#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqx s GLU 87 N 0.00 4.38 -0.17 1.43 8.01 -1.26 -4.92 118.70 126.17 3kqx s GLU 87 Ca 0.00 1.79 -0.28 0.00 0.01 0.00 0.00 54.97 56.48 3kqx s GLU 87 Cb 0.00 -3.43 -0.00 0.00 -4.31 0.00 0.00 34.13 26.38 3kqx s GLU 87 CO 0.00 -0.37 0.98 0.08 0.01 0.00 0.00 175.26 175.96 3kqx s VAL 88 N 1.58 4.77 0.55 2.63 1.01 -1.26 -5.03 120.40 124.65 3kqx s VAL 88 Ca 0.59 1.94 -0.18 0.00 0.00 0.00 0.00 61.98 64.33 3kqx s VAL 88 Cb -0.29 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.77 3kqx s VAL 88 CO 0.27 -0.06 1.08 -2.16 0.00 0.00 0.00 175.10 174.23 3kqx s PRO 89 N 2.50 3.42 0.05 2.72 0.04 -1.26 -4.97 135.00 137.50 3kqx s PRO 89 Ca 0.44 1.40 0.05 0.00 0.04 0.00 0.00 61.00 62.93 3kqx s PRO 89 Cb -0.17 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 3kqx s PRO 89 CO 0.12 -0.75 -0.14 -0.65 0.04 0.00 0.00 177.00 175.62 3kqx s GLN 90 N -3.56 0.88 -0.11 4.56 -0.21 -1.26 -5.04 119.66 114.92 3kqx s GLN 90 Ca 0.68 -0.82 -0.13 0.00 0.02 0.00 0.00 55.36 55.11 3kqx s GLN 90 Cb -0.19 -0.89 -0.26 0.00 1.00 0.00 0.00 33.01 32.67 3kqx s GLN 90 CO 0.29 0.21 0.47 0.28 -2.12 0.00 0.00 175.29 174.43 3kqx h VAL 91 N 4.44 0.89 -2.70 1.09 2.07 -1.96 -3.48 116.25 116.60 3kqx h VAL 91 Ca -0.39 -2.37 -0.48 0.00 0.82 0.00 0.00 66.70 64.28 3kqx h VAL 91 Cb 1.18 2.60 -0.14 0.00 -1.52 0.00 0.00 31.29 33.42 3kqx h VAL 91 CO 0.43 0.73 -0.67 0.68 0.02 0.00 0.00 177.57 178.75 3kqx s VAL 92 N -2.50 1.60 -0.80 2.57 -7.23 -1.26 -5.03 120.40 107.75 3kqx s VAL 92 Ca -0.21 -2.12 0.18 0.00 -1.81 0.00 0.00 61.98 58.02 3kqx s VAL 92 Cb 0.05 -2.44 0.17 0.00 0.56 0.00 0.00 36.38 34.72 3kqx s VAL 92 CO 0.76 -0.30 1.56 -1.54 -0.31 0.00 0.00 175.10 175.27 3kqx n SER 93 N -0.57 0.26 -0.16 4.85 3.41 -1.26 -1.72 113.62 118.43 3kqx n SER 93 Ca -0.05 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 3kqx n SER 93 Cb 0.63 -0.62 0.47 0.00 -0.26 0.00 0.00 64.21 64.43 3kqx n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 94 N -1.79 0.70 -4.74 1.04 4.77 -1.26 -4.86 117.00 110.86 3kqx n LEU 94 Ca 0.03 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.51 3kqx n LEU 94 Cb 0.19 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3kqx n LEU 94 CO 0.16 0.13 0.96 -1.81 -1.33 0.00 0.00 177.39 175.51 3kqx s ASP 95 N -2.57 6.93 0.61 -1.43 1.01 -0.70 -4.98 116.67 115.53 3kqx s ASP 95 Ca 0.24 2.39 -0.17 0.00 0.71 0.00 0.00 52.55 55.72 3kqx s ASP 95 Cb 0.19 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3kqx s ASP 95 CO 0.52 -0.50 1.13 -2.84 0.21 0.00 0.00 175.17 173.69 3kqx s PRO 96 N -0.25 3.03 0.00 8.23 0.01 -1.26 -4.98 135.00 139.78 3kqx s PRO 96 Ca 0.55 1.52 0.03 0.00 0.01 0.00 0.00 61.00 63.11 3kqx s PRO 96 Cb -0.36 -1.97 0.08 0.00 0.01 0.00 0.00 34.50 32.26 3kqx s PRO 96 CO 0.39 -1.09 0.95 0.25 0.01 0.00 0.00 177.00 177.51 3kqx n THR 97 N -1.90 0.73 -3.83 0.99 -2.24 -1.26 -4.87 114.28 101.90 3kqx n THR 97 Ca 0.11 -0.87 -0.09 0.00 -2.27 0.00 0.00 64.05 60.93 3kqx n THR 97 Cb 0.51 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.35 3kqx n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqx s SER 98 N -0.81 -0.16 -0.17 3.42 1.04 -1.26 -4.73 113.70 111.02 3kqx s SER 98 Ca 0.06 -0.63 -0.24 0.00 0.48 0.00 0.00 55.95 55.62 3kqx s SER 98 Cb 0.04 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 3kqx s SER 98 CO 0.05 -1.03 0.78 -0.63 0.98 0.00 0.00 173.24 173.38 3kqx s ILE 99 N -3.92 4.92 0.30 -1.02 1.01 -1.25 -4.85 121.20 116.39 3kqx s ILE 99 Ca 0.13 1.51 -0.29 0.00 0.00 0.00 0.00 60.65 62.00 3kqx s ILE 99 Cb -0.00 -4.09 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 3kqx s ILE 99 CO -0.00 0.05 1.21 -2.16 0.00 0.00 0.00 174.94 174.04 3kqx s PRO 100 N 2.06 4.49 -0.06 2.79 0.04 -1.26 -5.01 135.00 138.04 3kqx s PRO 100 Ca 0.36 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 3kqx s PRO 100 Cb -0.16 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.27 3kqx s PRO 100 CO 0.12 -0.01 -0.01 0.42 0.04 0.00 0.00 177.00 177.56 3kqx s ILE 101 N -1.03 0.41 -0.26 0.56 1.01 -1.26 -4.96 121.20 115.67 3kqx s ILE 101 Ca 0.48 0.06 -0.16 0.00 0.00 0.00 0.00 60.65 61.02 3kqx s ILE 101 Cb -0.36 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3kqx s ILE 101 CO 0.46 0.25 0.44 -0.70 0.00 0.00 0.00 174.94 175.39 3kqx s GLU 102 N 1.66 4.06 -0.23 2.79 2.12 -1.26 -4.96 118.70 122.88 3kqx s GLU 102 Ca 0.00 0.18 -0.16 0.00 0.36 0.00 0.00 54.97 55.36 3kqx s GLU 102 Cb -0.13 -3.64 -0.10 0.00 0.26 0.00 0.00 34.13 30.53 3kqx s GLU 102 CO -0.04 -0.28 -0.33 0.66 -0.54 0.00 0.00 175.26 174.73 3kqx n TYR 103 N 5.32 0.07 -2.77 5.30 4.02 -1.26 -4.78 117.16 123.06 3kqx n TYR 103 Ca -0.06 0.03 -0.43 0.00 -0.01 0.00 0.00 57.90 57.43 3kqx n TYR 103 Cb 0.50 -0.80 -0.03 0.00 -0.02 0.00 0.00 39.34 38.99 3kqx n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqx s ASN 104 N -6.81 6.52 0.45 7.72 -0.87 -1.26 -5.00 114.94 115.70 3kqx s ASN 104 Ca -0.34 -1.66 0.01 0.00 -1.57 0.00 0.00 52.86 49.31 3kqx s ASN 104 Cb 0.10 -2.47 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 3kqx s ASN 104 CO 0.46 -1.30 0.66 0.42 -2.57 0.00 0.00 177.10 174.78 3kqx s THR 105 N 3.80 3.77 0.42 1.60 -4.23 -1.26 -4.96 115.64 114.77 3kqx s THR 105 Ca 0.37 -0.60 0.25 0.00 -1.18 0.00 0.00 61.69 60.54 3kqx s THR 105 Cb -0.04 -3.38 0.28 0.00 1.34 0.00 0.00 72.50 70.69 3kqx s THR 105 CO -0.07 -0.25 2.06 -0.65 -0.54 0.00 0.00 174.62 175.17 3kqx h PRO 106 N 0.41 0.00 -0.66 3.99 0.11 -2.00 -0.13 132.00 133.72 3kqx h PRO 106 Ca -0.45 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.73 3kqx h PRO 106 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3kqx h PRO 106 CO 0.56 0.13 0.44 0.82 -0.21 0.00 0.00 178.00 179.73 3kqx h ILE 107 N 0.00 0.98 0.00 4.15 1.08 -1.93 -1.42 117.51 120.36 3kqx h ILE 107 Ca -0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 3kqx h ILE 107 Cb 0.33 0.31 -0.00 0.00 -3.07 0.00 0.00 36.82 34.38 3kqx h ILE 107 CO 0.02 0.11 -0.06 0.45 -0.69 0.00 0.00 178.15 177.98 3kqx h HIS 108 N 0.61 0.00 -0.01 1.37 3.86 -1.38 -2.36 115.15 117.24 3kqx h HIS 108 Ca 0.29 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 3kqx h HIS 108 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 3kqx h HIS 108 CO -0.00 0.06 -0.15 -0.25 0.86 0.00 0.00 177.93 178.45 3kqx n ASP 109 N -3.26 0.75 -4.64 2.45 8.00 -0.54 -4.86 116.55 114.45 3kqx n ASP 109 Ca -0.01 -0.79 -0.43 0.00 0.71 0.00 0.00 54.79 54.27 3kqx n ASP 109 Cb 0.25 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.34 3kqx n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqx s ILE 110 N -2.42 4.18 -0.14 0.53 1.01 -0.89 -4.84 121.20 118.63 3kqx s ILE 110 Ca 0.29 1.38 -0.27 0.00 0.00 0.00 0.00 60.65 62.04 3kqx s ILE 110 Cb 0.20 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.59 3kqx s ILE 110 CO 0.47 -0.32 0.92 -0.54 0.00 0.00 0.00 174.94 175.47 3kqx s LYS 111 N 3.90 4.35 -0.13 2.79 3.01 0.19 -4.88 119.74 128.96 3kqx s LYS 111 Ca 0.56 1.19 -0.01 0.00 -1.01 0.00 0.00 55.97 56.70 3kqx s LYS 111 Cb -0.19 -3.56 -0.02 0.00 -1.01 0.00 0.00 37.83 33.05 3kqx s LYS 111 CO 0.20 -0.33 -0.10 0.08 0.51 0.00 0.00 175.35 175.71 3kqx s VAL 112 N 2.13 3.37 -0.07 3.17 1.01 -1.26 -0.46 120.40 128.29 3kqx s VAL 112 Ca 0.43 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3kqx s VAL 112 Cb -0.17 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.79 3kqx s VAL 112 CO 0.14 0.52 -0.12 -1.10 0.00 0.00 0.00 175.10 174.54 3kqx s GLN 113 N 0.27 1.68 -0.19 2.72 -0.21 -0.28 -4.97 119.66 118.69 3kqx s GLN 113 Ca -0.07 -0.40 -0.08 0.00 0.02 0.00 0.00 55.36 54.84 3kqx s GLN 113 Cb -0.15 -1.43 -0.04 0.00 1.00 0.00 0.00 33.01 32.39 3kqx s GLN 113 CO 0.04 -0.01 0.07 0.08 -2.12 0.00 0.00 175.29 173.36 3kqx s VAL 114 N 0.78 4.88 0.09 1.09 1.01 -1.26 -1.33 120.40 125.66 3kqx s VAL 114 Ca -0.12 -0.00 0.09 0.00 0.00 0.00 0.00 61.98 61.95 3kqx s VAL 114 Cb -0.15 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3kqx s VAL 114 CO 0.02 0.45 -0.25 -0.31 0.00 0.00 0.00 175.10 175.02 3kqx s TYR 115 N 