.42 -0.47 -0.63 -0.63 -1.08 0.00 0.00 178.44 176.06 1qw4 s ILE 259 N -5.80 4.21 0.01 1.22 1.01 -1.26 -4.86 121.20 115.72 1qw4 s ILE 259 Ca -0.16 -0.24 -0.28 0.00 0.00 0.00 0.00 60.65 59.98 1qw4 s ILE 259 Cb 0.08 -2.89 0.08 0.00 0.01 0.00 0.00 42.46 39.75 1qw4 s ILE 259 CO 0.63 0.45 0.73 -0.60 0.00 0.00 0.00 174.94 176.15 1qw4 s ARG 260 N 0.63 1.03 0.22 2.79 3.52 -1.26 -4.85 118.95 121.02 1qw4 s ARG 260 Ca 0.00 -0.08 -0.16 0.00 -0.13 0.00 0.00 55.73 55.36 1qw4 s ARG 260 Cb -0.14 0.48 -0.08 0.00 -1.56 0.00 0.00 34.95 33.65 1qw4 s ARG 260 CO 0.02 -0.39 0.66 0.71 -0.81 0.00 0.00 175.30 175.49 1qw4 s TYR 261 N -2.31 3.55 0.44 5.12 2.02 -1.26 0.14 117.35 125.05 1qw4 s TYR 261 Ca -0.03 1.20 -0.21 0.00 -0.37 0.00 0.00 57.07 57.65 1qw4 s TYR 261 Cb -0.01 -2.49 -0.10 0.00 -0.40 0.00 0.00 41.96 38.97 1qw4 s TYR 261 CO -0.02 0.30 1.00 0.00 -1.57 0.00 0.00 175.55 175.27 1qw4 s ALA 262 N -1.64 2.98 -0.09 3.71 0.00 0.15 -4.57 121.76 122.31 1qw4 s ALA 262 Ca 0.44 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.97 1qw4 s ALA 262 Cb -0.14 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.77 1qw4 s ALA 262 CO 0.20 -0.10 -0.19 0.20 0.00 0.00 0.00 175.76 175.86 1qw4 s GLY 263 N -1.98 1.13 -0.07 0.00 0.00 -1.23 -2.41 107.32 102.76 1qw4 s GLY 263 Ca 0.63 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.63 1qw4 s GLY 263 CO 0.18 -0.12 -0.25 -0.19 0.00 0.00 0.00 173.10 172.73 1qw4 s TYR 264 N 0.53 2.47 -0.81 1.90 2.02 0.15 -4.29 117.35 119.33 1qw4 s TYR 264 Ca -0.16 -0.81 -0.17 0.00 -0.37 0.00 0.00 57.07 55.56 1qw4 s TYR 264 Cb -0.17 -1.63 0.16 0.00 -0.40 0.00 0.00 41.96 39.92 1qw4 s TYR 264 CO 0.06 -0.27 0.89 -1.14 -1.57 0.00 0.00 175.55 173.52 1qw4 s GLN 265 N -0.03 3.46 0.85 -0.62 -0.44 -1.26 -0.21 119.66 121.41 1qw4 s GLN 265 Ca -0.08 -1.90 -0.13 0.00 -2.50 0.00 0.00 55.36 50.75 1qw4 s GLN 265 Cb -0.15 -4.58 0.08 0.00 -1.64 0.00 0.00 33.01 26.72 1qw4 s GLN 265 CO 0.05 -1.54 0.99 -1.33 0.50 0.00 0.00 175.29 173.96 1qw4 n MET 266 N 5.57 -0.04 -0.28 1.67 2.81 -0.57 -4.91 117.12 121.37 1qw4 n MET 266 Ca 0.12 0.06 -0.00 0.00 -1.81 0.00 0.00 57.70 56.07 1qw4 n MET 266 Cb 0.47 -2.26 0.20 0.00 -0.71 0.00 0.00 33.22 30.91 1qw4 n MET 266 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 1qw4 h PRO 267 N -1.19 1.11 -0.99 0.03 0.11 -1.96 -2.39 132.00 126.72 1qw4 h PRO 267 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1qw4 h PRO 267 Cb 1.29 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1qw4 h PRO 267 CO 0.42 0.74 0.00 -0.25 -0.21 0.00 0.00 178.00 178.70 1qw4 n ASP 268 N -4.41 0.84 0.00 -2.05 8.00 -1.26 -4.74 116.55 112.93 1qw4 n ASP 268 Ca 0.10 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.75 1qw4 n ASP 268 Cb 0.03 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 1qw4 n ASP 268 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qw4 n GLY 269 N 0.53 0.97 3.30 0.44 0.00 -0.90 -4.92 105.19 104.61 1qw4 n GLY 269 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1qw4 n GLY 269 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1qw4 n THR 270 N 0.00 0.00 -4.11 2.61 5.66 -1.26 -4.68 114.28 112.50 1qw4 n THR 270 Ca 0.00 -0.33 -0.23 0.00 -3.05 0.00 0.00 64.05 60.44 1qw4 n THR 270 Cb 0.00 -0.69 -0.17 0.00 -1.55 0.00 0.00 70.33 67.92 1qw4 n THR 270 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1qw4 s ILE 271 N -2.25 0.70 -0.06 1.09 1.01 -1.26 -1.51 121.20 118.91 1qw4 s ILE 271 Ca 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 1qw4 s ILE 271 Cb -0.14 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.57 1qw4 s ILE 271 CO 0.65 0.28 -0.01 -0.60 0.00 0.00 0.00 174.94 175.26 1qw4 s ARG 272 N 1.23 2.90 2.00 2.79 3.52 0.70 -4.95 118.95 127.13 1qw4 s ARG 272 Ca -0.06 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 1qw4 s ARG 272 Cb -0.14 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.52 1qw4 s ARG 272 CO -0.02 0.68 0.00 0.41 -0.81 0.00 0.00 175.30 175.56 1qw4 n GLY 273 N 1.97 -0.26 3.53 8.12 0.00 -1.26 0.30 105.19 117.60 1qw4 n GLY 273 Ca -0.17 -1.35 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1qw4 n GLY 273 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qw4 s ASP 274 N -4.00 6.31 0.58 1.61 3.68 -1.01 -4.80 116.67 119.04 1qw4 s ASP 274 Ca 0.00 -0.23 0.29 0.00 2.13 0.00 0.00 52.55 54.74 1qw4 s ASP 274 Cb 0.00 -2.29 1.78 0.00 -1.45 0.00 0.00 42.92 40.96 1qw4 s ASP 274 CO 0.00 -0.62 2.25 0.00 0.13 0.00 0.00 175.17 176.93 1qw4 h ALA 275 N 8.66 1.57 0.00 3.66 0.00 -1.77 -2.35 119.26 129.02 1qw4 h ALA 275 Ca -0.27 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1qw4 h ALA 275 Cb 1.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1qw4 h ALA 275 CO 0.83 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 180.04 1qw4 h ALA 276 N 2.00 1.05 -0.32 0.00 0.00 -1.91 -3.01 119.26 117.07 1qw4 h ALA 276 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1qw4 h ALA 276 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1qw4 h ALA 276 CO 0.00 0.05 0.01 0.25 0.00 0.00 0.00 179.25 179.55 1qw4 n THR 277 N -3.21 2.40 -0.15 0.00 -2.24 -0.89 -4.73 114.28 105.48 1qw4 n THR 277 Ca -0.01 -2.11 -0.07 0.00 -2.27 0.00 0.00 64.05 59.59 1qw4 n THR 277 Cb 0.24 -0.28 0.01 0.00 -2.10 0.00 0.00 70.33 68.20 1qw4 n THR 277 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1qw4 h LEU 278 N 1.57 0.50 -0.12 3.22 3.38 -1.64 -0.94 115.31 121.28 1qw4 h LEU 278 Ca 0.09 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1qw4 h LEU 278 Cb 1.57 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.19 1qw4 h LEU 278 CO 0.31 0.36 0.04 -0.08 0.09 0.00 0.00 178.44 179.16 1qw4 h GLU 279 N 0.60 0.19 -0.37 1.13 4.81 -1.86 -2.49 114.58 116.59 1qw4 h GLU 279 Ca 0.17 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1qw4 h GLU 279 Cb -0.05 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1qw4 h GLU 279 CO -0.05 0.33 0.01 0.35 -0.73 0.00 0.00 179.01 178.92 1qw4 h PHE 280 N 0.01 0.70 -0.89 0.92 3.57 -1.90 -2.05 116.94 117.30 1qw4 h PHE 280 Ca 0.04 -0.12 0.13 0.00 3.53 0.00 0.00 57.97 61.56 1qw4 h PHE 280 Cb 0.22 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.70 1qw4 h PHE 280 CO -0.00 0.73 0.57 1.15 -2.23 0.00 0.00 178.31 178.53 1qw4 h THR 281 N 0.46 0.86 -0.38 4.41 2.02 -1.16 0.30 112.91 119.43 1qw4 h THR 281 Ca 0.11 -0.25 -0.10 0.00 0.77 0.00 0.00 66.41 66.94 1qw4 h THR 281 Cb 0.44 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1qw4 h THR 281 CO 0.02 0.13 -0.15 -0.61 0.37 0.00 0.00 175.52 175.28 1qw4 h GLN 282 N 0.73 0.78 -0.64 6.66 5.75 -1.12 -1.14 115.11 126.13 1qw4 h GLN 282 Ca 0.44 -0.33 0.02 0.00 -0.15 0.00 0.00 58.65 58.63 1qw4 h GLN 282 Cb 0.65 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.14 1qw4 h GLN 282 CO -0.20 0.94 0.41 1.25 -2.65 0.00 0.00 178.83 178.59 1qw4 h LEU 283 N 0.58 0.70 -0.63 -2.39 5.85 -0.13 0.10 115.31 119.39 1qw4 h LEU 283 Ca 0.09 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 1qw4 h LEU 283 Cb 0.69 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1qw4 h LEU 283 CO 0.05 0.50 0.39 0.00 -0.34 0.00 0.00 178.44 179.04 1qw4 h ILE 285 N 0.77 1.26 0.00 0.00 2.04 -0.35 -1.40 117.51 119.83 1qw4 h ILE 285 Ca 0.25 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.12 1qw4 h ILE 285 Cb 0.01 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1qw4 h ILE 285 CO -0.10 0.37 -0.10 0.44 0.00 0.00 0.00 178.15 178.77 1qw4 h ASP 286 N 1.04 0.00 -0.41 1.72 3.32 -0.09 -1.90 116.42 120.10 1qw4 h ASP 286 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1qw4 h ASP 286 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1qw4 h ASP 286 CO 0.00 0.10 0.00 0.18 -1.72 0.00 0.00 179.24 177.80 1qw4 n LEU 287 N -3.51 3.33 0.00 1.55 4.77 -0.40 -4.91 117.00 117.83 1qw4 n LEU 287 Ca -0.02 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 1qw4 n LEU 287 Cb 0.23 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1qw4 n LEU 287 CO 0.29 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 1qw4 n GLY 288 N 0.76 0.77 3.77 -0.72 0.00 -0.71 -4.87 105.19 104.19 1qw4 n GLY 288 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1qw4 n GLY 288 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qw4 s TRP 289 N -2.44 2.99 -0.39 1.61 -0.00 -0.81 -4.98 118.94 114.92 1qw4 s TRP 289 Ca 0.00 1.48 -0.21 0.00 -0.00 0.00 0.00 56.10 57.38 1qw4 s TRP 289 Cb 0.00 -3.54 0.01 0.00 -0.00 0.00 0.00 33.47 29.94 1qw4 s TRP 289 CO 0.00 -1.67 0.65 0.15 -0.00 0.00 0.00 176.95 176.07 1qw4 s LYS 290 N -2.16 3.54 -0.33 5.86 -0.14 -1.26 -4.43 119.74 120.82 1qw4 s LYS 290 Ca 0.55 -0.09 -0.29 0.00 -1.36 0.00 0.00 55.97 54.79 1qw4 s LYS 290 Cb -0.35 -3.86 -0.01 0.00 -1.68 0.00 0.00 37.83 31.93 1qw4 s LYS 290 CO 0.45 -0.84 1.61 -1.25 -0.76 0.00 0.00 175.35 174.56 1qw4 s PRO 291 N 2.78 3.55 0.00 -1.68 0.04 -1.26 -4.90 135.00 133.52 1qw4 s PRO 291 Ca 0.24 1.32 0.28 0.00 0.04 0.00 0.00 61.00 62.88 1qw4 s PRO 291 Cb -0.14 -4.09 1.54 0.00 0.04 0.00 0.00 34.50 31.85 1qw4 s PRO 291 CO 0.17 -1.59 1.99 0.54 0.04 0.00 0.00 177.00 178.14 1qw4 n ARG 292 N 8.08 0.63 -2.20 4.56 3.00 -1.26 -4.93 116.66 124.55 1qw4 n ARG 292 Ca 0.20 0.01 -0.07 0.00 -0.01 0.00 0.00 57.85 57.98 1qw4 n ARG 292 Cb 0.47 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.42 1qw4 n ARG 292 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1qw4 n TYR 293 N -1.15 -1.46 -2.39 -1.55 4.01 -1.26 -4.96 117.16 108.40 1qw4 n TYR 293 Ca 0.17 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.84 1qw4 n TYR 293 Cb 0.16 -1.95 0.03 0.00 -0.31 0.00 0.00 39.34 37.27 1qw4 n TYR 293 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qw4 n GLY 294 N -0.56 0.81 0.08 2.72 0.00 -1.26 -4.98 105.19 102.00 1qw4 n GLY 294 Ca -0.08 -1.99 0.11 0.00 0.00 0.00 0.00 46.02 44.06 1qw4 n GLY 294 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1qw4 n ARG 295 N -1.54 0.62 -3.01 1.61 0.63 -1.26 -4.02 116.66 109.69 1qw4 n ARG 295 Ca 0.05 0.03 -0.18 0.00 -0.92 0.00 0.00 57.85 56.83 1qw4 n ARG 295 Cb 0.18 -1.73 -0.02 0.00 0.45 0.00 0.00 32.46 31.34 1qw4 n ARG 295 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1qw4 n PHE 296 N -2.56 1.02 -3.02 -0.14 3.72 -1.26 -4.19 117.46 111.03 1qw4 n PHE 296 Ca -0.02 -3.59 -0.43 0.00 -0.05 0.00 0.00 57.45 53.37 1qw4 n PHE 296 Cb 0.57 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 1qw4 n PHE 296 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1qw4 s ASP 297 N -2.76 6.42 0.25 4.37 1.01 -1.26 -4.94 116.67 119.76 1qw4 s ASP 297 Ca 0.39 -0.02 -0.31 0.00 0.71 0.00 0.00 52.55 53.31 1qw4 s ASP 297 Cb 0.37 -2.36 -0.12 0.00 1.01 0.00 0.00 42.92 41.81 1qw4 s ASP 297 CO -0.07 -0.79 1.57 0.52 0.21 0.00 0.00 175.17 176.61 1qw4 n VAL 298 N 5.91 0.71 -2.07 -1.27 0.31 -1.26 -0.67 118.33 119.99 1qw4 n VAL 298 Ca 0.01 -0.18 -0.31 0.00 -0.01 0.00 0.00 64.34 63.85 1qw4 n VAL 298 Cb 0.48 -1.79 -0.01 0.00 -0.91 0.00 0.00 33.84 31.62 1qw4 n VAL 298 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qw4 s LEU 299 N 0.12 3.38 0.64 7.52 1.43 0.12 -4.81 118.68 127.08 1qw4 s LEU 299 Ca 0.69 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1qw4 s LEU 299 Cb -0.56 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.14 1qw4 s LEU 299 CO 0.45 -0.78 1.04 -2.16 0.23 0.00 0.00 176.35 175.13 1qw4 s PRO 300 N -4.73 3.45 0.05 1.29 0.04 -1.26 -4.68 135.00 129.16 1qw4 s PRO 300 Ca 0.57 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.05 1qw4 s PRO 300 Cb -0.11 -2.07 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1qw4 s PRO 300 CO 0.45 -0.67 0.84 -0.51 0.04 0.00 0.00 177.00 177.15 1qw4 s LEU 301 N -5.22 4.44 -0.30 -3.56 1.02 0.19 -4.85 118.68 110.40 1qw4 s LEU 301 Ca 0.56 1.55 0.03 0.00 0.02 0.00 0.00 54.13 56.29 1qw4 s LEU 301 Cb -0.11 -3.36 0.08 0.00 0.02 0.00 0.00 46.19 42.81 1qw4 s LEU 301 CO 0.54 -0.05 -0.04 -0.69 0.02 0.00 0.00 176.35 176.13 1qw4 s VAL 302 N 0.16 2.21 -0.09 -1.59 1.01 -1.26 0.79 120.40 121.64 1qw4 s VAL 302 Ca 0.42 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.45 1qw4 s VAL 302 Cb -0.21 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1qw4 s VAL 302 CO 0.25 -0.29 -0.08 -0.76 0.00 0.00 0.00 175.10 174.23 1qw4 s LEU 303 N 1.01 3.10 -0.22 3.92 1.43 -0.20 -1.25 118.68 126.48 1qw4 s LEU 303 Ca 0.00 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 1qw4 s LEU 303 Cb -0.20 -1.69 0.03 0.00 0.03 0.00 0.00 46.19 44.37 1qw4 s LEU 303 CO -0.06 0.31 -0.13 -1.58 0.23 0.00 0.00 176.35 175.12 1qw4 s GLN 304 N -0.48 2.79 -0.05 1.70 0.74 -0.18 -0.52 119.66 123.65 1qw4 s GLN 304 Ca 0.07 -0.99 0.04 0.00 0.05 0.00 0.00 55.36 54.53 1qw4 s GLN 304 Cb -0.12 -2.80 -0.02 0.00 1.10 0.00 0.00 33.01 31.17 1qw4 s GLN 304 CO 0.02 -0.35 -0.16 0.00 -0.55 0.00 0.00 175.29 174.25 1qw4 s ALA 305 N 1.27 2.59 -1.24 1.58 0.00 -1.26 -0.24 121.76 124.45 1qw4 s ALA 305 Ca 0.00 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.70 1qw4 s ALA 305 Cb -0.16 -0.92 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1qw4 s ALA 305 CO -0.08 0.53 0.64 -3.47 0.00 0.00 0.00 175.76 173.38 1qw4 n ASP 306 N 2.41 -3.76 0.00 0.00 2.03 -1.24 0.17 116.55 116.15 1qw4 n ASP 306 Ca -0.17 -1.22 0.00 0.00 0.52 0.00 0.00 54.79 53.92 1qw4 n ASP 306 Cb 0.52 -2.13 0.00 0.00 -0.72 0.00 0.00 41.12 38.79 1qw4 n ASP 306 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qw4 n GLY 307 N -2.04 0.00 3.72 0.27 0.00 -0.30 -4.75 105.19 102.09 1qw4 n GLY 307 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1qw4 n GLY 307 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qw4 s GLN 308 N -1.16 0.32 0.68 1.61 2.00 0.13 -4.88 119.66 118.36 1qw4 s GLN 308 Ca 0.00 0.23 -0.13 0.00 -2.00 0.00 0.00 55.36 53.46 1qw4 s GLN 308 Cb 0.00 -1.75 0.01 0.00 0.80 0.00 0.00 33.01 32.07 1qw4 s GLN 308 CO 0.00 -2.74 1.09 -0.51 -0.50 0.00 0.00 175.29 172.62 1qw4 s ASP 309 N -3.86 5.12 0.31 6.67 1.01 -1.26 -4.42 116.67 120.24 1qw4 s ASP 309 Ca 0.67 1.85 -0.29 0.00 0.71 0.00 0.00 52.55 55.49 1qw4 s ASP 309 Cb -0.14 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.16 1qw4 s ASP 309 CO 0.55 -1.62 1.22 -2.16 0.21 0.00 0.00 175.17 173.37 1qw4 s PRO 310 N -4.47 4.48 -0.12 8.23 0.04 -1.26 -4.64 135.00 137.27 1qw4 s PRO 310 Ca 0.63 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.72 1qw4 s PRO 310 Cb -0.18 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.23 1qw4 s PRO 310 CO 0.47 -0.01 -0.17 -1.21 0.04 0.00 0.00 177.00 176.11 1qw4 s GLU 311 N -1.65 3.26 0.14 4.56 2.02 0.32 -4.88 118.70 122.46 1qw4 s GLU 311 Ca 0.47 -0.76 -0.27 0.00 0.02 0.00 0.00 54.97 54.44 1qw4 s GLU 311 Cb -0.36 -2.51 -0.07 0.00 0.10 0.00 0.00 34.13 31.29 1qw4 s GLU 311 CO 0.48 0.21 0.83 0.08 0.02 0.00 0.00 175.26 176.87 1qw4 s VAL 312 N 0.33 4.42 -0.04 2.63 1.01 -1.26 -1.03 120.40 126.45 1qw4 s VAL 312 Ca -0.14 1.81 -0.01 0.00 0.00 0.00 0.00 61.98 63.65 1qw4 s VAL 312 Cb -0.17 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.05 1qw4 s VAL 312 CO 0.07 0.45 0.03 -0.36 0.00 0.00 0.00 175.10 175.29 1qw4 s PHE 313 N -0.72 0.28 0.11 5.22 0.40 0.24 -4.95 117.98 118.54 1qw4 s PHE 313 Ca 0.39 0.08 -0.30 0.00 -0.60 0.00 0.00 56.93 56.49 1qw4 s PHE 313 Cb -0.23 -0.53 -0.06 0.00 0.51 0.00 0.00 43.02 42.71 1qw4 s PHE 313 CO 0.27 -0.20 1.16 -2.00 0.70 0.00 0.00 175.22 175.14 1qw4 s GLU 314 N 1.75 4.49 -0.11 0.44 2.56 -1.26 0.52 118.70 127.10 1qw4 s GLU 314 Ca 0.00 1.75 -0.30 0.00 0.00 0.00 0.00 54.97 56.43 1qw4 s GLU 314 Cb -0.13 -3.32 -0.01 0.00 2.00 0.00 0.00 34.13 32.67 1qw4 s GLU 314 CO -0.03 -0.13 1.03 0.42 -0.56 0.00 0.00 175.26 175.99 1qw4 s ILE 315 N 0.54 4.73 -0.32 -3.70 1.01 -1.26 -4.91 121.20 117.29 1qw4 s ILE 315 Ca 0.55 2.00 -0.37 0.00 0.00 0.00 0.00 60.65 62.84 1qw4 s ILE 315 Cb -0.29 -4.29 -0.13 0.00 0.01 0.00 0.00 42.46 37.76 1qw4 s ILE 315 CO 0.32 -0.00 2.06 -2.65 0.00 0.00 0.00 174.94 174.67 1qw4 n PRO 316 N 5.07 1.15 -0.41 2.79 -0.02 -1.26 -4.80 135.00 137.52 1qw4 n PRO 316 Ca 0.09 0.35 0.33 0.00 -2.02 0.00 0.00 63.50 62.25 1qw4 n PRO 316 Cb 0.48 -2.36 0.61 0.00 -0.02 0.00 0.00 33.50 32.22 1qw4 n PRO 316 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qw4 h PRO 317 N 10.83 0.17 0.00 0.52 0.11 -1.94 0.94 132.00 142.62 1qw4 h PRO 317 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1qw4 h PRO 317 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1qw4 h PRO 317 CO 1.00 0.11 0.00 -0.44 -0.21 0.00 0.00 178.00 178.46 1qw4 h ASP 318 N 0.17 0.00 1.12 -2.05 3.32 -2.04 -2.64 116.42 114.30 1qw4 h ASP 318 Ca 0.75 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.66 1qw4 h