0.39 2.15 0.12 5.22 1.51 0.34 -4.96 117.35 122.13 3kqx s TYR 115 Ca 0.04 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 3kqx s TYR 115 Cb -0.12 -1.22 -0.06 0.00 -0.11 0.00 0.00 41.96 40.44 3kqx s TYR 115 CO -0.00 0.21 1.07 0.34 -1.11 0.00 0.00 175.55 176.06 3kqx s ASP 116 N -1.64 7.31 0.32 2.29 -1.08 -1.26 -1.81 116.67 120.81 3kqx s ASP 116 Ca 0.11 1.96 0.10 0.00 -0.52 0.00 0.00 52.55 54.20 3kqx s ASP 116 Cb -0.10 -2.59 0.55 0.00 -1.46 0.00 0.00 42.92 39.32 3kqx s ASP 116 CO 0.04 -0.22 1.74 -0.29 0.52 0.00 0.00 175.17 176.95 3kqx h ILE 117 N 4.04 1.31 -0.57 4.11 2.10 -1.62 -2.98 117.51 123.91 3kqx h ILE 117 Ca -0.43 -1.52 0.16 0.00 1.08 0.00 0.00 64.86 64.16 3kqx h ILE 117 Cb 1.21 1.76 -0.02 0.00 -1.09 0.00 0.00 36.82 38.68 3kqx h ILE 117 CO 0.74 0.44 0.60 0.07 -1.08 0.00 0.00 178.15 178.92 3kqx h LYS 118 N 0.08 0.00 -0.00 2.19 -0.00 -1.93 0.97 116.57 117.88 3kqx h LYS 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3kqx h LYS 118 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.02 3kqx h LYS 118 CO 0.06 0.00 -0.04 0.41 -0.00 0.00 0.00 179.45 179.88 3kqx n GLY 119 N -1.55 -1.42 0.00 0.07 0.00 -1.13 -5.01 105.19 96.16 3kqx n GLY 119 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kqx n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 120 N 1.45 -1.99 3.73 -0.02 0.00 0.33 -4.95 105.19 103.75 3kqx n GLY 120 Ca 0.09 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 3kqx n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqx s ASN 122 N 0.38 7.22 -0.32 0.00 0.01 -1.26 -1.22 114.94 119.75 3kqx s ASN 122 Ca 0.10 1.45 0.01 0.00 -0.71 0.00 0.00 52.86 53.71 3kqx s ASN 122 Cb -0.11 -2.44 0.10 0.00 0.41 0.00 0.00 41.25 39.20 3kqx s ASN 122 CO -0.01 0.17 0.07 -0.69 -1.51 0.00 0.00 177.10 175.13 3kqx s VAL 123 N -0.77 1.54 0.00 1.60 1.01 -1.26 -4.95 120.40 117.56 3kqx s VAL 123 Ca 0.34 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.51 3kqx s VAL 123 Cb -0.21 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.04 3kqx s VAL 123 CO 0.23 -0.61 0.00 -0.62 0.00 0.00 0.00 175.10 174.10 3kqx n GLU 124 N 4.57 3.35 -3.82 2.72 1.02 -1.26 -4.91 120.64 122.32 3kqx n GLU 124 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 3kqx n GLU 124 Cb 0.42 -0.71 0.00 0.00 -0.02 0.00 0.00 31.44 31.14 3kqx n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kqx s GLU 125 N -0.88 1.37 2.52 3.49 -1.05 -1.26 -4.94 118.70 117.94 3kqx s GLU 125 Ca 0.00 -0.83 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 3kqx s GLU 125 Cb 0.00 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 3kqx s GLU 125 CO 0.00 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 175.99 3kqx n GLY 126 N -0.57 1.56 3.34 -3.83 0.00 -1.26 -4.68 105.19 99.75 3kqx n GLY 126 Ca -0.05 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3kqx n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqx s LEU 127 N 0.00 2.71 -0.22 0.99 2.96 -0.73 -2.48 118.68 121.90 3kqx s LEU 127 Ca 0.00 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3kqx s LEU 127 Cb 0.00 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 3kqx s LEU 127 CO 0.00 0.12 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.21 3kqx s THR 128 N 0.61 3.29 -0.19 3.68 2.01 -0.63 -0.65 115.64 123.76 3kqx s THR 128 Ca -0.07 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.35 3kqx s THR 128 Cb -0.15 -2.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 3kqx s THR 128 CO 0.03 0.41 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.66 3kqx s ILE 129 N 1.46 3.22 -0.10 1.82 -1.09 -0.09 -0.33 121.20 126.09 3kqx s ILE 129 Ca 0.05 -0.56 -0.21 0.00 -2.23 0.00 0.00 60.65 57.70 3kqx s ILE 129 Cb -0.14 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 3kqx s ILE 129 CO -0.04 0.46 0.62 -0.36 -1.23 0.00 0.00 174.94 174.39 3kqx s PHE 130 N 1.15 3.53 -0.36 3.97 0.40 -0.27 -0.23 117.98 126.16 3kqx s PHE 130 Ca 0.02 1.08 -0.20 0.00 -0.60 0.00 0.00 56.93 57.23 3kqx s PHE 130 Cb -0.14 -2.72 0.00 0.00 0.51 0.00 0.00 43.02 40.67 3kqx s PHE 130 CO -0.02 0.07 0.61 -0.51 0.70 0.00 0.00 175.22 176.08 3kqx s LEU 131 N 0.91 4.30 -0.03 -0.37 1.43 0.63 -1.56 118.68 123.99 3kqx s LEU 131 Ca 0.32 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 3kqx s LEU 131 Cb -0.17 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.32 3kqx s LEU 131 CO 0.14 -0.59 -0.09 -0.69 0.23 0.00 0.00 176.35 175.35 3kqx s VAL 132 N 2.66 0.82 0.40 -1.59 1.01 -1.03 -1.44 120.40 121.24 3kqx s VAL 132 Ca 0.23 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.86 3kqx s VAL 132 Cb -0.15 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 3kqx s VAL 132 CO 0.15 0.26 0.06 -0.46 0.00 0.00 0.00 175.10 175.11 3kqx n ASN 133 N 3.38 2.20 -3.30 3.32 0.23 -1.26 -0.83 115.26 118.99 3kqx n ASN 133 Ca -0.19 -2.92 -0.20 0.00 -0.53 0.00 0.00 54.58 50.75 3kqx n ASN 133 Cb 0.54 0.61 -0.08 0.00 -2.08 0.00 0.00 39.78 38.77 3kqx n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqx s ASN 134 N -3.31 1.12 0.01 0.53 3.84 -0.58 -4.82 114.94 111.73 3kqx s ASN 134 Ca 0.09 -2.12 -0.30 0.00 0.21 0.00 0.00 52.86 50.75 3kqx s ASN 134 Cb 0.00 0.33 -0.08 0.00 -0.55 0.00 0.00 41.25 40.95 3kqx s ASN 134 CO 0.06 -0.21 1.92 -2.84 -2.79 0.00 0.00 177.10 173.24 3kqx s PRO 135 N 0.91 4.12 0.00 0.43 0.02 -1.26 -2.49 135.00 136.72 3kqx s PRO 135 Ca 0.23 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.77 3kqx s PRO 135 Cb -0.09 -4.14 0.00 0.00 0.02 0.00 0.00 34.50 30.29 3kqx s PRO 135 CO -0.07 -0.97 0.00 0.41 -0.33 0.00 0.00 177.00 176.04 3kqx n GLY 136 N 4.51 2.83 3.52 0.52 0.00 -0.77 -5.00 105.19 110.79 3kqx n GLY 136 Ca 0.20 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 3kqx n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s LYS 137 N 0.00 3.28 0.14 1.61 -2.85 -1.04 -5.01 119.74 115.86 3kqx s LYS 137 Ca 0.00 -0.64 -0.31 0.00 -1.00 0.00 0.00 55.97 54.02 3kqx s LYS 137 Cb 0.00 -4.47 -0.10 0.00 -2.06 0.00 0.00 37.83 31.20 3kqx s LYS 137 CO 0.00 -2.07 1.68 -1.21 0.10 0.00 0.00 175.35 173.85 3kqx s GLU 138 N 5.03 4.18 -1.47 1.78 8.01 -1.26 -1.75 118.70 133.22 3kqx s GLU 138 Ca 0.34 2.45 -0.13 0.00 0.01 0.00 0.00 54.97 57.64 3kqx s GLU 138 Cb -0.08 -3.35 0.10 0.00 -4.31 0.00 0.00 34.13 26.49 3kqx s GLU 138 CO 0.08 -0.72 0.70 0.09 0.01 0.00 0.00 175.26 175.42 3kqx n ASN 139 N 4.77 -3.95 -4.29 -0.19 3.02 -1.26 -4.97 115.26 108.39 3kqx n ASN 139 Ca 0.16 -0.66 -0.29 0.00 -0.03 0.00 0.00 54.58 53.75 3kqx n ASN 139 Cb 0.38 -3.22 0.18 0.00 -0.61 0.00 0.00 39.78 36.51 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kqx s GLY 140 N -3.02 1.64 0.68 7.41 0.00 -0.72 -4.60 107.32 108.72 3kqx s GLY 140 Ca 0.57 -0.87 -0.13 0.00 0.00 0.00 0.00 44.72 44.29 3kqx s GLY 140 CO 0.70 -0.14 1.07 2.56 0.00 0.00 0.00 173.10 177.29 3kqx s PRO 141 N -5.51 2.84 0.01 2.90 0.04 -1.26 -1.88 135.00 132.14 3kqx s PRO 141 Ca 0.69 1.14 -0.30 0.00 0.04 0.00 0.00 61.00 62.57 3kqx s PRO 141 Cb -0.10 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 3kqx s PRO 141 CO 0.54 -1.19 1.13 0.08 0.04 0.00 0.00 177.00 177.61 3kqx s VAL 142 N -2.75 4.34 -0.06 -0.36 1.01 -0.94 -4.68 120.40 116.96 3kqx s VAL 142 Ca 0.62 1.67 -0.02 0.00 0.00 0.00 0.00 61.98 64.25 3kqx s VAL 142 Cb -0.16 -4.07 0.03 0.00 0.00 0.00 0.00 36.38 32.18 3kqx s VAL 142 CO 0.48 0.09 0.05 -0.54 0.00 0.00 0.00 175.10 175.18 3kqx s LYS 143 N 1.38 0.11 0.03 2.72 1.02 -1.26 -4.58 119.74 119.16 3kqx s LYS 143 Ca 0.56 0.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.50 3kqx s LYS 143 Cb -0.26 -0.77 -0.04 0.00 -0.52 0.00 0.00 37.83 36.24 3kqx s LYS 143 CO 0.26 -0.36 1.11 0.42 -0.92 0.00 0.00 175.35 175.86 3kqx s ILE 144 N 2.11 4.40 -0.54 2.17 -1.09 -1.26 -4.94 121.20 122.04 3kqx s ILE 144 Ca 0.05 1.72 0.19 0.00 -2.23 0.00 0.00 60.65 60.37 3kqx s ILE 144 Cb -0.13 -4.10 -0.24 0.00 -1.58 0.00 0.00 42.46 36.41 3kqx s ILE 144 CO -0.04 0.12 0.64 -1.54 -1.23 0.00 0.00 174.94 172.89 3kqx n SER 145 N 4.01 0.78 -4.85 3.58 3.41 -1.26 -5.00 113.62 114.29 3kqx n SER 145 Ca 0.08 -0.57 -0.32 0.00 -0.26 0.00 0.00 58.87 57.80 3kqx n SER 145 Cb 0.48 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.75 3kqx n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kqx s SER 146 N -3.32 6.55 0.25 4.04 0.01 -1.26 -5.04 113.70 114.92 3kqx s SER 146 Ca 0.02 1.52 -0.29 0.00 1.31 0.00 0.00 55.95 58.50 3kqx s SER 146 Cb 0.13 -2.49 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 3kqx s SER 146 CO 0.78 -0.63 0.94 -1.59 0.41 0.00 0.00 173.24 173.14 3kqx s LYS 147 N -4.27 4.82 -0.13 12.44 0.00 -1.26 -5.00 119.74 126.34 3kqx s LYS 147 Ca 0.58 1.46 0.03 0.00 0.00 0.00 0.00 55.97 58.04 3kqx s LYS 147 Cb -0.10 -3.22 0.01 0.00 0.00 0.00 0.00 37.83 34.52 3kqx s LYS 147 CO 0.35 0.49 -0.22 0.08 0.00 0.00 0.00 175.35 176.05 3kqx s VAL 148 N -1.23 2.03 -1.08 1.79 1.01 -1.26 -1.26 120.40 120.40 3kqx s VAL 148 Ca 0.42 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3kqx s VAL 148 Cb -0.25 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.41 3kqx s VAL 148 CO 0.31 0.55 2.58 0.59 0.00 0.00 0.00 175.10 179.13 3kqx n ASN 149 N 3.96 7.61 -3.57 3.32 3.02 -0.36 -4.74 115.26 124.50 3kqx n ASN 149 Ca -0.20 -3.08 -0.01 0.00 -0.03 0.00 0.00 54.58 51.26 3kqx n ASN 149 Cb 0.52 -1.35 -0.04 0.00 -0.61 0.00 0.00 39.78 38.30 3kqx n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kqx s ASP 150 N 0.58 -0.93 0.09 6.41 2.15 -1.26 -4.79 116.67 118.92 3kqx s ASP 150 Ca 0.57 1.29 -0.25 0.00 0.43 0.00 0.00 52.55 54.60 3kqx s ASP 150 Cb 0.24 2.02 -0.14 0.00 -0.30 0.00 0.00 42.92 44.74 3kqx s ASP 150 CO -0.12 -0.18 1.71 0.07 -0.17 0.00 0.00 175.17 176.48 3kqx h LYS 151 N 7.73 -0.18 0.11 4.34 2.10 -1.98 -1.83 116.57 126.86 3kqx h LYS 151 Ca -0.18 0.01 0.02 0.00 -2.00 0.00 0.00 60.65 58.50 3kqx h LYS 151 Cb 1.11 0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.45 3kqx h LYS 151 CO 0.10 -0.12 -0.24 1.96 -2.00 0.00 0.00 179.45 179.15 3kqx h GLN 152 N -0.18 -0.42 -0.48 0.07 1.08 -1.91 -0.54 115.11 112.72 3kqx h GLN 152 Ca -0.00 0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3kqx h GLN 152 Cb 0.16 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3kqx h GLN 152 CO -0.01 -0.28 0.20 0.28 -0.95 0.00 0.00 178.83 178.07 3kqx h VAL 153 N -0.44 1.21 -0.88 -0.54 2.07 -1.82 -0.99 116.25 114.86 3kqx h VAL 153 Ca 0.03 -0.64 0.17 0.00 0.82 0.00 0.00 66.70 67.08 3kqx h VAL 153 Cb 0.47 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 30.87 3kqx h VAL 153 CO -0.15 0.24 0.45 0.28 0.02 0.00 0.00 177.57 178.42 3kqx h SER 154 N 0.64 0.52 -0.38 0.57 0.02 -1.24 -0.92 113.55 112.75 3kqx h SER 154 Ca 0.16 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 3kqx h SER 154 Cb 0.19 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3kqx h SER 154 CO -0.01 0.18 0.12 -0.33 -1.14 0.00 0.00 176.83 175.64 3kqx h GLU 155 N 0.59 0.60 -0.28 3.45 5.08 0.17 -2.67 114.58 121.53 3kqx h GLU 155 Ca 0.50 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.70 3kqx h GLU 155 Cb 0.78 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3kqx h GLU 155 CO -0.40 0.61 0.03 0.35 -1.00 0.00 0.00 179.01 178.60 3kqx h PHE 156 N 0.47 0.41 -0.28 4.33 3.57 -0.60 -2.89 116.94 121.94 3kqx h PHE 156 Ca 0.12 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3kqx h PHE 156 Cb 0.26 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3kqx h PHE 156 CO 0.01 0.39 0.00 1.28 -2.23 0.00 0.00 178.31 177.76 3kqx n LEU 157 N -4.35 1.89 -4.59 0.59 4.77 -0.42 -4.72 117.00 110.17 3kqx n LEU 157 Ca 0.01 -0.88 -0.38 0.00 -0.03 0.00 0.00 56.01 54.73 3kqx n LEU 157 Cb 0.19 -0.19 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3kqx n LEU 157 CO 0.37 0.44 0.46 0.29 -1.33 0.00 0.00 177.39 177.62 3kqx n LYS 158 N 0.50 0.87 -0.17 3.23 4.01 -1.09 -4.64 118.16 120.86 3kqx n LYS 158 Ca 0.14 0.33 -0.02 0.00 -0.51 0.00 0.00 58.31 58.26 3kqx n LYS 158 Cb 0.33 -2.07 0.08 0.00 -0.51 0.00 0.00 35.03 32.85 3kqx n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3kqx h ASP 159 N 0.54 0.15 -0.95 4.39 3.45 -1.92 -0.70 116.42 121.38 3kqx h ASP 159 Ca -0.48 0.07 0.20 0.00 0.43 0.00 0.00 57.03 57.26 3kqx h ASP 159 Cb 1.37 0.06 -0.11 0.00 -0.56 0.00 0.00 39.33 40.09 3kqx h ASP 159 CO 0.51 0.11 0.52 -0.33 -1.57 0.00 0.00 179.24 178.48 3kqx h GLU 160 N 0.34 0.58 -0.02 3.56 3.07 -1.96 -1.52 114.58 118.64 3kqx h GLU 160 Ca 0.26 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.95 3kqx h GLU 160 Cb 0.30 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.07 3kqx h GLU 160 CO -0.28 0.38 -0.63 -0.91 -1.40 0.00 0.00 179.01 176.18 3kqx h ASN 161 N 0.60 0.08 0.37 1.42 2.35 -1.43 -3.25 115.58 115.72 3kqx h ASN 161 Ca 0.57 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 3kqx h ASN 161 Cb 0.98 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3kqx h ASN 161 CO -0.44 0.69 -0.52 0.23 -1.65 0.00 0.00 177.43 175.74 3kqx n MET 162 N -3.81 0.19 0.16 0.81 2.81 -0.64 -4.42 117.12 112.21 3kqx n MET 162 Ca -0.02 -0.12 0.04 0.00 -1.81 0.00 0.00 57.70 55.79 3kqx n MET 162 Cb 0.63 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.82 3kqx n MET 162 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3kqx h GLU 163 N 0.29 0.00 0.00 0.03 4.11 -1.41 -0.20 114.58 117.39 3kqx h GLU 163 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kqx h GLU 163 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kqx h GLU 163 CO 0.00 0.47 0.11 0.36 0.07 0.00 0.00 179.01 180.02 3kqx n LYS 164 N -3.38 0.08 -4.41 1.06 2.85 -1.26 -4.77 118.16 108.33 3kqx n LYS 164 Ca 0.01 0.55 -0.31 0.00 -1.05 0.00 0.00 58.31 57.51 3kqx n LYS 164 Cb 0.63 -1.89 -0.10 0.00 -0.65 0.00 0.00 35.03 33.02 3kqx n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kqx s PHE 165 N -3.27 2.80 0.44 5.58 2.99 -0.09 -5.09 117.98 121.35 3kqx s PHE 165 Ca -0.01 -0.11 0.04 0.00 0.00 0.00 0.00 56.93 56.85 3kqx s PHE 165 Cb 0.04 -1.53 -0.04 0.00 0.00 0.00 0.00 43.02 41.48 3kqx s PHE 165 CO 0.12 0.37 0.03 0.54 -0.00 0.00 0.00 175.22 176.27 3kqx s ASN 166 N -1.68 3.69 -0.07 1.36 2.20 -1.26 -2.22 114.94 116.95 3kqx s ASN 166 Ca 0.18 -1.53 0.20 0.00 -0.94 0.00 0.00 52.86 50.78 3kqx s ASN 166 Cb -0.11 0.14 0.71 0.00 -2.00 0.00 0.00 41.25 39.99 3kqx s ASN 166 CO 0.09 -0.70 1.61 1.33 -2.94 0.00 0.00 177.10 176.50 3kqx n VAL 167 N -1.06 1.55 -1.55 3.54 0.24 -0.79 -4.76 118.33 115.50 3kqx n VAL 167 Ca -0.11 -1.12 -0.49 0.00 -2.04 0.00 0.00 64.34 60.58 3kqx n VAL 167 Cb 0.67 0.26 -0.04 0.00 -1.47 0.00 0.00 33.84 33.25 3kqx n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqx n LYS 168 N 1.36 0.97 -1.67 7.34 4.81 -1.26 -0.49 118.16 129.21 3kqx n LYS 168 Ca 0.26 0.34 -0.47 0.00 -0.87 0.00 0.00 58.31 57.57 3kqx n LYS 168 Cb 0.81 -1.77 -0.04 0.00 0.02 0.00 0.00 35.03 34.05 3kqx n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqx n LEU 169 N 1.87 3.20 0.00 3.14 0.00 -1.26 -1.36 117.00 122.58 3kqx n LEU 169 Ca 0.15 1.04 0.00 0.00 0.00 0.00 0.00 56.01 57.20 3kqx n LEU 169 Cb 0.24 -1.39 0.00 0.00 0.00 0.00 0.00 43.42 42.27 3kqx n LEU 169 CO 0.60 -0.21 0.00 0.61 0.00 0.00 0.00 177.39 178.39 3kqx n GLY 170 N 3.83 1.67 3.80 -3.96 0.00 -0.31 -4.97 105.19 105.25 3kqx n GLY 170 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3kqx n GLY 170 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kqx s THR 171 N -2.56 3.84 0.13 2.61 -1.32 -0.47 -4.76 115.64 113.11 3kqx s THR 171 Ca 0.00 1.12 -0.12 0.00 -1.21 0.00 0.00 61.69 61.48 3kqx s THR 171 Cb 0.00 -3.46 0.01 0.00 -1.51 0.00 0.00 72.50 67.55 3kqx s THR 171 CO 0.00 -0.27 0.32 -0.94 -2.21 0.00 0.00 174.62 171.52 3kqx s SER 172 N -2.07 -0.06 0.04 8.08 1.04 -1.26 -0.21 113.70 119.25 3kqx s SER 172 Ca 0.67 -0.56 -0.07 0.00 0.48 0.00 0.00 55.95 56.46 3kqx s SER 172 Cb -0.16 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.39 3kqx s SER 172 CO 0.21 -0.84 0.14 -0.54 0.98 0.00 0.00 173.24 173.18 3kqx s LYS 173 N -3.87 0.62 -0.03 4.02 3.01 -1.00 -5.00 119.74 117.50 3kqx s LYS 173 Ca 0.07 -0.69 0.07 0.00 -1.01 0.00 0.00 55.97 54.41 3kqx s LYS 173 Cb 0.03 0.25 -0.02 0.00 -1.01 0.00 0.00 37.83 37.08 3kqx s LYS 173 