ASP 318 Cb 2.25 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 41.78 1qw4 h ASP 318 CO -0.38 0.00 -0.93 -0.07 -1.72 0.00 0.00 179.24 176.13 1qw4 h LEU 319 N 0.00 0.00 -8.51 1.55 3.38 0.58 -3.44 115.31 108.87 1qw4 h LEU 319 Ca 0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1qw4 h LEU 319 Cb 0.29 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.90 1qw4 h LEU 319 CO 0.00 0.57 0.34 -0.69 0.09 0.00 0.00 178.44 178.76 1qw4 s VAL 320 N -2.92 4.62 -0.19 1.22 1.01 -1.00 -4.82 120.40 118.31 1qw4 s VAL 320 Ca 0.01 0.13 -0.21 0.00 0.00 0.00 0.00 61.98 61.90 1qw4 s VAL 320 Cb 0.08 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 1qw4 s VAL 320 CO 0.78 -0.88 0.63 -0.22 0.00 0.00 0.00 175.10 175.41 1qw4 s LEU 321 N 3.35 4.16 0.06 3.92 2.96 -1.26 -5.00 118.68 126.86 1qw4 s LEU 321 Ca 0.26 0.85 0.09 0.00 -0.22 0.00 0.00 54.13 55.11 1qw4 s LEU 321 Cb -0.14 -2.89 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 1qw4 s LEU 321 CO 0.18 -0.25 -0.26 -1.61 -1.32 0.00 0.00 176.35 173.09 1qw4 s GLU 322 N 1.80 1.70 -0.24 1.98 2.02 -1.26 -0.99 118.70 123.71 1qw4 s GLU 322 Ca 0.29 -1.12 -0.06 0.00 0.02 0.00 0.00 54.97 54.10 1qw4 s GLU 322 Cb -0.16 -1.90 -0.02 0.00 0.10 0.00 0.00 34.13 32.15 1qw4 s GLU 322 CO 0.11 0.49 0.03 0.08 0.02 0.00 0.00 175.26 175.98 1qw4 s VAL 323 N -0.84 4.01 -0.07 2.63 1.01 0.12 -4.92 120.40 122.35 1qw4 s VAL 323 Ca 0.11 -0.28 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 1qw4 s VAL 323 Cb -0.10 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.40 1qw4 s VAL 323 CO 0.02 0.37 0.85 0.42 0.00 0.00 0.00 175.10 176.77 1qw4 s THR 324 N 1.51 4.93 0.12 3.92 -4.23 -1.26 -1.30 115.64 119.33 1qw4 s THR 324 Ca 0.06 1.74 -0.30 0.00 -1.18 0.00 0.00 61.69 62.01 1qw4 s THR 324 Cb -0.15 -4.18 -0.06 0.00 1.34 0.00 0.00 72.50 69.45 1qw4 s THR 324 CO 0.01 0.15 1.00 -0.04 -0.54 0.00 0.00 174.62 175.20 1qw4 s MET 325 N 1.25 4.67 -0.18 3.99 -1.94 0.58 -4.86 119.30 122.81 1qw4 s MET 325 Ca 0.43 1.51 -0.17 0.00 -1.71 0.00 0.00 55.69 55.75 1qw4 s MET 325 Cb -0.19 -3.36 0.05 0.00 2.01 0.00 0.00 34.83 33.34 1qw4 s MET 325 CO 0.20 0.16 0.50 -1.83 -0.01 0.00 0.00 175.02 174.05 1qw4 s GLU 326 N -0.00 0.59 0.03 2.03 -1.05 -1.26 -4.26 118.70 114.77 1qw4 s GLU 326 Ca 0.48 0.68 -0.17 0.00 -0.15 0.00 0.00 54.97 55.81 1qw4 s GLU 326 Cb -0.25 0.29 -0.06 0.00 -0.44 0.00 0.00 34.13 33.67 1qw4 s GLU 326 CO 0.31 -0.07 0.50 -1.58 0.95 0.00 0.00 175.26 175.36 1qw4 s HIS 327 N 0.23 3.76 -0.75 4.83 5.65 -1.26 -4.25 115.29 123.50 1qw4 s HIS 327 Ca -0.00 1.13 0.13 0.00 0.25 0.00 0.00 55.06 56.57 1qw4 s HIS 327 Cb -0.03 -2.41 0.60 0.00 -1.18 0.00 0.00 32.58 29.56 1qw4 s HIS 327 CO 0.01 0.58 1.41 -0.35 -0.65 0.00 0.00 174.74 175.74 1qw4 n PRO 328 N 1.89 0.06 0.00 2.88 -0.04 -1.26 -3.76 135.00 134.78 1qw4 n PRO 328 Ca -0.12 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1qw4 n PRO 328 Cb 0.51 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 1qw4 n PRO 328 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1qw4 n LYS 329 N -1.78 0.69 -2.96 0.54 4.76 -1.26 -4.99 118.16 113.15 1qw4 n LYS 329 Ca 0.01 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.02 1qw4 n LYS 329 Cb 0.11 -0.77 -0.04 0.00 -1.84 0.00 0.00 35.03 32.48 1qw4 n LYS 329 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1qw4 s TYR 330 N -1.55 2.83 0.48 2.13 1.51 -1.25 -4.89 117.35 116.62 1qw4 s TYR 330 Ca 0.00 -0.55 0.27 0.00 -1.01 0.00 0.00 57.07 55.78 1qw4 s TYR 330 Cb 0.00 -4.06 1.55 0.00 -0.11 0.00 0.00 41.96 39.34 1qw4 s TYR 330 CO 0.00 -1.41 2.13 0.93 -1.11 0.00 0.00 175.55 176.09 1qw4 h GLU 331 N 9.34 0.00 0.00 -0.62 5.08 -1.94 -1.91 114.58 124.52 1qw4 h GLU 331 Ca -0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1qw4 h GLU 331 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1qw4 h GLU 331 CO 1.11 0.08 0.00 -2.67 -1.00 0.00 0.00 179.01 176.53 1qw4 n TRP 332 N -3.78 0.53 -0.36 4.33 4.27 -1.26 -3.50 117.44 117.67 1qw4 n TRP 332 Ca -0.02 0.18 -0.01 0.00 -3.89 0.00 0.00 57.50 53.75 1qw4 n TRP 332 Cb 0.18 -0.79 0.13 0.00 -1.36 0.00 0.00 31.31 29.47 1qw4 n TRP 332 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1qw4 h PHE 333 N 0.00 1.22 -0.19 -2.67 3.57 -1.70 -0.60 116.94 116.57 1qw4 h PHE 333 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1qw4 h PHE 333 Cb 0.50 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1qw4 h PHE 333 CO 0.00 0.76 0.07 1.96 -2.23 0.00 0.00 178.31 178.87 1qw4 h GLN 334 N 1.31 0.26 0.00 1.11 4.20 -1.74 -1.22 115.11 119.03 1qw4 h GLN 334 Ca 0.36 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.05 1qw4 h GLN 334 Cb -0.14 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.59 1qw4 h GLN 334 CO -0.08 0.23 0.00 0.93 -0.67 0.00 0.00 178.83 179.23 1qw4 h GLU 335 N 0.26 0.00 0.00 1.46 5.08 -1.29 -1.74 114.58 118.34 1qw4 h GLU 335 Ca 0.07 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1qw4 h GLU 335 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1qw4 h GLU 335 CO -0.01 0.00 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.52 1qw4 h LEU 336 N 0.00 0.00 -1.11 1.33 3.38 -1.21 -3.47 115.31 114.23 1qw4 h LEU 336 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1qw4 h LEU 336 Cb 0.17 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.96 1qw4 h LEU 336 CO 0.00 0.41 -0.21 0.61 0.09 0.00 0.00 178.44 179.34 1qw4 n GLY 337 N -0.10 0.46 3.90 0.83 0.00 -0.66 -5.04 105.19 104.58 1qw4 n GLY 337 Ca -0.01 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1qw4 n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qw4 s LEU 338 N -2.96 4.35 0.21 0.99 1.43 -1.26 -5.03 118.68 116.41 1qw4 s LEU 338 Ca 0.15 0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 53.50 1qw4 s LEU 338 Cb -0.06 -2.85 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1qw4 s LEU 338 CO 0.22 0.20 0.55 -1.59 0.23 0.00 0.00 176.35 175.95 1qw4 s LYS 339 N -2.17 1.45 -0.07 1.70 -2.85 -1.26 -0.31 119.74 116.23 1qw4 s LYS 339 Ca 0.32 -0.91 -0.31 0.00 -1.00 0.00 0.00 55.97 54.07 1qw4 s LYS 339 Cb -0.13 0.53 0.08 0.00 -2.06 0.00 0.00 37.83 36.25 1qw4 s LYS 339 CO 0.21 -0.62 0.75 -0.46 0.10 0.00 0.00 175.35 175.33 1qw4 s TRP 340 N -3.89 -0.59 0.45 1.78 -0.11 -0.42 -4.93 118.94 111.24 1qw4 s TRP 340 Ca 0.11 1.00 -0.22 0.00 1.22 0.00 0.00 56.10 58.20 1qw4 s TRP 340 Cb -0.02 0.42 -0.08 0.00 -1.50 0.00 0.00 33.47 32.30 1qw4 s TRP 340 CO -0.01 -0.56 1.10 1.52 -4.62 0.00 0.00 176.95 174.39 1qw4 s TYR 341 N -1.24 3.01 0.14 5.86 1.13 -1.26 0.15 117.35 125.13 1qw4 s TYR 341 Ca -0.09 1.58 0.11 0.00 -1.41 0.00 0.00 57.07 57.26 1qw4 s TYR 341 Cb -0.00 -3.23 0.12 0.00 -1.10 0.00 0.00 41.96 37.75 1qw4 s TYR 341 CO 0.08 -1.09 1.47 0.00 -2.51 0.00 0.00 175.55 173.49 1qw4 h ALA 342 N 2.01 0.68 -2.55 9.51 0.00 -1.42 -3.45 119.26 124.03 1qw4 h ALA 342 Ca -0.49 -0.66 -0.69 0.00 0.00 0.00 0.00 54.91 53.07 1qw4 h ALA 342 Cb 1.23 -0.12 -0.19 0.00 0.00 0.00 0.00 17.79 18.72 1qw4 h ALA 342 CO 0.60 0.91 -0.36 -1.17 0.00 0.00 0.00 179.25 179.24 1qw4 s LEU 343 N -7.00 4.73 -0.43 0.00 2.96 -1.26 -4.56 118.68 113.12 1qw4 s LEU 343 Ca 0.01 -0.55 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 1qw4 s LEU 343 Cb 0.11 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.57 1qw4 s LEU 343 CO 0.77 -0.39 0.53 -2.16 -1.32 0.00 0.00 176.35 173.78 1qw4 s PRO 344 N 1.88 3.19 -0.21 0.98 0.04 -1.26 -4.69 135.00 134.92 1qw4 s PRO 344 Ca 0.09 -0.58 -0.02 0.00 0.04 0.00 0.00 61.00 60.53 1qw4 s PRO 344 Cb -0.18 -3.96 0.06 0.00 0.04 0.00 0.00 34.50 30.47 1qw4 s PRO 344 CO 0.11 -0.92 0.02 0.00 0.04 0.00 0.00 177.00 176.25 1qw4 s ALA 345 N 2.44 1.29 0.01 8.56 0.00 -1.26 -3.23 121.76 129.58 1qw4 s ALA 345 Ca 0.17 -0.94 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1qw4 s ALA 345 Cb -0.16 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.63 1qw4 s ALA 345 CO 0.16 -1.21 1.37 0.08 0.00 0.00 0.00 175.76 176.15 1qw4 s VAL 346 N 1.72 3.74 -0.37 0.00 1.01 -0.32 -0.64 120.40 125.53 1qw4 s VAL 346 Ca -0.02 1.15 0.04 0.00 0.00 0.00 0.00 61.98 63.15 1qw4 s VAL 346 Cb -0.18 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.48 1qw4 s VAL 346 CO -0.09 0.01 0.46 0.00 0.00 0.00 0.00 175.10 175.49 1qw4 n ALA 347 N 5.10 2.48 -0.59 5.51 0.00 -0.45 -1.95 120.51 130.61 1qw4 n ALA 347 Ca 0.12 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.24 1qw4 n ALA 347 Cb 0.44 -0.13 0.13 0.00 0.00 0.00 0.00 19.45 19.89 1qw4 n ALA 347 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qw4 n ASN 348 N -0.21 2.69 -4.95 0.00 2.04 -1.23 -4.42 115.26 109.17 1qw4 n ASN 348 Ca 0.02 -2.57 -0.23 0.00 -0.44 0.00 0.00 54.58 51.36 1qw4 n ASN 348 Cb 0.08 -0.30 -0.00 0.00 -2.53 0.00 0.00 39.78 37.03 1qw4 n ASN 348 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1qw4 s MET 349 N -1.99 3.23 -0.11 -3.83 -1.94 -1.26 -4.24 119.30 109.16 1qw4 s MET 349 Ca 0.24 -0.52 0.01 0.00 -1.71 0.00 0.00 55.69 53.70 1qw4 s MET 349 Cb 0.19 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.36 1qw4 s MET 349 CO 0.06 -0.05 -0.13 -1.17 -0.01 0.00 0.00 175.02 173.72 1qw4 s LEU 350 N -4.40 2.76 -0.17 -0.03 0.20 0.91 -4.21 118.68 113.73 1qw4 s LEU 350 Ca 0.44 -0.28 -0.13 0.00 0.69 0.00 0.00 54.13 54.86 1qw4 s LEU 350 Cb -0.10 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 44.01 1qw4 s LEU 350 CO 0.36 0.21 0.24 -0.22 -0.29 0.00 0.00 176.35 176.65 1qw4 s LEU 351 N 0.08 4.23 -0.07 -0.68 2.96 -0.92 0.35 118.68 124.62 1qw4 s LEU 351 Ca -0.05 0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.31 1qw4 s LEU 351 Cb -0.15 -2.28 -0.02 0.00 0.50 0.00 0.00 46.19 44.25 1qw4 s LEU 351 CO 0.04 0.12 -0.19 -0.70 -1.32 0.00 0.00 176.35 174.30 1qw4 s GLU 352 N 0.45 2.75 -0.22 1.98 -6.30 -0.62 -0.18 118.70 116.56 1qw4 s GLU 352 Ca 0.14 -0.80 -0.10 0.00 -2.50 0.00 0.00 54.97 51.71 1qw4 s GLU 352 Cb -0.12 -2.33 0.09 0.00 0.00 0.00 0.00 34.13 31.76 1qw4 s GLU 352 CO 0.02 0.40 0.51 0.54 0.02 0.00 0.00 175.26 176.74 1qw4 s VAL 353 N -0.17 -0.44 -1.59 3.70 0.11 -0.58 -2.23 120.40 119.21 1qw4 s VAL 353 Ca -0.02 0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 1qw4 s VAL 353 Cb -0.14 -0.78 0.10 0.00 -1.53 0.00 0.00 36.38 34.04 1qw4 s VAL 353 CO 0.04 0.04 0.69 0.61 -3.33 0.00 0.00 175.10 173.14 1qw4 n GLY 354 N 4.92 -0.38 2.67 6.54 0.00 -1.26 -0.68 105.19 116.99 1qw4 n GLY 354 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qw4 n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qw4 n GLY 355 N -1.63 3.01 3.82 -0.02 0.00 -1.26 -3.12 105.19 105.97 1qw4 n GLY 355 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1qw4 n GLY 355 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qw4 s LEU 356 N 0.00 3.86 -0.06 0.99 1.43 0.14 -4.98 118.68 120.06 1qw4 s LEU 356 Ca 0.00 1.74 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 1qw4 s LEU 356 Cb 0.00 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.69 1qw4 s LEU 356 CO 0.00 -0.53 -0.13 -1.61 0.23 0.00 0.00 176.35 174.32 1qw4 s GLU 357 N -3.33 1.69 -0.56 1.70 2.02 -1.26 -1.52 118.70 117.43 1qw4 s GLU 357 Ca 0.63 -0.44 0.00 0.00 0.02 0.00 0.00 54.97 55.19 1qw4 s GLU 357 Cb -0.11 -1.41 0.14 0.00 0.10 0.00 0.00 34.13 32.85 1qw4 s GLU 357 CO 0.18 0.06 0.34 -0.06 0.02 0.00 0.00 175.26 175.80 1qw4 s PHE 358 N 0.56 3.35 -2.00 1.61 0.40 0.75 -0.14 117.98 122.51 1qw4 s PHE 358 Ca -0.13 -2.90 0.11 0.00 -0.60 0.00 0.00 56.93 53.41 1qw4 s PHE 358 Cb -0.15 -3.04 0.63 0.00 0.51 0.00 0.00 43.02 40.97 1qw4 s PHE 358 CO 0.03 -0.81 1.05 -0.35 0.70 0.00 0.00 175.22 175.85 1qw4 n PRO 359 N 3.42 0.39 -3.50 0.24 -0.04 -1.26 -2.16 135.00 132.09 1qw4 n PRO 359 Ca 0.06 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 1qw4 n PRO 359 Cb 0.36 -1.43 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 1qw4 n PRO 359 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qw4 s ALA 360 N -2.00 0.21 -0.47 0.55 0.00 -1.22 -4.63 121.76 114.21 1qw4 s ALA 360 Ca 0.16 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.47 1qw4 s ALA 360 Cb 0.07 -1.49 0.21 0.00 0.00 0.00 0.00 23.12 21.92 1qw4 s ALA 360 CO 0.12 -1.61 0.67 0.00 0.00 0.00 0.00 175.76 174.95 1qw4 n PRO 362 N 2.26 2.43 -4.06 0.00 -0.02 -1.17 -4.67 135.00 129.77 1qw4 n PRO 362 Ca 0.18 0.86 -0.07 0.00 -2.02 0.00 0.00 63.50 62.44 1qw4 n PRO 362 Cb 0.56 -2.54 -0.10 0.00 -0.02 0.00 0.00 33.50 31.40 1qw4 n PRO 362 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1qw4 s PHE 363 N -0.71 0.47 0.17 6.00 -0.12 -0.82 -0.51 117.98 122.46 1qw4 s PHE 363 Ca 0.58 -1.00 -0.16 0.00 -0.05 0.00 0.00 56.93 56.30 1qw4 s PHE 363 Cb -0.53 -0.34 0.03 0.00 -0.63 0.00 0.00 43.02 41.54 1qw4 s PHE 363 CO 0.58 -0.40 0.47 0.54 -0.05 0.00 0.00 175.22 176.36 1qw4 s ASN 364 N -2.90 -0.23 0.00 1.98 4.22 -0.44 -1.17 114.94 116.41 1qw4 s ASN 364 Ca 0.06 -0.47 0.00 0.00 -2.14 0.00 0.00 52.86 50.31 1qw4 s ASN 364 Cb 0.07 0.54 0.00 0.00 1.28 0.00 0.00 41.25 43.14 1qw4 s ASN 364 CO -0.10 -0.99 0.00 0.61 -2.04 0.00 0.00 177.10 174.58 1qw4 n GLY 365 N -0.30 5.12 3.46 0.45 0.00 -1.20 -2.48 105.19 110.24 1qw4 n GLY 365 Ca -0.11 -0.80 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1qw4 n GLY 365 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1qw4 s TRP 366 N 1.15 2.11 0.61 1.61 -2.14 -1.26 -4.33 118.94 116.69 1qw4 s TRP 366 Ca 0.00 -0.55 -0.16 0.00 2.66 0.00 0.00 56.10 58.05 1qw4 s TRP 366 Cb 0.00 -1.12 -0.03 0.00 -3.10 0.00 0.00 33.47 29.22 1qw4 s TRP 366 CO 0.00 0.47 1.10 0.71 -2.66 0.00 0.00 176.95 176.57 1qw4 s TYR 367 N -2.79 2.73 -0.16 1.66 2.02 -1.26 -4.95 117.35 114.60 1qw4 s TYR 367 Ca 0.29 1.54 -0.02 0.00 -0.37 0.00 0.00 57.07 58.51 1qw4 s TYR 367 Cb 0.01 -3.16 -0.02 0.00 -0.40 0.00 0.00 41.96 38.40 1qw4 s TYR 367 CO 0.13 -1.49 -0.08 1.41 -1.57 0.00 0.00 175.55 173.95 1qw4 s MET 368 N -3.86 3.45 0.29 -0.62 -2.45 -1.26 -1.56 119.30 113.29 1qw4 s MET 368 Ca 0.68 -0.63 0.02 0.00 -1.25 0.00 0.00 55.69 54.51 1qw4 s MET 368 Cb -0.20 -2.82 0.72 0.00 1.25 0.00 0.00 34.83 33.78 1qw4 s MET 368 CO 0.36 0.09 1.43 0.41 1.05 0.00 0.00 175.02 178.37 1qw4 n GLY 369 N 3.92 -1.23 0.32 2.11 0.00 0.24 -0.96 105.19 109.59 1qw4 n GLY 369 Ca -0.18 0.89 0.20 0.00 0.00 0.00 0.00 46.02 46.93 1qw4 n GLY 369 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1qw4 h THR 370 N 0.00 0.18 -0.48 2.61 1.35 -1.94 0.95 112.91 115.58 1qw4 h THR 370 Ca 0.56 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 66.34 1qw4 h THR 370 Cb 1.17 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1qw4 h THR 370 CO -0.86 0.01 0.22 -0.33 -0.25 0.00 0.00 175.52 174.31 1qw4 h GLU 371 N 0.00 0.70 0.00 4.72 5.08 -1.45 -0.32 114.58 123.32 1qw4 h GLU 371 Ca -0.00 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1qw4 h GLU 371 Cb 0.05 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1qw4 h GLU 371 CO 0.00 0.60 -0.71 0.82 -1.00 0.00 0.00 179.01 178.72 1qw4 h ILE 372 N 0.64 0.60 -0.20 3.13 2.04 -1.61 -0.51 117.51 121.59 1qw4 h ILE 372 Ca 0.16 -1.66 0.05 0.00 1.00 0.00 0.00 64.86 64.42 1qw4 h ILE 372 Cb 0.14 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1qw4 h ILE 372 CO -0.02 0.20 -0.19 1.23 0.00 0.00 0.00 178.15 179.38 1qw4 h GLY 373 N -1.00 -0.08 0.00 5.37 0.00 -0.90 -1.42 103.07 105.04 1qw4 h GLY 373 Ca -0.15 0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.26 1qw4 h GLY 373 CO -0.09 -0.18 -1.06 -0.62 0.00 0.00 0.00 176.54 174.59 1qw4 n VAL 374 N -5.34 1.49 0.08 4.60 0.31 -0.19 -3.94 118.33 115.35 1qw4 n VAL 374 Ca -0.02 0.05 -0.05 0.00 -0.01 0.00 0.00 64.34 64.32 1qw4 n VAL 374 Cb 0.25 -2.18 -0.02 0.00 -0.91 0.00 0.00 33.84 30.98 1qw4 n VAL 374 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1qw4 h ARG 375 N -1.00 -0.29 -0.79 5.55 2.47 -1.43 -2.12 114.38 116.76 1qw4 h ARG 375 Ca -0.23 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.50 1qw4 h ARG 375 Cb 1.01 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 29.36 1qw4 h ARG 375 CO -0.14 -0.20 0.46 -0.44 0.56 0.00 0.00 179.97 180.21 1qw4 h ASP 376 N -1.07 0.97 0.11 7.04 3.32 -1.05 -1.74 116.42 124.00 1qw4 h ASP 376 Ca -0.03 -0.08 -0.28 0.00 0.02 0.00 0.00 57.03 56.66 1qw4 h ASP 376 Cb 0.23 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 1qw4 h ASP 376 CO 0.05 0.77 -1.42 -0.26 -1.72 0.00 0.00 179.24 176.67 1qw4 h PHE 377 N 1.09 0.44 0.00 4.55 0.04 -1.44 -1.28 116.94 120.34 1qw4 h PHE 377 Ca 0.28 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1qw4 h PHE 377 Cb -0.00 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.13 1qw4 h PHE 377 CO -0.00 1.55 -1.24 0.00 -0.60 0.00 0.00 178.31 178.03 