CO -0.08 -0.17 -0.25 -1.01 0.51 0.00 0.00 175.35 174.35 3kqx s HIS 174 N -2.55 2.30 0.12 3.18 3.76 -1.26 -2.18 115.29 118.66 3kqx s HIS 174 Ca -0.05 -0.53 0.07 0.00 -0.15 0.00 0.00 55.06 54.40 3kqx s HIS 174 Cb -0.01 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 3kqx s HIS 174 CO -0.04 -0.10 -0.17 -0.06 -0.85 0.00 0.00 174.74 173.52 3kqx s PHE 175 N -0.43 1.59 -0.06 1.40 2.99 0.13 -4.99 117.98 118.62 3kqx s PHE 175 Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 56.93 56.52 3kqx s PHE 175 Cb -0.11 -0.84 0.01 0.00 0.00 0.00 0.00 43.02 42.09 3kqx s PHE 175 CO 0.01 0.20 -0.11 -0.47 -0.00 0.00 0.00 175.22 174.85 3kqx s TYR 176 N -1.75 1.31 0.35 0.36 5.04 -1.26 -1.60 117.35 119.79 3kqx s TYR 176 Ca 0.09 -0.46 -0.11 0.00 -2.44 0.00 0.00 57.07 54.14 3kqx s TYR 176 Cb -0.07 -0.98 0.03 0.00 0.35 0.00 0.00 41.96 41.29 3kqx s TYR 176 CO 0.04 -0.25 0.64 0.00 -1.34 0.00 0.00 175.55 174.64 3kqx s MET 177 N 0.69 2.01 -0.17 4.97 0.23 -0.70 -5.01 119.30 121.32 3kqx s MET 177 Ca -0.14 -1.50 -0.04 0.00 -1.03 0.00 0.00 55.69 52.99 3kqx s MET 177 Cb -0.15 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 3kqx s MET 177 CO 0.03 -0.89 -0.03 -0.06 -2.03 0.00 0.00 175.02 172.04 3kqx s PHE 178 N -2.90 3.03 0.21 3.16 0.08 -1.26 -0.35 117.98 119.94 3kqx s PHE 178 Ca 0.21 -0.33 -0.04 0.00 0.12 0.00 0.00 56.93 56.89 3kqx s PHE 178 Cb -0.03 -1.99 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 3kqx s PHE 178 CO 0.14 -0.08 0.26 0.27 -0.10 0.00 0.00 175.22 175.71 3kqx n ASN 179 N 3.69 -0.27 0.24 1.36 0.23 -0.57 -4.65 115.26 115.29 3kqx n ASN 179 Ca -0.17 -0.99 0.08 0.00 -0.53 0.00 0.00 54.58 52.97 3kqx n ASN 179 Cb 0.52 -0.20 0.59 0.00 -2.08 0.00 0.00 39.78 38.61 3kqx n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kqx h ASP 180 N -0.58 0.00 -0.19 0.53 3.32 -1.92 -1.48 116.42 116.10 3kqx h ASP 180 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3kqx h ASP 180 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3kqx h ASP 180 CO 0.06 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 178.31 3kqx n ASN 181 N -4.16 1.86 -4.17 6.45 3.02 -1.26 -4.90 115.26 112.11 3kqx n ASN 181 Ca -0.02 -2.16 -0.30 0.00 -0.03 0.00 0.00 54.58 52.07 3kqx n ASN 181 Cb 0.22 -0.38 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 3kqx n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqx n LYS 182 N 0.16 -2.21 -4.97 3.52 2.85 -0.56 -4.99 118.16 111.96 3kqx n LYS 182 Ca 0.08 0.26 -0.32 0.00 -1.05 0.00 0.00 58.31 57.28 3kqx n LYS 182 Cb 0.38 -4.25 -0.14 0.00 -0.65 0.00 0.00 35.03 30.37 3kqx n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqx s ASN 183 N -4.17 3.71 0.34 -5.58 0.02 -1.26 -4.89 114.94 103.11 3kqx s ASN 183 Ca 0.15 -0.31 -0.28 0.00 -1.02 0.00 0.00 52.86 51.40 3kqx s ASN 183 Cb -0.09 -0.66 -0.10 0.00 0.02 0.00 0.00 41.25 40.42 3kqx s ASN 183 CO 0.95 0.32 1.26 -0.94 0.02 0.00 0.00 177.10 178.71 3kqx s SER 184 N -0.81 6.79 -0.06 -1.22 1.04 -1.26 -1.51 113.70 116.66 3kqx s SER 184 Ca 0.12 2.59 -0.07 0.00 0.48 0.00 0.00 55.95 59.06 3kqx s SER 184 Cb -0.10 -2.64 0.02 0.00 0.10 0.00 0.00 66.02 63.39 3kqx s SER 184 CO 0.01 -0.51 0.19 0.54 0.98 0.00 0.00 173.24 174.44 3kqx s VAL 185 N -1.18 0.01 -0.12 5.02 0.11 0.52 -4.78 120.40 119.98 3kqx s VAL 185 Ca 0.50 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.43 3kqx s VAL 185 Cb -0.37 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3kqx s VAL 185 CO 0.49 -0.04 0.04 0.00 -3.33 0.00 0.00 175.10 172.27 3kqx s ALA 186 N -0.06 3.44 0.05 1.54 0.00 -1.04 -1.72 121.76 123.97 3kqx s ALA 186 Ca -0.02 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3kqx s ALA 186 Cb -0.02 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.39 3kqx s ALA 186 CO 0.00 0.50 -0.06 0.08 0.00 0.00 0.00 175.76 176.29 3kqx s VAL 187 N -0.62 0.43 0.24 0.00 1.01 -0.63 -1.60 120.40 119.24 3kqx s VAL 187 Ca 0.11 -1.34 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 3kqx s VAL 187 Cb -0.12 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.43 3kqx s VAL 187 CO 0.02 -0.60 0.94 -0.83 0.00 0.00 0.00 175.10 174.63 3kqx s GLY 188 N -2.07 0.13 0.07 4.51 0.00 0.55 0.22 107.32 110.72 3kqx s GLY 188 Ca -0.04 -0.38 -0.07 0.00 0.00 0.00 0.00 44.72 44.22 3kqx s GLY 188 CO -0.03 1.20 0.15 -2.52 0.00 0.00 0.00 173.10 171.90 3kqx s TYR 189 N -2.44 0.18 -0.07 1.90 1.13 -0.93 -1.11 117.35 116.01 3kqx s TYR 189 Ca 0.18 -0.57 0.05 0.00 -1.41 0.00 0.00 57.07 55.32 3kqx s TYR 189 Cb -0.03 -0.11 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 3kqx s TYR 189 CO 0.07 -0.48 -0.22 0.08 -2.51 0.00 0.00 175.55 172.49 3kqx s VAL 190 N -3.45 2.31 0.06 -3.49 1.01 -0.60 -2.37 120.40 113.87 3kqx s VAL 190 Ca 0.02 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 3kqx s VAL 190 Cb 0.03 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3kqx s VAL 190 CO -0.09 0.57 0.88 -0.83 0.00 0.00 0.00 175.10 175.63 3kqx s GLY 191 N -0.15 2.89 -0.13 4.51 0.00 0.70 -2.45 107.32 112.69 3kqx s GLY 191 Ca -0.03 0.44 0.15 0.00 0.00 0.00 0.00 44.72 45.28 3kqx s GLY 191 CO 0.04 1.34 1.39 0.00 0.00 0.00 0.00 173.10 175.86 3kqx n GLY 193 N -0.16 -1.63 0.02 0.00 0.00 0.36 -4.65 105.19 99.13 3kqx n GLY 193 Ca 0.19 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3kqx n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqx n SER 194 N 0.06 0.49 -4.47 1.61 3.41 -1.26 -1.53 113.62 111.92 3kqx n SER 194 Ca 0.00 -0.74 -0.43 0.00 -0.26 0.00 0.00 58.87 57.44 3kqx n SER 194 Cb 0.00 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 64.43 3kqx n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqx s VAL 195 N -0.65 5.15 -1.00 -3.33 1.01 -1.26 -1.85 120.40 118.47 3kqx s VAL 195 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.47 3kqx s VAL 195 Cb 0.01 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.37 3kqx s VAL 195 CO 0.03 -0.41 0.84 0.00 0.00 0.00 0.00 175.10 175.55 3kqx n ALA 196 N 5.45 0.93 -3.74 5.51 0.00 -1.26 -4.21 120.51 123.18 3kqx n ALA 196 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.01 3kqx n ALA 196 Cb 0.47 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.93 3kqx n ALA 196 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kqx s ASP 197 N -2.68 4.94 -0.14 0.00 3.84 -1.26 -4.71 116.67 116.67 3kqx s ASP 197 Ca 0.00 -1.57 -0.22 0.00 -0.00 0.00 0.00 52.55 50.76 3kqx s ASP 197 Cb 0.00 -1.72 -0.03 0.00 -1.38 0.00 0.00 42.92 39.79 3kqx s ASP 197 CO 0.00 -0.34 0.67 -0.76 -0.00 0.00 0.00 175.17 174.74 3kqx s LEU 198 N 1.18 4.22 1.07 2.11 1.43 -1.26 -5.06 118.68 122.37 3kqx s LEU 198 Ca -0.00 1.01 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 3kqx s LEU 198 Cb -0.20 -2.99 0.23 0.00 0.03 0.00 0.00 46.19 43.25 3kqx s LEU 198 CO -0.03 -0.21 1.11 -0.94 0.23 0.00 0.00 176.35 176.51 3kqx s SER 199 N 1.00 2.01 0.24 2.29 1.04 -1.26 -4.79 113.70 114.23 3kqx s SER 199 Ca 0.33 0.93 -0.05 0.00 0.48 0.00 0.00 55.95 57.63 3kqx s SER 199 Cb -0.16 -1.41 0.32 0.00 0.10 0.00 0.00 66.02 64.86 3kqx s SER 199 CO 0.13 -3.48 1.87 -0.08 0.98 0.00 0.00 173.24 172.66 3kqx h GLU 200 N -2.14 1.05 -0.08 4.02 4.22 -1.97 -0.80 114.58 118.88 3kqx h GLU 200 Ca -0.51 -0.06 -0.14 0.00 0.08 0.00 0.00 59.36 58.73 3kqx h GLU 200 Cb 1.32 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3kqx h GLU 200 CO 0.49 0.69 -0.58 0.00 -2.18 0.00 0.00 179.01 177.43 3kqx h ALA 201 N 1.40 0.88 -0.09 2.92 0.00 -1.95 -1.70 119.26 120.72 3kqx h ALA 201 Ca 0.38 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3kqx h ALA 201 Cb 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kqx h ALA 201 CO -0.15 0.71 0.02 -0.44 0.00 0.00 0.00 179.25 179.39 3kqx h ASP 202 N 0.18 0.13 0.01 0.00 3.32 -1.74 -2.34 116.42 115.98 3kqx h ASP 202 Ca -0.00 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 3kqx h ASP 202 Cb 1.07 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3kqx h ASP 202 CO 0.09 0.34 -0.14 -0.03 -1.72 0.00 0.00 179.24 177.78 3kqx h MET 203 N -0.08 0.27 -0.80 3.56 4.05 -1.05 -1.08 114.93 119.81 3kqx h MET 203 Ca 0.03 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.36 3kqx h MET 203 Cb 0.26 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 3kqx h MET 203 CO 0.00 0.41 0.40 -0.22 0.23 0.00 0.00 176.91 177.74 3kqx h LYS 204 N 0.26 1.15 -0.51 0.39 1.63 -1.15 -0.67 116.57 117.66 3kqx h LYS 204 Ca 0.05 -0.16 -0.11 0.00 -0.85 0.00 0.00 60.65 59.58 3kqx h LYS 204 Cb 0.40 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 3kqx h LYS 204 CO 0.02 0.88 -0.11 0.00 -3.45 0.00 0.00 179.45 176.79 3kqx h ARG 205 N 1.13 0.96 -0.04 1.90 3.08 -0.67 -0.91 114.38 119.83 3kqx h ARG 205 Ca 0.28 -0.35 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kqx h ARG 205 Cb 0.09 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3kqx h ARG 205 CO -0.04 1.01 0.03 0.28 -1.07 0.00 0.00 179.97 180.18 3kqx h VAL 206 N 0.86 1.04 -0.47 2.04 2.07 -1.00 -2.02 116.25 118.77 3kqx h VAL 206 Ca 0.14 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3kqx h VAL 206 Cb 0.66 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3kqx h VAL 206 CO 0.05 0.04 0.27 0.58 0.02 0.00 0.00 177.57 178.52 3kqx h VAL 207 N 0.02 1.16 -0.50 2.57 2.07 -0.91 -2.06 116.25 118.59 3kqx h VAL 207 Ca 0.02 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.22 3kqx h VAL 207 Cb 0.04 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.31 3kqx h VAL 207 CO -0.00 0.16 0.17 -0.07 0.02 0.00 0.00 177.57 177.85 3kqx h LEU 208 N 0.62 0.16 -0.91 2.57 4.07 -1.04 0.33 115.31 121.11 3kqx h LEU 208 Ca 0.17 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 3kqx h LEU 208 Cb 0.02 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 3kqx h LEU 208 CO -0.03 0.12 0.29 0.28 -1.08 0.00 0.00 178.44 178.02 3kqx h SER 209 N 0.34 0.99 -0.53 -0.43 0.02 -1.10 -1.75 113.55 111.09 3kqx h SER 209 Ca 0.24 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3kqx h SER 209 Cb 0.26 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3kqx h SER 209 CO -0.25 0.88 0.30 0.25 -1.14 0.00 0.00 176.83 176.87 3kqx h LEU 210 N 1.05 0.66 -1.37 5.07 5.85 -0.55 -2.65 115.31 123.37 3kqx h LEU 210 Ca 0.24 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3kqx h LEU 210 Cb 0.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3kqx h LEU 210 CO -0.02 0.56 -0.13 0.58 -0.34 0.00 0.00 178.44 179.09 3kqx h VAL 211 N 0.72 1.18 -0.03 1.05 2.07 -0.12 -1.11 116.25 120.01 3kqx h VAL 211 Ca 0.19 -0.81 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3kqx h VAL 211 Cb 0.04 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kqx h VAL 211 CO -0.03 0.25 -0.12 0.71 0.02 0.00 0.00 177.57 178.41 3kqx h THR 212 N 0.24 1.10 0.00 2.57 1.35 -0.96 -1.26 112.91 115.95 3kqx h THR 212 Ca 0.05 -0.46 -0.05 0.00 -0.55 0.00 0.00 66.41 65.40 3kqx h THR 212 Cb 0.39 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3kqx h THR 212 CO 0.02 0.13 -0.25 0.24 -0.25 0.00 0.00 175.52 175.42 3kqx h MET 213 N 0.04 0.00 0.00 4.72 2.07 -1.06 -3.22 114.93 117.48 3kqx h MET 213 Ca 0.01 0.00 -0.19 0.00 -2.07 0.00 0.00 59.70 57.45 3kqx h MET 213 Cb 0.23 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.93 3kqx h MET 213 CO 0.02 0.25 -1.26 -0.07 1.07 0.00 0.00 176.91 176.92 3kqx h LEU 214 N 0.00 0.00 -9.96 1.22 3.38 -1.09 -3.43 115.31 105.43 3kqx h LEU 214 Ca -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 3kqx h LEU 214 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3kqx h LEU 214 CO 0.03 0.72 0.36 -1.00 0.09 0.00 0.00 178.44 178.64 3kqx s HIS 215 N -2.82 3.49 -1.72 1.13 3.76 -0.76 -3.53 115.29 114.84 3kqx s HIS 215 Ca -0.02 1.70 0.00 0.00 -0.15 0.00 0.00 55.06 56.60 3kqx s HIS 215 Cb 0.08 -2.94 0.00 0.00 1.11 0.00 0.00 32.58 30.84 3kqx s HIS 215 CO 0.80 -0.06 0.00 -0.25 -0.85 0.00 0.00 174.74 174.39 3kqx n ASP 216 N 0.05 -5.44 -3.98 1.40 9.92 -1.26 -4.96 116.55 112.27 3kqx n ASP 216 Ca 0.04 0.11 -0.11 0.00 -0.53 0.00 0.00 54.79 54.31 3kqx n ASP 216 Cb 0.51 -4.60 -0.12 0.00 -0.64 0.00 0.00 41.12 36.28 3kqx n ASP 216 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kqx s ASN 217 N -2.16 0.36 -0.31 -2.24 3.84 -1.23 -5.13 114.94 108.07 3kqx s ASN 217 Ca 0.00 -0.43 -0.10 0.00 0.21 0.00 0.00 52.86 52.55 3kqx s ASN 217 Cb 0.00 0.06 -0.01 0.00 -0.55 0.00 0.00 41.25 40.76 3kqx s ASN 217 CO 0.00 -0.22 0.16 -0.54 -2.79 0.00 0.00 177.10 173.71 3kqx s LYS 218 N -1.23 3.32 0.00 0.43 3.01 -1.26 -4.82 119.74 119.20 3kqx s LYS 218 Ca -0.12 -0.73 0.00 0.00 -1.01 0.00 0.00 55.97 54.12 3kqx s LYS 218 Cb -0.08 -3.59 -0.00 0.00 -1.01 0.00 0.00 37.83 33.15 3kqx s LYS 218 CO -0.01 -0.43 -0.02 -0.51 0.51 0.00 0.00 175.35 174.90 3kqx s LEU 219 N 1.62 2.03 0.09 3.17 1.43 -1.26 -5.04 118.68 120.71 3kqx s LEU 219 Ca 0.05 -0.07 0.20 0.00 -1.03 0.00 0.00 54.13 53.27 3kqx s LEU 219 Cb -0.17 -0.06 -0.11 0.00 0.03 0.00 0.00 46.19 45.88 3kqx s LEU 219 CO 0.06 -0.01 0.83 -1.54 0.23 0.00 0.00 176.35 175.92 3kqx n SER 220 N 2.90 0.72 -3.75 2.29 3.41 -1.26 -3.56 113.62 114.37 3kqx n SER 220 Ca -0.13 0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.65 3kqx n SER 220 Cb 0.59 0.52 -0.13 0.00 -0.26 0.00 0.00 64.21 64.93 3kqx n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kqx s LYS 221 N -3.14 0.21 -0.09 4.33 2.20 -1.26 -0.61 119.74 121.39 3kqx s LYS 221 Ca -0.03 0.46 0.02 0.00 -0.36 0.00 0.00 55.97 56.06 3kqx s LYS 221 Cb 0.09 -0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3kqx s LYS 221 CO 0.82 -0.13 -0.15 -1.17 -0.36 0.00 0.00 175.35 174.36 3kqx s LEU 222 N 0.94 2.67 0.02 5.43 2.96 -0.85 -1.78 118.68 128.08 3kqx s LEU 222 Ca -0.07 -0.28 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 3kqx s LEU 222 Cb -0.08 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 45.02 3kqx s LEU 222 CO -0.06 0.25 -0.23 0.28 -1.32 0.00 0.00 176.35 175.27 3kqx s THR 223 N -0.18 1.86 -0.10 3.68 -1.32 0.17 -1.22 115.64 118.54 3kqx s THR 223 Ca -0.00 -1.17 0.03 0.00 -1.21 0.00 0.00 61.69 59.33 3kqx s THR 223 Cb -0.13 -1.58 0.01 0.00 -1.51 0.00 0.00 72.50 69.28 3kqx s THR 223 CO 0.03 0.37 -0.20 -0.69 -2.21 0.00 0.00 174.62 171.92 3kqx s VAL 224 N -0.70 1.77 -0.31 5.08 1.01 0.77 -0.91 120.40 127.11 3kqx s VAL 224 Ca 0.09 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 3kqx s VAL 224 Cb -0.09 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3kqx s VAL 224 CO 0.01 0.50 0.08 -0.69 0.00 0.00 0.00 175.10 174.99 3kqx s VAL 225 N 0.58 3.82 -0.56 2.92 1.01 0.68 -0.93 120.40 127.91 3kqx s VAL 225 Ca -0.14 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 3kqx s VAL 225 Cb -0.17 -3.03 0.03 0.00 0.00 0.00 0.00 36.38 33.21 3kqx s VAL 225 CO 0.05 -0.00 1.24 -0.36 0.00 0.00 0.00 175.10 176.02 3kqx s PHE 226 N 1.45 2.55 -0.38 5.22 0.40 -0.80 -0.27 117.98 126.15 3kqx s PHE 226 Ca 0.01 0.46 0.06 0.00 -0.60 0.00 0.00 56.93 56.86 3kqx s PHE 226 Cb -0.18 -4.48 0.56 0.00 0.51 0.00 0.00 43.02 39.43 3kqx s PHE 226 CO 0.02 -1.65 1.66 0.39 0.70 0.00 0.00 175.22 176.34 3kqx n GLU 227 N 8.43 2.12 -4.35 0.44 1.02 -0.52 -4.74 120.64 123.04 3kqx n GLU 227 Ca 0.10 -3.18 -0.18 0.00 -0.02 0.00 0.00 57.16 53.88 3kqx n GLU 227 Cb 0.49 -2.00 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 3kqx n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kqx s ILE 228 N -3.44 1.14 -0.26 -3.67 -4.36 -1.24 -4.45 121.20 104.92 3kqx s ILE 228 Ca 0.51 -2.05 -0.10 0.00 -0.26 0.00 0.00 60.65 58.75 3kqx s ILE 228 Cb 0.44 -2.39 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 3kqx s ILE 228 CO 0.04 -0.30 0.15 0.21 0.24 0.00 0.00 174.94 175.28 3kqx s ASN 229 N -3.34 5.86 0.00 4.36 3.84 -1.26 -5.01 114.94 119.39 3kqx s ASN 229 Ca 0.29 -0.01 0.02 0.00 0.21 0.00 0.00 52.86 53.37 3kqx s ASN 229 Cb 0.06 -2.07 -0.01 0.00 -0.55 0.00 0.00 41.25 38.68 3kqx s ASN 229 CO 0.10 -0.00 -0.05 0.68 -2.79 0.00 0.00 177.10 175.03 3kqx s VAL 230 N 1.47 0.42 1.05 -5.21 -7.23 -1.26 -4.84 120.40 104.80 3kqx s VAL 230 Ca 0.07 -0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 59.77 3kqx s VAL 230 Cb -0.15 -0.37 0.23 0.00 0.56 0.00 0.00 36.38 36.65 3kqx s VAL 230 CO 0.07 0.07 1.23 1.51 -0.31 0.00 0.00 