1qw4 n ASP 379 N -2.42 2.64 -0.22 0.00 9.92 -0.65 -4.37 116.55 121.45 1qw4 n ASP 379 Ca -0.01 1.16 0.01 0.00 -0.53 0.00 0.00 54.79 55.42 1qw4 n ASP 379 Cb 0.53 -1.43 0.25 0.00 -0.64 0.00 0.00 41.12 39.83 1qw4 n ASP 379 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1qw4 h THR 380 N 2.89 1.18 -0.09 -3.53 2.02 -1.92 -1.38 112.91 112.08 1qw4 h THR 380 Ca -0.45 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1qw4 h THR 380 Cb 1.28 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1qw4 h THR 380 CO 0.72 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.80 1qw4 n GLN 381 N -4.43 1.30 0.00 6.66 0.00 -1.26 -4.60 117.38 115.05 1qw4 n GLN 381 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 57.00 56.62 1qw4 n GLN 381 Cb 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1qw4 n GLN 381 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1qw4 n ARG 382 N -0.25 0.00 0.16 2.61 5.12 -0.57 -3.79 116.66 119.93 1qw4 n ARG 382 Ca 0.11 0.00 0.12 0.00 -1.93 0.00 0.00 57.85 56.15 1qw4 n ARG 382 Cb 0.15 0.00 0.27 0.00 -1.16 0.00 0.00 32.46 31.72 1qw4 n ARG 382 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1qw4 h TYR 383 N 0.00 0.00 -6.89 -1.55 -1.99 -1.32 -3.40 116.97 101.83 1qw4 h TYR 383 Ca 0.00 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.15 1qw4 h TYR 383 Cb 0.00 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 38.58 1qw4 h TYR 383 CO 0.00 0.00 -0.95 -1.71 -0.00 0.00 0.00 178.16 175.50 1qw4 n ASN 384 N -2.66 0.19 -0.67 3.88 5.15 0.66 -4.86 115.26 116.94 1qw4 n ASN 384 Ca 0.05 -1.20 0.10 0.00 -0.60 0.00 0.00 54.58 52.92 1qw4 n ASN 384 Cb 0.48 -2.06 0.31 0.00 -0.53 0.00 0.00 39.78 37.98 1qw4 n ASN 384 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1qw4 n ILE 385 N -4.55 0.33 -0.14 -1.44 -5.35 0.10 -4.51 119.36 103.80 1qw4 n ILE 385 Ca -0.31 -0.44 -0.07 0.00 -0.27 0.00 0.00 62.75 61.66 1qw4 n ILE 385 Cb 0.69 0.41 0.01 0.00 -1.74 0.00 0.00 39.64 39.01 1qw4 n ILE 385 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1qw4 h LEU 386 N 2.50 0.43 -0.26 7.28 5.85 -1.84 -2.39 115.31 126.88 1qw4 h LEU 386 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1qw4 h LEU 386 Cb 0.55 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1qw4 h LEU 386 CO 0.00 0.31 0.14 -0.08 -0.34 0.00 0.00 178.44 178.48 1qw4 h GLU 387 N 0.53 0.37 -0.37 1.25 4.22 -1.97 -1.24 114.58 117.36 1qw4 h GLU 387 Ca 0.17 -0.04 0.07 0.00 0.08 0.00 0.00 59.36 59.63 1qw4 h GLU 387 Cb -0.01 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1qw4 h GLU 387 CO -0.06 0.32 0.01 1.49 -2.18 0.00 0.00 179.01 178.59 1qw4 h GLU 388 N 0.31 0.11 -0.43 1.92 4.57 -1.84 -0.15 114.58 119.07 1qw4 h GLU 388 Ca 0.09 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 1qw4 h GLU 388 Cb 0.06 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 1qw4 h GLU 388 CO -0.01 0.07 0.00 0.28 -1.18 0.00 0.00 179.01 178.17 1qw4 h VAL 389 N 0.11 1.23 -0.44 0.32 2.07 -1.28 -1.81 116.25 116.45 1qw4 h VAL 389 Ca 0.18 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.67 1qw4 h VAL 389 Cb 0.25 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1qw4 h VAL 389 CO -0.29 0.33 -0.14 1.23 0.02 0.00 0.00 177.57 178.71 1qw4 h GLY 390 N 0.94 0.90 0.82 2.17 0.00 -0.30 -2.56 103.07 105.03 1qw4 h GLY 390 Ca 0.13 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 1qw4 h GLY 390 CO 0.02 0.65 -0.07 3.21 0.00 0.00 0.00 176.54 180.34 1qw4 h ARG 391 N 0.74 0.44 0.00 4.80 3.08 -0.73 -2.11 114.38 120.60 1qw4 h ARG 391 Ca 0.12 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1qw4 h ARG 391 Cb 0.64 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1qw4 h ARG 391 CO 0.05 0.69 0.00 0.54 -1.07 0.00 0.00 179.97 180.18 1qw4 n ARG 392 N -4.57 0.08 0.00 0.04 1.74 -0.71 -0.78 116.66 112.47 1qw4 n ARG 392 Ca -0.04 0.23 0.11 0.00 -0.77 0.00 0.00 57.85 57.37 1qw4 n ARG 392 Cb 0.31 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.26 1qw4 n ARG 392 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1qw4 n MET 393 N -1.41 1.42 -2.25 5.56 2.81 -0.97 -4.97 117.12 117.30 1qw4 n MET 393 Ca 0.04 -1.11 -0.13 0.00 -1.81 0.00 0.00 57.70 54.69 1qw4 n MET 393 Cb 0.13 -1.45 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 1qw4 n MET 393 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qw4 n GLY 394 N 1.37 -0.17 3.92 3.03 0.00 0.04 -5.02 105.19 108.36 1qw4 n GLY 394 Ca 0.10 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.52 1qw4 n GLY 394 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qw4 s LEU 395 N -3.84 3.24 -1.23 0.99 1.43 -0.82 -4.95 118.68 113.51 1qw4 s LEU 395 Ca 0.00 0.71 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 1qw4 s LEU 395 Cb 0.00 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.64 1qw4 s LEU 395 CO 0.00 -1.06 2.22 -0.62 0.23 0.00 0.00 176.35 177.12 1qw4 n GLU 396 N -2.58 2.48 0.09 1.70 1.02 -1.26 -4.76 120.64 117.34 1qw4 n GLU 396 Ca 0.04 -2.23 0.20 0.00 -0.02 0.00 0.00 57.16 55.16 1qw4 n GLU 396 Cb 0.58 -3.05 0.70 0.00 -0.02 0.00 0.00 31.44 29.65 1qw4 n GLU 396 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1qw4 h THR 397 N 3.97 0.26 -0.24 2.62 2.02 -1.92 -0.41 112.91 119.22 1qw4 h THR 397 Ca 0.56 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.74 1qw4 h THR 397 Cb 0.56 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1qw4 h THR 397 CO 1.86 0.00 0.00 1.41 0.37 0.00 0.00 175.52 179.16 1qw4 n HIS 398 N -3.51 0.29 -3.92 3.16 8.25 -1.26 -4.63 115.22 113.60 1qw4 n HIS 398 Ca 0.08 -0.15 -0.31 0.00 -0.26 0.00 0.00 57.72 57.08 1qw4 n HIS 398 Cb 0.71 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.68 1qw4 n HIS 398 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1qw4 s THR 399 N -1.71 2.76 0.27 1.59 2.01 -0.16 -4.98 115.64 115.41 1qw4 s THR 399 Ca 0.35 -3.09 -0.00 0.00 0.31 0.00 0.00 61.69 59.26 1qw4 s THR 399 Cb 0.21 -2.90 0.27 0.00 0.01 0.00 0.00 72.50 70.08 1qw4 s THR 399 CO 0.30 -0.78 1.69 0.25 -0.69 0.00 0.00 174.62 175.40 1qw4 h LEU 400 N 6.79 0.20 0.00 4.42 5.85 -1.82 -0.82 115.31 129.93 1qw4 h LEU 400 Ca -0.06 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1qw4 h LEU 400 Cb 0.92 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1qw4 h LEU 400 CO 0.67 -0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.76 1qw4 n ALA 401 N -2.57 1.33 0.77 1.25 0.00 -1.26 -2.36 120.51 117.67 1qw4 n ALA 401 Ca 0.19 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1qw4 n ALA 401 Cb 0.56 -1.05 0.50 0.00 0.00 0.00 0.00 19.45 19.46 1qw4 n ALA 401 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qw4 n SER 402 N -1.30 0.32 -1.68 0.00 3.41 -0.32 -4.92 113.62 109.13 1qw4 n SER 402 Ca 0.01 0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 59.02 1qw4 n SER 402 Cb 0.03 -0.62 -0.00 0.00 -0.26 0.00 0.00 64.21 63.35 1qw4 n SER 402 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1qw4 n LEU 403 N -1.81 -1.74 -0.14 1.04 4.77 -0.99 -4.92 117.00 113.20 1qw4 n LEU 403 Ca 0.06 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 1qw4 n LEU 403 Cb 0.34 -2.15 0.10 0.00 -2.33 0.00 0.00 43.42 39.38 1qw4 n LEU 403 CO 0.26 -0.10 0.83 4.11 -1.33 0.00 0.00 177.39 181.16 1qw4 h TRP 404 N -0.14 0.96 -0.90 -1.77 5.08 -1.85 -2.07 115.95 115.26 1qw4 h TRP 404 Ca -0.34 -0.16 0.08 0.00 1.08 0.00 0.00 58.89 59.55 1qw4 h TRP 404 Cb 1.25 -0.25 -0.06 0.00 -3.00 0.00 0.00 29.16 27.09 1qw4 h TRP 404 CO 0.37 0.89 0.58 0.87 -1.28 0.00 0.00 178.44 179.88 1qw4 h LYS 405 N 0.81 0.95 -0.36 0.12 1.57 -1.91 0.39 116.57 118.14 1qw4 h LYS 405 Ca 0.14 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1qw4 h LYS 405 Cb 0.54 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1qw4 h LYS 405 CO 0.03 0.63 0.20 -0.44 -0.57 0.00 0.00 179.45 179.30 1qw4 h ASP 406 N 0.98 0.44 0.07 0.86 5.19 -1.79 -0.56 116.42 121.61 1qw4 h ASP 406 Ca 0.40 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.73 1qw4 h ASP 406 Cb 0.27 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.67 1qw4 h ASP 406 CO -0.16 0.39 -0.04 0.03 -3.12 0.00 0.00 179.24 176.35 1qw4 h ARG 407 N 0.45 -0.10 0.62 3.56 3.08 -0.50 -3.13 114.38 118.36 1qw4 h ARG 407 Ca 0.13 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1qw4 h ARG 407 Cb 0.04 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1qw4 h ARG 407 CO -0.02 0.24 -0.40 0.00 -1.07 0.00 0.00 179.97 178.72 1qw4 h ALA 408 N 0.45 -1.19 -1.28 0.04 0.00 -0.27 -2.68 119.26 114.33 1qw4 h ALA 408 Ca -0.01 -0.20 0.37 0.00 0.00 0.00 0.00 54.91 55.07 1qw4 h ALA 408 Cb 0.38 0.53 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1qw4 h ALA 408 CO 0.02 -1.16 0.90 -0.24 0.00 0.00 0.00 179.25 178.76 1qw4 h VAL 409 N -0.96 0.35 -0.03 0.00 3.04 -1.22 0.52 116.25 117.94 1qw4 h VAL 409 Ca -0.08 -0.03 -0.21 0.00 -1.01 0.00 0.00 66.70 65.38 1qw4 h VAL 409 Cb 0.78 0.