175.10 177.67 3kqx s ASP 231 N -0.25 2.32 0.22 4.85 3.84 -1.26 -4.79 116.67 121.59 3kqx s ASP 231 Ca 0.01 0.45 -0.09 0.00 -0.00 0.00 0.00 52.55 52.92 3kqx s ASP 231 Cb -0.03 -0.61 0.18 0.00 -1.38 0.00 0.00 42.92 41.08 3kqx s ASP 231 CO -0.00 -3.24 1.89 0.11 -0.00 0.00 0.00 175.17 173.92 3kqx h LYS 232 N -1.99 1.07 -0.34 2.11 1.57 -1.99 -1.65 116.57 115.35 3kqx h LYS 232 Ca -0.45 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.21 3kqx h LYS 232 Cb 1.26 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3kqx h LYS 232 CO 0.38 0.71 -0.01 -0.91 -0.57 0.00 0.00 179.45 179.06 3kqx h ASN 233 N 1.10 0.50 0.81 0.86 2.35 -1.92 -1.37 115.58 117.91 3kqx h ASN 233 Ca 0.30 -0.10 -0.24 0.00 -0.55 0.00 0.00 56.30 55.71 3kqx h ASN 233 Cb -0.12 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3kqx h ASN 233 CO -0.06 0.58 -1.17 0.25 -1.65 0.00 0.00 177.43 175.38 3kqx h LEU 234 N 0.51 0.14 -0.53 1.61 5.85 -1.84 -0.28 115.31 120.78 3kqx h LEU 234 Ca 0.11 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3kqx h LEU 234 Cb 0.35 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3kqx h LEU 234 CO 0.01 1.13 0.13 0.15 -0.34 0.00 0.00 178.44 179.52 3kqx h PHE 235 N 0.03 0.89 -0.40 1.25 3.57 -1.11 0.39 116.94 121.57 3kqx h PHE 235 Ca -0.09 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3kqx h PHE 235 Cb 1.87 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 40.34 3kqx h PHE 235 CO 0.02 0.78 0.14 -0.09 -2.23 0.00 0.00 178.31 176.93 3kqx h ARG 236 N 0.74 0.61 -0.88 1.11 2.43 -1.14 -2.54 114.38 114.71 3kqx h ARG 236 Ca 0.17 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.29 3kqx h ARG 236 Cb 0.34 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 3kqx h ARG 236 CO 0.00 0.60 0.54 0.35 -1.51 0.00 0.00 179.97 179.95 3kqx h PHE 237 N 0.50 0.98 -0.10 2.20 3.57 -0.86 -0.35 116.94 122.89 3kqx h PHE 237 Ca 0.13 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.70 3kqx h PHE 237 Cb 0.24 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 3kqx h PHE 237 CO 0.01 0.45 -0.28 0.35 -2.23 0.00 0.00 178.31 176.60 3kqx h PHE 238 N 0.93 -0.77 0.07 0.41 3.57 -0.63 -1.44 116.94 119.08 3kqx h PHE 238 Ca 0.41 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 3kqx h PHE 238 Cb 0.29 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3kqx h PHE 238 CO -0.04 -0.37 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.57 3kqx h LEU 239 N -0.37 -0.08 -0.67 0.59 4.07 -1.02 -0.70 115.31 117.12 3kqx h LEU 239 Ca 0.09 -0.14 0.14 0.00 0.08 0.00 0.00 57.88 58.05 3kqx h LEU 239 Cb 0.51 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.17 3kqx h LEU 239 CO -0.31 0.09 0.13 -0.33 -1.08 0.00 0.00 178.44 176.94 3kqx h GLU 240 N -0.25 0.23 -0.18 1.13 5.08 -1.06 0.99 114.58 120.52 3kqx h GLU 240 Ca -0.01 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 3kqx h GLU 240 Cb 0.21 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3kqx h GLU 240 CO 0.02 0.15 -0.38 1.15 -1.00 0.00 0.00 179.01 178.95 3kqx h THR 241 N 0.24 1.34 -0.21 1.13 2.02 -1.16 -0.21 112.91 116.04 3kqx h THR 241 Ca 0.37 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.96 3kqx h THR 241 Cb 0.60 1.91 -0.03 0.00 -1.74 0.00 0.00 68.15 68.89 3kqx h THR 241 CO -0.48 0.50 0.02 0.25 0.37 0.00 0.00 175.52 176.17 3kqx h LEU 242 N 0.24 -0.04 -0.20 2.58 5.85 -0.70 -0.79 115.31 122.25 3kqx h LEU 242 Ca 0.00 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kqx h LEU 242 Cb 0.98 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 3kqx h LEU 242 CO 0.08 0.01 0.09 -0.26 -0.34 0.00 0.00 178.44 178.03 3kqx h PHE 243 N 0.09 0.17 -0.20 1.25 0.04 -0.74 -1.49 116.94 116.06 3kqx h PHE 243 Ca 0.10 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 3kqx h PHE 243 Cb 0.11 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3kqx h PHE 243 CO -0.16 0.10 0.01 -0.92 -0.60 0.00 0.00 178.31 176.73 3kqx h TYR 244 N 0.21 0.37 -0.34 -0.55 3.20 -0.87 -2.24 116.97 116.75 3kqx h TYR 244 Ca 0.08 -0.06 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 3kqx h TYR 244 Cb 0.03 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 3kqx h TYR 244 CO -0.10 0.53 -0.17 0.93 -1.64 0.00 0.00 178.16 177.71 3kqx h GLU 245 N 0.11 0.62 -0.29 1.82 4.39 -1.17 -3.21 114.58 116.85 3kqx h GLU 245 Ca 0.06 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.49 3kqx h GLU 245 Cb 0.38 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3kqx h GLU 245 CO 0.01 0.76 -0.03 -0.92 -1.16 0.00 0.00 179.01 177.67 3kqx h TYR 246 N 0.56 0.59 -2.51 4.33 3.20 -1.23 -3.44 116.97 118.47 3kqx h TYR 246 Ca 0.09 -0.11 -0.54 0.00 3.14 0.00 0.00 58.73 61.31 3kqx h TYR 246 Cb 0.61 -0.15 0.05 0.00 1.54 0.00 0.00 36.73 38.78 3kqx h TYR 246 CO 0.03 0.70 1.00 -0.12 -1.64 0.00 0.00 178.16 178.12 3kqx n MET 247 N -4.54 2.64 -4.55 1.82 1.56 -0.85 -5.00 117.12 108.19 3kqx n MET 247 Ca -0.03 0.95 -0.33 0.00 -0.27 0.00 0.00 57.70 58.02 3kqx n MET 247 Cb 0.28 -2.80 -0.13 0.00 2.15 0.00 0.00 33.22 32.72 3kqx n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kqx s THR 248 N 1.67 3.44 -0.54 1.12 2.01 -1.26 -4.97 115.64 117.11 3kqx s THR 248 Ca 0.78 -0.52 -0.21 0.00 0.31 0.00 0.00 61.69 62.06 3kqx s THR 248 Cb -0.54 -2.48 0.06 0.00 0.01 0.00 0.00 72.50 69.54 3kqx s THR 248 CO 0.35 0.50 0.77 -0.62 -0.69 0.00 0.00 174.62 174.94 3kqx s ASP 249 N 0.44 6.25 -0.18 3.53 -1.08 -1.26 -4.89 116.67 119.48 3kqx s ASP 249 Ca -0.07 -0.77 0.16 0.00 -0.52 0.00 0.00 52.55 51.36 3kqx s ASP 249 Cb -0.15 -2.35 0.49 0.00 -1.46 0.00 0.00 42.92 39.45 3kqx s ASP 249 CO 0.04 -1.07 1.39 -0.62 0.52 0.00 0.00 175.17 175.43 3kqx n GLU 250 N 6.75 2.57 -0.04 4.34 1.02 -1.26 -4.72 120.64 129.30 3kqx n GLU 250 Ca -0.04 -2.84 0.13 0.00 -0.02 0.00 0.00 57.16 54.39 3kqx n GLU 250 Cb 0.46 -1.79 0.54 0.00 -0.02 0.00 0.00 31.44 30.62 3kqx n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kqx h ARG 251 N 1.45 0.31 -0.40 3.49 3.08 -1.99 -2.75 114.38 117.58 3kqx h ARG 251 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqx h ARG 251 Cb 1.40 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3kqx h ARG 251 CO 0.21 0.20 0.00 1.19 -1.07 0.00 0.00 179.97 180.50 3kqx n PHE 252 N -4.46 0.53 -2.79 3.04 3.01 -1.26 -4.95 117.46 110.58 3kqx n PHE 252 Ca 0.09 -0.35 -0.34 0.00 1.01 0.00 0.00 57.45 57.85 3kqx n PHE 252 Cb 0.38 -0.01 -0.07 0.00 -0.01 0.00 0.00 39.48 39.78 3kqx n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kqx s LYS 253 N -1.14 4.29 0.00 -1.08 -0.14 -1.04 -4.98 119.74 115.65 3kqx s LYS 253 Ca 0.32 1.20 0.00 0.00 -1.36 0.00 0.00 55.97 56.13 3kqx s LYS 253 Cb 0.18 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 34.00 3kqx s LYS 253 CO 0.24 0.02 0.00 0.45 -0.76 0.00 0.00 175.35 175.30 3kqx n SER 254 N -0.36 0.00 -0.25 2.83 2.88 -1.26 -4.76 113.62 112.70 3kqx n SER 254 Ca 0.06 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.75 3kqx n SER 254 Cb 0.53 0.02 0.69 0.00 -0.75 0.00 0.00 64.21 64.70 3kqx n SER 254 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kqx n THR 255 N -1.89 0.00 -1.90 2.46 -2.24 -1.26 -4.12 114.28 105.33 3kqx n THR 255 Ca 0.00 -0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.70 3kqx n THR 255 Cb 0.00 0.05 0.12 0.00 -2.10 0.00 0.00 70.33 68.41 3kqx n THR 255 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqx n ASP 256 N -0.43 1.40 -4.77 3.42 2.03 -1.26 -5.06 116.55 111.88 3kqx n ASP 256 Ca 0.20 -3.04 -0.41 0.00 0.52 0.00 0.00 54.79 52.06 3kqx n ASP 256 Cb 0.26 -0.42 -0.00 0.00 -0.72 0.00 0.00 41.12 40.24 3kqx n ASP 256 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kqx n LYS 257 N -0.50 2.65 -2.45 -0.67 5.02 -1.26 -4.91 118.16 116.04 3kqx n LYS 257 Ca 0.13 0.93 -0.43 0.00 -2.02 0.00 0.00 58.31 56.92 3kqx n LYS 257 Cb 0.85 -2.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.19 3kqx n LYS 257 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kqx s ASN 258 N -0.12 6.53 0.21 4.39 3.84 -1.26 -4.90 114.94 123.63 3kqx s ASN 258 Ca 0.54 0.83 -0.06 0.00 0.21 0.00 0.00 52.86 54.37 3kqx s ASN 258 Cb -0.48 -2.54 0.16 0.00 -0.55 0.00 0.00 41.25 37.83 3kqx s ASN 258 CO 0.63 -1.27 1.64 1.62 -2.79 0.00 0.00 177.10 176.94 3kqx h VAL 259 N 6.24 1.26 -0.40 -5.21 3.04 -2.02 -3.23 116.25 115.94 3kqx h VAL 259 Ca -0.25 -1.24 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 3kqx h VAL 259 Cb 1.09 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 3kqx h VAL 259 CO 1.08 0.43 0.00 -0.46 -1.01 0.00 0.00 177.57 177.61 3kqx n ASN 260 N -4.15 2.81 -4.46 3.17 0.23 -1.26 -4.85 115.26 106.76 3kqx n ASN 260 Ca 0.01 -2.19 -0.43 0.00 -0.53 0.00 0.00 54.58 51.44 3kqx n ASN 260 Cb 0.39 -0.40 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 3kqx n ASN 260 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3kqx s MET 261 N -1.64 3.16 0.08 -3.83 1.00 -1.22 -4.81 119.30 112.04 3kqx s MET 261 Ca 0.30 -0.77 0.09 0.00 0.00 0.00 0.00 55.69 55.31 3kqx s MET 261 Cb 0.18 -4.16 -0.03 0.00 0.00 0.00 0.00 34.83 30.82 3kqx s MET 261 CO 0.16 -1.57 -0.23 -1.21 0.00 0.00 0.00 175.02 172.18 3kqx s GLU 262 N 3.54 1.77 -0.02 2.03 8.01 -1.26 -5.08 118.70 127.68 3kqx s GLU 262 Ca 0.21 -1.15 0.01 0.00 0.01 0.00 0.00 54.97 54.05 3kqx s GLU 262 Cb -0.17 -2.04 -0.03 0.00 -4.31 0.00 0.00 34.13 27.57 3kqx s GLU 262 CO 0.12 0.50 -0.03 0.71 0.01 0.00 0.00 175.26 176.57 3kqx s TYR 263 N -0.97 3.02 0.58 1.61 2.02 -1.26 -4.88 117.35 117.47 3kqx s TYR 263 Ca 0.14 0.06 -0.18 0.00 -0.37 0.00 0.00 57.07 56.73 3kqx s TYR 263 Cb -0.10 -1.68 -0.08 0.00 -0.40 0.00 0.00 41.96 39.69 3kqx s TYR 263 CO 0.06 0.42 0.52 0.44 -1.57 0.00 0.00 175.55 175.42 3kqx n ILE 264 N 1.68 2.24 0.33 2.71 -5.35 -1.23 -4.88 119.36 114.86 3kqx n ILE 264 Ca -0.16 -0.49 0.09 0.00 -0.27 0.00 0.00 62.75 61.91 3kqx n ILE 264 Cb 0.53 -0.69 -0.12 0.00 -1.74 0.00 0.00 39.64 37.62 3kqx n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqx n LYS 265 N -0.10 0.86 -4.14 6.28 4.76 0.22 -4.66 118.16 121.38 3kqx n LYS 265 Ca 0.11 -0.10 -0.16 0.00 -2.87 0.00 0.00 58.31 55.30 3kqx n LYS 265 Cb 0.48 -1.38 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 3kqx n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqx s HIS 266 N -2.98 0.45 -0.11 2.13 3.76 -0.97 -0.64 115.29 116.93 3kqx s HIS 266 Ca -0.01 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3kqx s HIS 266 Cb 0.12 -0.29 0.02 0.00 1.11 0.00 0.00 32.58 33.55 3kqx s HIS 266 CO 0.72 -0.01 -0.09 -1.17 -0.85 0.00 0.00 174.74 173.35 3kqx s LEU 267 N -0.15 1.29 -0.04 0.89 2.96 0.39 -2.02 118.68 122.00 3kqx s LEU 267 Ca 0.02 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 3kqx s LEU 267 Cb -0.02 -0.86 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 3kqx s LEU 267 CO -0.00 -0.09 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.07 3kqx s GLY 268 N 1.52 1.79 -0.08 7.98 0.00 -0.36 -1.13 107.32 117.04 3kqx s GLY 268 Ca 0.02 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.83 3kqx s GLY 268 CO -0.06 -0.72 -0.06 0.14 0.00 0.00 0.00 173.10 172.39 3kqx s VAL 269 N -0.93 0.80 -0.20 1.40 1.01 -0.44 -0.16 120.40 121.87 3kqx s VAL 269 Ca 0.15 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.86 3kqx s VAL 269 Cb -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3kqx s VAL 269 CO 0.05 0.31 0.05 -0.31 0.00 0.00 0.00 175.10 175.20 3kqx s TYR 270 N 1.38 3.17 0.10 5.22 1.51 -0.10 -0.50 117.35 128.13 3kqx s TYR 270 Ca -0.02 -0.10 -0.18 0.00 -1.01 0.00 0.00 57.07 55.76 3kqx s TYR 270 Cb -0.14 -2.11 0.04 0.00 -0.11 0.00 0.00 41.96 39.65 3kqx s TYR 270 CO -0.03 -0.01 0.43 -1.50 -1.11 0.00 0.00 175.55 173.32 3kqx s ILE 271 N 0.72 0.06 0.24 2.71 2.07 -0.75 -1.91 121.20 124.33 3kqx s ILE 271 Ca 0.03 -0.48 -0.30 0.00 -1.41 0.00 0.00 60.65 58.49 3kqx s ILE 271 Cb -0.13 -1.09 -0.09 0.00 0.13 0.00 0.00 42.46 41.28 3kqx s ILE 271 CO 0.02 -0.27 1.32 0.20 -1.91 0.00 0.00 174.94 174.30 3kqx s ASN 272 N -2.53 6.85 -1.23 4.50 0.02 -1.26 -1.60 114.94 119.69 3kqx s ASN 272 Ca 0.00 2.49 -0.02 0.00 -1.02 0.00 0.00 52.86 54.31 3kqx s ASN 272 Cb 0.01 -2.62 -0.01 0.00 0.02 0.00 0.00 41.25 38.65 3kqx s ASN 272 CO -0.09 -0.54 0.82 0.59 0.02 0.00 0.00 177.10 177.90 3kqx n ASN 273 N 2.16 -2.42 -0.25 -1.22 3.02 -1.26 -4.89 115.26 110.41 3kqx n ASN 273 Ca 0.05 -0.77 -0.02 0.00 -0.03 0.00 0.00 54.58 53.81 3kqx n ASN 273 Cb 0.42 -4.45 0.09 0.00 -0.61 0.00 0.00 39.78 35.24 3kqx n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqx h ALA 274 N 0.75 0.95 -1.04 5.41 0.00 -1.85 -2.43 119.26 121.05 3kqx h ALA 274 Ca -0.61 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 54.56 3kqx h ALA 274 Cb 1.35 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 3kqx h ALA 274 CO 0.52 0.18 0.68 -0.44 0.00 0.00 0.00 179.25 180.20 3kqx h ASP 275 N 0.83 0.38 1.33 0.00 3.32 -1.92 0.85 116.42 121.21 3kqx h ASP 275 Ca 0.30 0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3kqx h ASP 275 Cb 0.09 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 3kqx h ASP 275 CO -0.14 0.08 -0.03 0.00 -1.72 0.00 0.00 179.24 177.43 3kqx h THR 276 N 0.34 0.06 0.00 0.35 1.03 -1.80 -3.23 112.91 109.66 3kqx h THR 276 Ca 0.58 -0.75 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 3kqx h THR 276 Cb 1.58 1.70 0.00 0.00 -1.07 0.00 0.00 68.15 70.36 3kqx h THR 276 CO -0.25 0.03 -1.25 -1.22 -0.01 0.00 0.00 175.52 172.82 3kqx n TYR 277 N -3.12 0.18 -0.10 0.00 4.01 0.25 -4.38 117.16 114.00 3kqx n TYR 277 Ca 0.02 0.05 0.09 0.00 -0.16 0.00 0.00 57.90 57.90 3kqx n TYR 277 Cb 0.39 -0.39 0.44 0.00 -0.31 0.00 0.00 39.34 39.48 3kqx n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kqx h LYS 278 N 0.00 0.52 0.00 -0.72 1.57 -1.45 -0.00 116.57 116.48 3kqx h LYS 278 Ca 0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3kqx h LYS 278 Cb 0.76 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kqx h LYS 278 CO 0.00 0.35 -0.13 0.93 -0.57 0.00 0.00 179.45 180.03 3kqx h GLU 279 N 0.54 0.00 0.00 3.15 4.39 -1.79 -2.93 114.58 117.94 3kqx h GLU 279 Ca 0.27 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 3kqx h GLU 279 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3kqx h GLU 279 CO -0.08 0.13 -0.07 0.93 -1.16 0.00 0.00 179.01 178.76 3kqx h GLU 280 N 0.00 0.00 0.79 2.33 4.39 -1.27 -3.32 114.58 117.50 3kqx h GLU 280 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kqx h GLU 280 Cb 0.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 3kqx h GLU 280 CO 0.02 0.07 -0.44 0.28 -1.16 0.00 0.00 179.01 177.77 3kqx h VAL 281 N 0.00 0.11 -0.08 3.13 2.07 -1.59 0.20 116.25 120.09 3kqx h VAL 281 Ca -0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 3kqx h VAL 281 Cb 0.78 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kqx h VAL 281 CO 0.01 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 176.77 3kqx h GLU 282 N -1.14 0.22 -0.65 1.57 4.39 -1.77 -1.19 114.58 116.01 3kqx h GLU 282 Ca -0.11 -0.13 0.04 0.00 0.34 0.00 0.00 59.36 59.51 3kqx h GLU 282 Cb 0.90 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.51 3kqx h GLU 282 CO 0.14 0.68 0.39 -0.22 -1.16 0.00 0.00 179.01 178.83 3kqx h LYS 283 N 0.18 0.73 -0.92 2.33 3.64 -1.64 -2.34 116.57 118.56 3kqx h LYS 283 Ca 0.01 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.41 3kqx h LYS 283 Cb 0.95 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 3kqx h LYS 283 CO 0.08 0.48 0.58 0.00 -2.27 0.00 0.00 179.45 178.31 3kqx h ALA 284 N 1.30 1.27 -0.51 5.00 0.00 0.02 0.14 119.26 126.48 3kqx h ALA 284 Ca 0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3kqx h ALA 284 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kqx h ALA 284 CO -0.13 0.33 0.07 -0.09 0.00 0.00 0.00 179.25 179.44 3kqx h ARG 285 N 1.04 0.80 -0.08 0.00 2.43 -0.98 0.30 114.38 117.90 3kqx h ARG 285 Ca 0.40 -0.18 -0.17 0.00 -0.81 0.00 0.00 59.98 59.22 3kqx h ARG 285 Cb 0.18 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3kqx h ARG 285 CO -0.18 0.76 -0.62 0.28 -1.51 0.00 0.00 179.97 178.70 3kqx h VAL 286 N 0.76 1.36 -0.73 0.20 2.07 -0.89 -2.07 116.25 116.94 3kqx h VAL 286 Ca 0.16 -1.94 -0.06 0.00 0.82 0.00 0.00 66.70 65.68 3kqx h VAL 286 Cb 0.36 