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.32 1qw4 h VAL 409 CO 0.07 0.01 -0.84 0.74 -1.01 0.00 0.00 177.57 176.54 1qw4 h THR 410 N 0.08 1.40 -0.53 3.17 2.02 -1.43 -1.84 112.91 115.77 1qw4 h THR 410 Ca 0.64 -2.33 -0.08 0.00 0.77 0.00 0.00 66.41 65.41 1qw4 h THR 410 Cb 2.36 2.29 -0.02 0.00 -1.74 0.00 0.00 68.15 71.04 1qw4 h THR 410 CO -0.10 0.70 0.02 -0.33 0.37 0.00 0.00 175.52 176.18 1qw4 h GLU 411 N 0.24 0.93 -0.87 6.66 4.39 0.31 -1.59 114.58 124.65 1qw4 h GLU 411 Ca -0.05 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 1qw4 h GLU 411 Cb 1.45 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.97 1qw4 h GLU 411 CO 0.14 0.94 0.45 0.82 -1.16 0.00 0.00 179.01 180.20 1qw4 h ILE 412 N 0.81 1.26 -0.33 3.13 2.04 -1.24 -0.37 117.51 122.81 1qw4 h ILE 412 Ca 0.15 -0.68 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 1qw4 h ILE 412 Cb 0.50 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1qw4 h ILE 412 CO 0.02 0.30 -0.00 0.78 0.00 0.00 0.00 178.15 179.25 1qw4 h ASN 413 N 1.23 0.47 -0.23 1.72 -0.26 -1.00 -1.82 115.58 115.69 1qw4 h ASN 413 Ca 0.30 -0.08 -0.15 0.00 -0.56 0.00 0.00 56.30 55.80 1qw4 h ASN 413 Cb 0.07 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1qw4 h ASN 413 CO -0.04 0.54 -0.46 0.58 -1.06 0.00 0.00 177.43 176.98 1qw4 h VAL 414 N 0.48 1.31 -0.27 2.81 2.07 -0.52 -2.75 116.25 119.38 1qw4 h VAL 414 Ca 0.10 -1.67 0.01 0.00 0.82 0.00 0.00 66.70 65.97 1qw4 h VAL 414 Cb 0.32 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1qw4 h VAL 414 CO 0.01 0.53 0.15 0.00 0.02 0.00 0.00 177.57 178.27 1qw4 h ALA 415 N 0.63 0.33 0.02 1.67 0.00 -0.77 -0.36 119.26 120.78 1qw4 h ALA 415 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qw4 h ALA 415 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qw4 h ALA 415 CO 0.10 -0.24 -0.01 0.28 0.00 0.00 0.00 179.25 179.38 1qw4 h VAL 416 N 0.30 0.99 -0.40 0.00 2.07 -1.36 0.20 116.25 118.06 1qw4 h VAL 416 Ca 0.11 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1qw4 h VAL 416 Cb 0.01 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1qw4 h VAL 416 CO -0.06 0.01 0.18 -0.07 0.02 0.00 0.00 177.57 177.65 1qw4 h LEU 417 N -0.05 0.54 -0.07 2.57 3.38 -1.41 -2.14 115.31 118.13 1qw4 h LEU 417 Ca -0.00 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1qw4 h LEU 417 Cb 0.04 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1qw4 h LEU 417 CO 0.01 0.53 0.02 -0.74 0.09 0.00 0.00 178.44 178.35 1qw4 h HIS 418 N 0.50 0.03 -0.45 1.13 2.76 -0.90 -1.15 115.15 117.07 1qw4 h HIS 418 Ca 0.14 0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1qw4 h HIS 418 Cb 0.15 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 1qw4 h HIS 418 CO -0.01 0.01 0.29 0.77 -1.30 0.00 0.00 177.93 177.69 1qw4 h SER 419 N 0.05 0.48 -0.30 3.26 0.02 -0.51 -0.83 113.55 115.72 1qw4 h SER 419 Ca 0.03 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1qw4 h SER 419 Cb 0.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1qw4 h SER 419 CO -0.04 0.35 0.16 -0.26 -1.14 0.00 0.00 176.83 175.89 1qw4 h PHE 420 N 0.58 0.42 -0.80 3.45 -1.00 -1.26 -1.66 116.94 116.67 1qw4 h PHE 420 Ca 0.17 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 1qw4 h PHE 420 Cb -0.03 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 39.36 1qw4 h PHE 420 CO -0.06 0.35 0.34 1.96 -1.61 0.00 0.00 178.31 179.30 1qw4 h GLN 421 N 0.36 1.17 -0.45 1.51 4.20 -1.00 0.13 115.11 121.03 1qw4 h GLN 421 Ca 0.10 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 1qw4 h GLN 421 Cb 0.08 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1qw4 h GLN 421 CO -0.02 0.93 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.81 1qw4 h LYS 422 N 1.15 0.83 -0.05 1.46 3.64 -1.01 -2.30 116.57 120.29 1qw4 h LYS 422 Ca 0.27 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1qw4 h LYS 422 Cb 0.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1qw4 h LYS 422 CO -0.03 0.91 0.00 1.04 -2.27 0.00 0.00 179.45 179.11 1qw4 n GLN 423 N -4.32 1.15 -3.10 1.90 6.02 -0.64 -4.90 117.38 113.49 1qw4 n GLN 423 Ca -0.00 -0.23 -0.22 0.00 -0.01 0.00 0.00 57.00 56.54 1qw4 n GLN 423 Cb 0.34 -1.14 0.02 0.00 1.02 0.00 0.00 30.24 30.48 1qw4 n GLN 423 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1qw4 n ASN 424 N -0.40 -5.33 -4.73 1.08 3.02 -0.50 -4.96 115.26 103.44 1qw4 n ASN 424 Ca 0.06 -0.30 -0.35 0.00 -0.03 0.00 0.00 54.58 53.96 1qw4 n ASN 424 Cb 0.08 -4.34 -0.08 0.00 -0.61 0.00 0.00 39.78 34.83 1qw4 n ASN 424 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qw4 s VAL 425 N -3.09 5.40 0.16 2.41 1.01 0.34 -4.25 120.40 122.38 1qw4 s VAL 425 Ca 0.32 0.22 -0.33 0.00 0.00 0.00 0.00 61.98 62.19 1qw4 s VAL 425 Cb -0.15 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 1qw4 s VAL 425 CO 0.39 0.43 1.68 0.41 0.00 0.00 0.00 175.10 178.02 1qw4 n THR 426 N 3.56 0.09 -3.71 3.92 -1.04 0.18 -4.27 114.28 113.01 1qw4 n THR 426 Ca -0.16 -0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.73 1qw4 n THR 426 Cb 0.52 -1.78 -0.06 0.00 -1.82 0.00 0.00 70.33 67.18 1qw4 n THR 426 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1qw4 s ILE 427 N 1.44 0.08 -0.04 12.58 2.07 -1.26 -4.43 121.20 131.64 1qw4 s ILE 427 Ca 0.79 -0.66 0.01 0.00 -1.41 0.00 0.00 60.65 59.39 1qw4 s ILE 427 Cb -0.60 -1.06 0.02 0.00 0.13 0.00 0.00 42.46 40.95 1qw4 s ILE 427 CO 0.37 -0.36 -0.06 -0.32 -1.91 0.00 0.00 174.94 172.66 1qw4 s MET 428 N -3.05 0.85 0.49 3.50 -2.45 -0.60 -4.97 119.30 113.07 1qw4 s MET 428 Ca -0.02 -0.15 -0.18 0.00 -1.25 0.00 0.00 55.69 54.09 1qw4 s MET 428 Cb 0.01 -0.83 -0.08 0.00 1.25 0.00 0.00 34.83 35.18 1qw4 s MET 428 CO -0.06 -0.03 0.99 0.16 1.05 0.00 0.00 175.02 177.12 1qw4 s ASP 429 N 0.70 6.62 0.31 1.11 1.47 -1.26 0.81 116.67 126.43 1qw4 s ASP 429 Ca -0.10 1.66 -0.01 0.00 1.18 0.00 0.00 52.55 55.28 1qw4 s ASP 429 Cb -0.13 -2.52 0.48 0.00 -0.34 0.00 0.00 42.92 40.41 1qw4 s ASP 429 CO 0.00 -0.59 1.96 1.12 0.68 0.00 0.00 175.17 178.35 1qw4 h HIS 430 N 1.23 0.96 0.21 2.11 -0.00 -1.98 -1.85 115.15 115.83 1qw4 h HIS 430 Ca -0.48 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 59.89 1qw4 h HIS 430 Cb 1.19 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1qw4 h HIS 430 CO 0.62 0.63 -0.10 0.45 -0.00 0.00 0.00 177.93 179.53 1qw4 h HIS 431 N 1.01 -0.26 -0.71 6.12 3.86 -1.97 0.13 115.15 123.33 1qw4 h HIS 431 Ca 0.27 -0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1qw4 h HIS 431 Cb -0.06 0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1qw4 h HIS 431 CO 0.00 -0.14 0.45 1.15 0.86 0.00 0.00 177.93 180.26 1qw4 h THR 432 N -0.32 1.12 0.17 2.45 2.02 -1.94 -0.84 112.91 115.57 1qw4 h THR 432 Ca -0.03 -0.31 0.01 0.00 0.77 0.00 0.00 66.41 66.85 1qw4 h THR 432 Cb 0.25 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 1qw4 h THR 432 CO 0.05 0.16 -0.20 0.00 0.37 0.00 0.00 175.52 175.90 1qw4 h ALA 433 N 1.29 -0.39 -0.74 6.16 0.00 -1.00 0.11 119.26 124.69 1qw4 h ALA 433 Ca 0.28 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.19 1qw4 h ALA 433 Cb -0.02 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1qw4 h ALA 433 CO -0.10 -0.75 0.44 0.77 0.00 0.00 0.00 179.25 179.61 1qw4 h SER 434 N -0.42 0.68 -0.41 0.00 0.02 -0.43 -0.17 113.55 112.82 1qw4 h SER 434 Ca 0.01 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 1qw4 h SER 434 Cb 0.41 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1qw4 h SER 434 CO -0.07 0.44 -0.03 -0.08 -1.14 0.00 0.00 176.83 175.95 1qw4 h GLU 435 N 0.81 0.82 -0.14 3.45 4.81 -0.84 -2.07 114.58 121.43 1qw4 h GLU 435 Ca 0.33 -0.24 -0.20 0.00 -0.13 0.00 0.00 59.36 59.12 1qw4 h GLU 435 Cb 0.16 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1qw4 h GLU 435 CO -0.17 0.85 -0.71 0.66 -0.73 0.00 0.00 179.01 178.90 1qw4 h SER 436 N 0.76 0.72 -0.35 1.04 4.64 -0.04 -3.00 113.55 117.32 1qw4 h SER 436 Ca 0.14 -0.45 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 1qw4 h SER 436 Cb 0.51 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 1qw4 h SER 436 CO 0.03 1.22 0.14 0.15 -0.87 0.00 0.00 176.83 177.50 1qw4 h PHE 437 N 0.43 0.58 -0.36 4.77 3.57 -0.77 -1.36 116.94 123.80 1qw4 h PHE 437 Ca -0.03 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1qw4 h PHE 437 Cb 1.31 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1qw4 h PHE 437 CO 0.06 0.47 0.18 0.52 -2.23 0.00 0.00 178.31 177.31 1qw4 h MET 438 N 0.58 0.51 -1.00 1.11 2.86 -1.31 0.15 114.93 117.82 1qw4 h MET 438 Ca 0.14 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1qw4 h MET 438 Cb 0.15 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.66 1qw4 h MET 438 CO -0.01 0.45 0.66 -0.22 1.06 0.00 0.00 176.91 178.85 1qw4 h LYS 439 N 0.44 1.28 0.51 1.72 1.63 -1.26 -1.11 116.57 119.78 1qw4 h LYS 439 Ca 0.12 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1qw4 h LYS 439 Cb 0.10 -0.29 0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1qw4 h LYS 439 CO -0.02 0.85 -0.25 1.25 -3.45 0.00 0.00 179.45 177.83 1qw4 h HIS 440 N 1.32 -0.64 -0.97 1.91 2.76 -0.74 -1.40 115.15 117.38 1qw4 h HIS 440 Ca 0.38 -0.02 0.15 0.00 -2.20 0.00 0.00 60.37 58.69 1qw4 h HIS 440 Cb -0.08 0.21 -0.09 0.00 1.55 0.00 0.00 27.41 29.01 1qw4 h HIS 440 CO -0.00 -0.35 0.61 1.98 -1.30 0.00 0.00 177.93 178.87 1qw4 h MET 441 N -0.81 0.81 -0.41 5.26 1.85 -0.41 0.29 114.93 121.51 1qw4 h MET 441 Ca -0.07 -0.05 -0.10 0.00 -0.61 0.00 0.00 59.70 58.87 1qw4 h MET 441 Cb 0.58 -0.18 -0.01 0.00 0.43 0.00 0.00 31.60 32.41 1qw4 h MET 441 CO 0.12 0.54 -0.12 1.96 -0.40 0.00 0.00 176.91 179.01 1qw4 h GLN 442 N 0.84 0.81 -0.72 0.39 4.20 -1.08 -1.85 115.11 117.70 1qw4 h GLN 442 Ca 0.51 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1qw4 h GLN 442 Cb 0.68 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1qw4 h GLN 442 CO -0.28 0.94 0.46 -0.91 -0.67 0.00 0.00 178.83 178.37 1qw4 h ASN 443 N 0.63 0.84 -0.40 1.46 2.35 0.17 -2.71 115.58 117.92 1qw4 h ASN 443 Ca 0.10 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 1qw4 h ASN 443 Cb 0.65 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 1qw4 h ASN 443 CO 0.04 0.63 0.14 -0.33 -1.65 0.00 0.00 177.43 176.27 1qw4 h GLU 444 N 0.97 0.68 -0.17 0.81 4.39 -0.26 0.75 114.58 121.75 1qw4 h GLU 444 Ca 0.26 -0.11 -0.16 0.00 0.34 0.00 0.00 59.36 59.69 1qw4 h GLU 444 Cb -0.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.45 1qw4 h GLU 444 CO -0.05 0.60 -0.56 1.88 -1.16 0.00 0.00 179.01 179.71 1qw4 h TYR 445 N 0.67 0.68 -0.17 4.33 -1.99 -1.03 0.61 116.97 120.07 1qw4 h TYR 445 Ca 0.16 -0.24 -0.13 0.00 2.00 0.00 0.00 58.73 60.51 1qw4 h TYR 445 Cb 0.20 -0.13 0.00 0.00 2.00 0.00 0.00 36.73 38.81 1qw4 h TYR 445 CO 0.01 0.98 -0.41 0.00 -0.00 0.00 0.00 178.16 178.74 1qw4 h ARG 446 N 0.41 0.57 -0.41 4.88 3.08 -1.27 0.14 114.38 121.79 1qw4 h ARG 446 Ca 0.00 -0.39 -0.09 0.00 0.07 0.00 0.00 59.98 59.57 1qw4 h ARG 446 Cb 1.11 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1qw4 h ARG 446 CO 0.11 1.01 -0.12 0.00 -1.07 0.00 0.00 179.97 179.90 1qw4 h ALA 447 N 0.56 0.56 0.00 0.04 0.00 -0.81 -3.40 119.26 116.22 1qw4 h ALA 447 Ca -0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1qw4 h ALA 447 Cb 1.02 -0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.55 1qw4 h ALA 447 CO 0.09 0.45 -0.45 2.89 0.00 0.00 0.00 179.25 182.23 1qw4 n ARG 448 N -4.31 0.00 -3.63 0.00 1.85 0.19 -5.06 116.66 105.69 1qw4 n ARG 448 Ca -0.01 -0.97 -0.23 0.00 -1.00 0.00 0.00 57.85 55.64 1qw4 n ARG 448 Cb 0.38 -0.05 0.04 0.00 -1.05 0.00 0.00 32.46 31.78 1qw4 n ARG 448 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qw4 n GLY 449 N 0.12 -0.60 0.00 2.89 0.00 0.50 -4.32 105.19 103.78 1qw4 n GLY 449 Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1qw4 n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qw4 n GLY 450 N -1.56 3.37 3.14 -0.02 0.00 -1.23 -0.71 105.19 108.18 1qw4 n GLY 450 Ca -0.21 -1.22 0.04 0.00 0.00 0.00 0.00 46.02 44.63 1qw4 n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qw4 s PRO 452 N 2.84 3.38 -0.02 0.00 0.04 -1.26 -4.57 135.00 135.41 1qw4 s PRO 452 Ca 0.18 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.10 1qw4 s PRO 452 Cb -0.14 -4.25 -0.00 0.00 0.04 0.00 0.00 34.50 30.15 1qw4 s PRO 452 CO -0.22 -1.81 -0.11 0.00 0.04 0.00 0.00 177.00 174.89 1qw4 s ALA 453 N 7.09 1.02 -0.82 8.56 0.00 -0.54 -3.53 121.76 133.54 1qw4 s ALA 453 Ca 0.89 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 52.31 1qw4 s ALA 453 Cb -0.30 -0.34 0.21 0.00 0.00 0.00 0.00 23.12 22.70 1qw4 s ALA 453 CO 0.35 0.19 0.73 0.34 0.00 0.00 0.00 175.76 177.37 1qw4 s ASP 454 N 0.04 6.34 0.34 0.00 -1.08 -0.31 -3.22 116.67 118.78 1qw4 s ASP 454 Ca -0.01 -2.98 0.15 0.00 -0.52 0.00 0.00 52.55 49.18 1qw4 s ASP 454 Cb -0.08 -2.08 1.13 0.00 -1.46 0.00 0.00 42.92 40.43 1qw4 s ASP 454 CO 0.00 -0.43 1.52 1.87 0.52 0.00 0.00 175.17 178.65 1qw4 n TRP 455 N 3.47 0.98 0.27 -5.34 -0.00 -1.26 -0.28 117.44 115.28 1qw4 n TRP 455 Ca 0.15 1.14 0.12 0.00 -0.00 0.00 0.00 57.50 58.91 1qw4 n TRP 455 Cb 0.42 -1.45 0.76 0.00 -0.00 0.00 0.00 31.31 31.05 1qw4 n TRP 455 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1qw4 h ILE 456 N 0.00 0.63 0.00 5.87 2.04 -1.92 -2.50 117.51 121.63 1qw4 h ILE 456 Ca 0.75 -0.34 -0.37 0.00 1.00 0.00 0.00 64.86 65.90 1qw4 h ILE 456 Cb 1.88 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 39.11 1qw4 h ILE 456 CO -0.79 0.08 -2.37 0.79 0.00 0.00 0.00 178.15 175.86 1qw4 n TRP 457 N -3.82 0.03 0.30 1.37 7.02 0.62 -4.48 117.44 118.48 1qw4 n TRP 457 Ca -0.02 0.01 0.14 0.00 -1.02 0.00 0.00 57.50 56.61 1qw4 n TRP 457 Cb 0.18 -1.01 0.40 0.00 -2.42 0.00 0.00 31.31 28.46 1qw4 n TRP 457 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 1qw4 h LEU 458 N 0.00 0.00 -9.11 -0.99 3.38 -1.19 -3.43 115.31 103.97 1qw4 h LEU 458 Ca -0.54 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 56.83 1qw4 h LEU 458 Cb 2.22 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.87 1qw4 h LEU 458 CO 0.02 0.00 0.02 -0.69 0.09 0.00 0.00 178.44 177.88 1qw4 s VAL 459 N -3.37 5.07 0.47 1.22 1.01 -0.95 -4.95 120.40 118.91 1qw4 s VAL 459 Ca 0.05 1.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.83 1qw4 s VAL 459 Cb 0.07 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1qw4 s VAL 459 CO 0.60 0.15 0.89 -2.65 0.00 0.00 0.00 175.10 174.09 1qw4 n PRO 460 N 4.95 1.08 0.00 2.72 -0.02 -1.26 -4.83 135.00 137.64 1qw4 n PRO 460 Ca -0.04 0.39 0.01 0.00 -2.02 0.00 0.00 63.50 61.85 1qw4 n PRO 460 Cb 0.50 -1.97 0.06 0.00 -0.02 0.00 0.00 33.50 32.08 1qw4 n PRO 460 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qw4 n PRO 461 N -0.04 0.41 -3.51 0.52 -0.04 -1.26 -4.22 135.00 126.86 1qw4 n PRO 461 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.43 1qw4 n PRO 461 Cb 0.42 -1.08 -0.04 0.00 -0.04 0.00 0.00 33.50 32.75 1qw4 n PRO 461 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qw4 s VAL 462 N -2.00 0.02 -1.96 0.52 -7.23 -1.26 -4.95 120.40 103.53 1qw4 s VAL 462 Ca 0.03 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.08 1qw4 s VAL 462 Cb 0.01 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 35.96 1qw4 s VAL 462 CO 0.03 -0.07 0.00 -1.20 -0.31 0.00 0.00 175.10 173.55 1qw4 n SER 463 N 0.23 -5.37 0.00 4.85 7.64 -1.26 -4.93 113.62 114.78 1qw4 n SER 463 Ca -0.18 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1qw4 n SER 463 Cb 0.61 -4.54 0.00 0.00 -1.01 0.00 0.00 64.21 59.27 1qw4 n SER 463 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qw4 n GLY 464 N -0.69 -2.25 0.00 0.23 0.00 -1.26 -0.40 105.19 100.82 1qw4 n GLY 464 Ca -0.20 0.46 0.05 0.00 0.00 0.00 0.00 46.02 46.33 1qw4 n GLY 464 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qw4 n SER 465 N -1.63 0.00 0.17 1.61 3.41 -1.26 -1.63 113.62 114.29 1qw4 n SER 465 Ca 0.00 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 1qw4 n SER 465 Cb 0.00 -0.49 0.24 0.00 -0.26 0.00 0.00 64.21 63.70 1qw4 n SER 465 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1qw4 h ILE 466 N 0.00 0.00 -2.88 -1.33 1.08 -1.11 -3.44 117.51 109.83 1qw4 h ILE 466 Ca 0.00 -0.80 -0.63 0.00 -0.39 0.00 0.00 64.86 63.04 1qw4 h ILE 466 Cb 0.17 1.76 -0.05 0.00 -3.07 0.00 0.00 36.82 35.63 1qw4 h ILE 466 CO 0.00 0.00 -0.43 0.42 -0.69 0.00 0.00 178.15 177.45 1qw4 s THR 467 N -3.18 5.35 0.41 -0.27 -4.23 -0.64 -5.02 115.64 108.06 1qw4 s THR 467 Ca 0.08 0.03 0.27 0.00 -1.18 0.00 0.00 61.69 60.89 1qw4 s THR 467 Cb 0.08 -3.56 0.29 0.00 1.34 0.00 0.00 72.50 70.65 1qw4 s THR 467 CO 0.65 0.33 2.07 1.55 -0.54 0.00 0.00 174.62 178.68 1qw4 h PRO 468 N 3.85 0.00 0.00 3.99 0.13 -1.86 -3.08 132.00 135.03 1qw4 h PRO 468 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1qw4 h PRO 468 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 1qw4 h PRO 468 CO 0.68 0.12 -0.17 -0.39 -0.23 0.00 0.00 178.00 178.01 1qw4 h VAL 469 N 0.00 0.88 -0.52 1.56 -1.51 -1.88 -2.68 116.25 112.10 1qw4 h VAL 469 Ca -0.00 -0.62 -0.02 0.00 -1.23 0.00 0.00 66.70 64.82 1qw4 h VAL 469 Cb 0.33 1.36 -0.03 0.00 -2.13 0.00 0.00 31.29 30.82 1qw4 h VAL 469 CO 0.02 0.16 0.23 0.15 -1.23 0.00 0.00 177.57 176.89 1qw4 h PHE 470 N 0.00 0.73 -0.36 5.19 3.04 -1.73 -2.55 116.94 121.27 1qw4 h PHE 470 Ca -0.00 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1qw4 h PHE 470 Cb 0.35 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1qw4 h PHE 470 CO 0.00 0.56 0.00 0.72 -2.02 0.00 0.00 178.31 177.57 1qw4 n HIS 471 N -4.36 0.47 -3.81 0.41 -0.00 -1.01 -4.84 115.22 102.08 1qw4 n HIS 471 Ca 0.04 -0.24 -0.36 0.00 -0.00 0.00 0.00 57.72 57.16 1qw4 n HIS 471 Cb 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.00 1qw4 n HIS 471 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 1qw4 s GLN 472 N -1.53 3.30 0.40 -0.41 2.00 -0.96 -0.82 119.66 121.64 1qw4 s GLN 472 Ca 0.27 -0.70 -0.25 0.00 -2.00 0.00 0.00 55.36 52.68 1qw4 s GLN 472 Cb 0.14 -3.24 -0.09 0.00 0.80 0.00 0.00 33.01 30.63 1qw4 s GLN 472 CO 0.19 -0.30 1.12 -1.21 -0.50 0.00 0.00 175.29 174.58 1qw4 s GLU 473 N 1.51 4.11 0.08 1.67 2.02 -0.68 -5.00 118.70 122.42 1qw4 s GLU 473 Ca 0.04 1.70 -0.03 0.00 0.02 0.00 0.00 54.97 56.70 1qw4 s GLU 473 Cb -0.16 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.41 1qw4 s GLU 473 CO 0.01 -0.23 0.06 0.00 0.02 0.00 0.00 175.26 175.12 1qw4 s MET 474 N -2.35 0.77 -0.18 1.61 0.23 -1.26 -4.64 119.30 113.48 1qw4 s MET 474 Ca 0.57 -1.20 -0.02 0.00 -1.03 0.00 0.00 55.69 54.01 1qw4 s MET 474 Cb -0.27 0.26 -0.01 0.00 -1.53 0.00 0.00 34.83 33.28 1qw4 s MET 474 CO 0.34 -0.20 -0.08 -0.51 -2.03 0.00 0.00 175.02 172.53 1qw4 s LEU 475 N -2.93 2.81 -0.14 0.18 1.43 -1.26 -4.94 118.68 113.84 1qw4 s LEU 475 Ca 0.11 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1qw4 s LEU 475 Cb 0.07 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1qw4 s LEU 475 CO -0.07 0.07 0.05 0.21 0.23 0.00 0.00 176.35 176.83 1qw4 s ASN 476 N 0.95 5.57 -0.10 2.29 2.47 -1.20 -1.46 114.94 123.47 1qw4 s ASN 476 Ca -0.01 0.16 -0.30 0.00 0.42 0.00 0.00 52.86 53.13 1qw4 s ASN 476 Cb -0.15 -1.80 0.12 0.00 -1.45 0.00 0.00 41.25 37.97 1qw4 s ASN 476 CO -0.00 0.29 0.96 -0.72 -3.72 0.00 0.00 177.10 173.90 1qw4 s TYR 477 N -0.32 -0.36 -0.34 0.43 1.13 -1.26 -4.95 117.35 111.68 1qw4 s TYR 477 Ca 0.08 0.46 -0.18 0.00 -1.41 0.00 0.00 57.07 56.02 1qw4 s TYR 477 Cb -0.12 0.49 -0.01 0.00 -1.10 0.00 0.00 41.96 41.22 1qw4 s TYR 477 CO 0.02 -0.42 0.53 0.08 -2.51 0.00 0.00 175.55 173.25 1qw4 s VAL 478 N -1.95 5.00 0.00 -3.49 1.01 -1.26 -4.81 120.40 114.90 1qw4 s VAL 478 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1qw4 s VAL 478 Cb -0.01 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1qw4 s VAL 478 CO -0.03 -0.20 0.00 0.18 0.00 0.00 0.00 175.10 175.06 1qw4 n LEU 479 N 5.76 0.00 -3.67 3.92 4.77 -1.26 -1.49 117.00 125.03 1qw4 n LEU 479 Ca -0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 1qw4 n LEU 479 Cb 0.49 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.49 1qw4 n LEU 479 CO 0.45 -0.04 0.25 -0.55 -1.33 0.00 0.00 177.39 176.17 1qw4 s SER 480 N -0.83 -0.65 0.99 -1.43 0.15 -1.26 -4.39 113.70 106.28 1qw4 s SER 480 Ca 0.00 1.19 -0.12 0.00 0.70 0.00 0.00 55.95 57.72 1qw4 s SER 480 Cb 0.00 1.17 0.14 0.00 -1.71 0.00 0.00 66.02 65.62 1qw4 s SER 480 CO 0.00 -0.21 0.85 -2.65 1.20 0.00 0.00 173.24 172.43 1qw4 n PRO 481 N 3.21 -0.89 -3.57 5.44 -0.02 -1.26 -5.00 135.00 132.91 1qw4 n PRO 481 Ca -0.16 -0.21 -0.17 0.00 -2.02 0.00 0.00 63.50 60.94 1qw4 n PRO 481 Cb 0.56 -2.16 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 1qw4 n PRO 481 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1qw4 s PHE 482 N -2.50 -0.59 -0.40 6.00 5.36 -0.95 -4.12 117.98 120.79 1qw4 s PHE 482 Ca 0.64 1.04 -0.14 0.00 -0.96 0.00 0.00 56.93 57.50 1qw4 s PHE 482 Cb -0.22 0.35 0.02 0.00 -0.34 0.00 0.00 43.02 42.83 1qw4 s PHE 482 CO 0.62 -0.56 0.28 0.71 -1.46 0.00 0.00 175.22 174.81 1qw4 s TYR 483 N -1.11 3.24 0.33 10.12 2.02 -1.26 -1.59 117.35 129.11 1qw4 s TYR 483 Ca -0.11 -0.63 0.06 0.00 -0.37 0.00 0.00 57.07 56.03 1qw4 s TYR 483 Cb -0.01 -2.55 -0.01 0.00 -0.40 0.00 0.00 41.96 38.99 1qw4 s TYR 483 CO 0.08 -0.58 0.47 0.71 -1.57 0.00 0.00 175.55 174.66 1qw4 s TYR 484 N 1.66 3.12 0.70 2.71 2.02 0.15 -4.88 117.35 122.85 1qw4 s TYR 484 Ca 0.05 -0.21 -0.03 0.00 -0.37 0.00 0.00 57.07 56.50 1qw4 s TYR 484 Cb -0.19 -1.99 0.10 0.00 -0.40 0.00 0.00 41.96 39.48 1qw4 s TYR 484 CO 0.09 -0.00 0.99 0.71 -1.57 0.00 0.00 175.55 175.77 1qw4 s TYR 485 N -2.17 2.22 0.11 2.71 2.02 -0.09 -0.06 117.35 122.08 1qw4 s TYR 485 Ca 0.45 0.03 -0.05 0.00 -0.37 0.00 0.00 57.07 57.13 1qw4 s TYR 485 Cb -0.10 -3.11 -0.02 0.00 -0.40 0.00 0.00 41.96 38.33 1qw4 s TYR 485 CO 0.31 -1.55 0.12 -0.65 -1.57 0.00 0.00 175.55 172.22 1qw4 s GLN 486 N -5.16 0.88 0.10 -0.62 -0.21 -1.26 -0.84 119.66 112.56 1qw4 s GLN 486 Ca 0.63 -1.20 -0.30 0.00 0.02 0.00 0.00 55.36 54.52 1qw4 s GLN 486 Cb -0.08 0.29 -0.06 0.00 1.00 0.00 0.00 33.01 34.17 1qw4 s GLN 486 CO 0.44 -0.26 1.09 0.42 -2.12 0.00 0.00 175.29 174.86 1qw4 s ILE 487 N -3.95 4.17 -0.37 1.08 1.09 -1.26 -4.91 121.20 117.04 1qw4 s ILE 487 Ca 0.13 1.70 -0.41 0.00 -1.10 0.00 0.00 60.65 60.97 1qw4 s ILE 487 Cb 0.06 -4.09 -0.16 0.00 -1.06 0.00 0.00 42.46 37.21 1qw4 s ILE 487 CO -0.05 0.21 1.86 -0.62 -0.10 0.00 0.00 174.94 176.24 1qw4 n GLU 488 N 3.16 0.71 -0.31 2.79 1.02 -1.26 -4.82 120.64 121.93 1qw4 n GLU 488 Ca 0.05 0.24 0.17 0.00 -0.02 0.00 0.00 57.16 57.61 1qw4 n GLU 488 Cb 0.47 -1.94 0.36 0.00 -0.02 0.00 0.00 31.44 30.31 1qw4 n GLU 488 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1qw4 h PRO 489 N 7.94 0.22 0.00 3.49 0.13 -1.91 -0.05 132.00 141.81 1qw4 h PRO 489 Ca -0.37 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1qw4 h PRO 489 Cb 1.35 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1qw4 h PRO 489 CO 1.00 0.14 0.00 -2.67 -0.23 0.00 0.00 178.00 176.24 1qw4 n TRP 490 N -5.19 0.00 -0.09 1.56 2.14 -1.26 -1.58 117.44 113.02 1qw4 n TRP 490 Ca 0.25 0.00 -0.10 0.00 2.07 0.00 0.00 57.50 59.73 1qw4 n TRP 490 Cb 0.81 -0.05 -0.14 0.00 -0.81 0.00 0.00 31.31 31.13 1qw4 n TRP 490 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1qw4 n LYS 491 N -1.05 1.00 -2.91 -2.67 5.02 -0.04 -4.59 118.16 112.93 1qw4 n LYS 491 Ca 0.06 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.07 1qw4 n LYS 491 Cb 0.03 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1qw4 n LYS 491 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1qw4 n THR 492 N -2.73 3.37 -3.64 -0.18 -2.24 -0.61 -4.99 114.28 103.25 1qw4 n THR 492 Ca -0.31 -5.62 -0.18 0.00 -2.27 0.00 0.00 64.05 55.68 1qw4 n THR 492 Cb 1.07 -1.41 -0.15 0.00 -2.10 0.00 0.00 70.33 67.73 1qw4 n THR 492 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1qw4 s HIS 493 N -3.56 -0.16 -0.42 4.78 5.04 -1.12 -4.92 115.29 114.93 1qw4 s HIS 493 Ca 0.48 0.48 -0.23 0.00 -1.54 0.00 0.00 55.06 54.25 1qw4 s HIS 493 Cb 0.27 -0.31 0.02 0.00 0.04 0.00 0.00 32.58 32.60 1qw4 s HIS 493 CO -0.14 -0.34 0.79 0.96 -2.34 0.00 0.00 174.74 173.67 1qw4 s ILE 494 N 2.28 4.67 -2.00 0.89 -5.25 -1.26 -5.02 121.20 115.52 1qw4 s ILE 494 Ca 0.04 0.59 0.19 0.00 -0.99 0.00 0.00 60.65 60.48 1qw4 s ILE 494 Cb -0.13 -4.29 0.54 0.00 2.95 0.00 0.00 42.46 41.53 1qw4 s ILE 494 CO -0.07 -0.63 1.53 0.79 -1.79 0.00 0.00 174.94 174.77