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 3kqx h VAL 286 CO 0.01 0.59 0.21 1.88 0.02 0.00 0.00 177.57 180.28 3kqx h TYR 287 N 0.16 1.19 -0.58 1.57 -1.99 -0.81 -1.07 116.97 115.44 3kqx h TYR 287 Ca -0.05 -0.12 0.03 0.00 2.00 0.00 0.00 58.73 60.58 3kqx h TYR 287 Cb 1.27 -0.34 -0.04 0.00 2.00 0.00 0.00 36.73 39.62 3kqx h TYR 287 CO 0.12 0.94 0.35 -0.92 -0.00 0.00 0.00 178.16 178.65 3kqx h TYR 288 N 1.09 0.65 -0.18 4.88 3.20 -0.35 -2.45 116.97 123.82 3kqx h TYR 288 Ca 0.23 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.91 3kqx h TYR 288 Cb 0.32 -0.21 0.01 0.00 1.54 0.00 0.00 36.73 38.39 3kqx h TYR 288 CO 0.03 0.37 -0.72 0.35 -1.64 0.00 0.00 178.16 176.54 3kqx h PHE 289 N 0.69 1.05 -0.74 -3.82 3.57 -1.05 0.47 116.94 117.10 3kqx h PHE 289 Ca 0.23 -0.44 0.11 0.00 3.53 0.00 0.00 57.97 61.40 3kqx h PHE 289 Cb 0.03 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.52 3kqx h PHE 289 CO -0.06 1.27 0.35 0.78 -2.23 0.00 0.00 178.31 178.42 3kqx h GLY 290 N 0.64 1.13 0.74 2.40 0.00 -1.23 0.24 103.07 106.98 3kqx h GLY 290 Ca -0.04 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 3kqx h GLY 290 CO 0.15 0.01 -0.19 -0.84 0.00 0.00 0.00 176.54 175.67 3kqx h THR 291 N 0.57 1.36 -0.86 4.70 2.02 -0.96 -1.95 112.91 117.80 3kqx h THR 291 Ca 0.38 -1.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 3kqx h THR 291 Cb 0.47 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.80 3kqx h THR 291 CO -0.31 0.41 0.47 0.22 0.37 0.00 0.00 175.52 176.68 3kqx h TYR 292 N -0.02 1.17 -0.24 3.16 3.20 0.15 -1.65 116.97 122.74 3kqx h TYR 292 Ca 0.02 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3kqx h TYR 292 Cb 0.75 -0.37 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3kqx h TYR 292 CO 0.09 0.80 0.16 -0.92 -1.64 0.00 0.00 178.16 176.65 3kqx h TYR 293 N 1.20 0.31 -0.39 -3.82 3.20 -0.53 0.18 116.97 117.11 3kqx h TYR 293 Ca 0.30 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.24 3kqx h TYR 293 Cb 0.02 -0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.13 3kqx h TYR 293 CO 0.01 0.21 0.05 0.00 -1.64 0.00 0.00 178.16 176.78 3kqx h ALA 294 N 1.08 0.40 -0.59 1.82 0.00 -1.19 -2.68 119.26 118.10 3kqx h ALA 294 Ca 0.09 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3kqx h ALA 294 Cb -0.02 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3kqx h ALA 294 CO -0.02 -0.35 0.28 1.03 0.00 0.00 0.00 179.25 180.19 3kqx h SER 295 N 0.16 0.38 -0.72 0.00 0.87 -0.92 -1.32 113.55 112.01 3kqx h SER 295 Ca 0.19 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.85 3kqx h SER 295 Cb 0.24 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.13 3kqx h SER 295 CO -0.27 0.25 0.42 1.56 -0.53 0.00 0.00 176.83 178.25 3kqx h GLN 296 N 0.53 0.75 -0.44 2.24 4.20 -0.35 0.41 115.11 122.45 3kqx h GLN 296 Ca 0.27 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 3kqx h GLN 296 Cb 0.23 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3kqx h GLN 296 CO -0.21 0.50 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.21 3kqx h LEU 297 N 0.78 0.92 -0.04 1.46 3.38 -1.21 -1.78 115.31 118.80 3kqx h LEU 297 Ca 0.31 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3kqx h LEU 297 Cb 0.16 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kqx h LEU 297 CO -0.17 1.10 -0.02 0.40 0.09 0.00 0.00 178.44 179.84 3kqx h ILE 298 N 0.73 1.32 -0.04 1.22 2.04 -1.03 -3.17 117.51 118.58 3kqx h ILE 298 Ca 0.10 -1.01 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3kqx h ILE 298 Cb 0.73 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 3kqx h ILE 298 CO 0.06 0.27 -0.12 0.00 0.00 0.00 0.00 178.15 178.36 3kqx h ALA 299 N 0.61 1.73 -2.03 1.87 0.00 -0.97 -3.41 119.26 117.07 3kqx h ALA 299 Ca 0.01 -0.13 -0.62 0.00 0.00 0.00 0.00 54.91 54.17 3kqx h ALA 299 Cb 0.45 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.23 3kqx h ALA 299 CO 0.01 0.20 0.98 0.00 0.00 0.00 0.00 179.25 180.43 3kqx n ALA 300 N -2.51 0.82 -0.83 0.00 0.00 -0.67 -4.94 120.51 112.37 3kqx n ALA 300 Ca -0.02 0.34 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 3kqx n ALA 300 Cb 0.21 -2.42 0.15 0.00 0.00 0.00 0.00 19.45 17.39 3kqx n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqx s PRO 301 N 3.05 1.31 0.57 0.00 0.02 -1.26 -4.55 135.00 134.14 3kqx s PRO 301 Ca 0.89 1.48 0.28 0.00 0.02 0.00 0.00 61.00 63.67 3kqx s PRO 301 Cb -0.73 -1.77 1.72 0.00 0.02 0.00 0.00 34.50 33.74 3kqx s PRO 301 CO 0.49 -2.40 2.23 0.77 -0.33 0.00 0.00 177.00 177.75 3kqx h SER 302 N -1.67 0.00 1.20 2.53 0.02 -1.81 0.65 113.55 114.48 3kqx h SER 302 Ca -0.43 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.46 3kqx h SER 302 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 3kqx h SER 302 CO 0.44 0.01 -0.27 -0.55 -1.14 0.00 0.00 176.83 175.32 3kqx h ASN 303 N 0.00 0.00 0.07 3.07 -1.07 -1.93 -3.31 115.58 112.40 3kqx h ASN 303 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 56.30 56.11 3kqx h ASN 303 Cb 0.03 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.27 3kqx h ASN 303 CO 0.00 0.27 -1.38 1.88 0.07 0.00 0.00 177.43 178.27 3kqx h TYR 304 N 0.00 0.28 -3.31 4.14 0.05 -1.53 -3.40 116.97 113.20 3kqx h TYR 304 Ca -0.00 -0.20 -0.73 0.00 0.05 0.00 0.00 58.73 57.84 3kqx h TYR 304 Cb 0.94 -0.01 -0.29 0.00 1.01 0.00 0.00 36.73 38.38 3kqx h TYR 304 CO 0.00 1.54 -0.34 0.00 -1.05 0.00 0.00 178.16 178.32 3kqx s ASN 306 N 2.69 3.30 0.51 0.00 2.20 -1.25 -4.32 114.94 118.07 3kqx s ASN 306 Ca 0.07 -1.62 0.15 0.00 -0.94 0.00 0.00 52.86 50.52 3kqx s ASN 306 Cb -0.26 0.39 1.23 0.00 -2.00 0.00 0.00 41.25 40.62 3kqx s ASN 306 CO -0.01 -0.84 2.14 -0.65 -2.94 0.00 0.00 177.10 174.81 3kqx h PRO 307 N 1.66 0.05 0.01 3.55 0.11 -1.87 -0.74 132.00 134.78 3kqx h PRO 307 Ca -0.40 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 3kqx h PRO 307 Cb 1.28 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3kqx h PRO 307 CO 0.66 0.03 -0.00 0.28 -0.21 0.00 0.00 178.00 178.76 3kqx h VAL 308 N 0.05 1.59 -0.07 3.15 2.07 -1.94 -2.73 116.25 118.37 3kqx h VAL 308 Ca 0.01 -2.08 -0.04 0.00 0.82 0.00 0.00 66.70 65.42 3kqx h VAL 308 Cb -0.01 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 3kqx h VAL 308 CO -0.00 0.52 -0.13 0.77 0.02 0.00 0.00 177.57 178.75 3kqx h SER 309 N -0.94 0.10 -0.10 0.57 4.64 -1.83 -1.00 113.55 114.98 3kqx h SER 309 Ca -0.00 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 3kqx h SER 309 Cb 0.86 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3kqx h SER 309 CO 0.00 0.24 -0.48 0.25 -0.87 0.00 0.00 176.83 175.97 3kqx h LEU 310 N 0.10 0.60 -1.31 5.97 5.85 -1.21 -0.83 115.31 124.48 3kqx h LEU 310 Ca 0.02 -0.64 -0.06 0.00 0.84 0.00 0.00 57.88 58.04 3kqx h LEU 310 Cb 0.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3kqx h LEU 310 CO 0.02 1.14 -0.14 0.77 -0.34 0.00 0.00 178.44 179.89 3kqx h SER 311 N 0.09 0.28 -0.59 1.25 4.64 -1.31 -1.27 113.55 116.63 3kqx h SER 311 Ca -0.03 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.15 3kqx h SER 311 Cb 1.13 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3kqx h SER 311 CO 0.10 0.45 0.06 0.78 -0.87 0.00 0.00 176.83 177.35 3kqx h ASN 312 N 0.27 0.97 -0.27 4.97 2.35 -1.09 -1.85 115.58 120.94 3kqx h ASN 312 Ca 0.05 -0.28 -0.10 0.00 -0.55 0.00 0.00 56.30 55.43 3kqx h ASN 312 Cb 0.42 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3kqx h ASN 312 CO 0.03 1.01 -0.17 0.00 -1.65 0.00 0.00 177.43 176.64 3kqx h ALA 313 N 1.00 0.99 -0.90 -0.83 0.00 -0.59 -2.40 119.26 116.53 3kqx h ALA 313 Ca 0.18 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kqx h ALA 313 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3kqx h ALA 313 CO 0.02 0.60 0.56 0.00 0.00 0.00 0.00 179.25 180.43 3kqx h ALA 314 N 1.18 1.30 -0.30 0.00 0.00 -1.03 -0.95 119.26 119.45 3kqx h ALA 314 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kqx h ALA 314 Cb 0.64 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kqx h ALA 314 CO 0.05 0.62 0.09 0.28 0.00 0.00 0.00 179.25 180.29 3kqx h VAL 315 N 1.23 1.21 -0.63 0.00 2.07 -1.05 -0.92 116.25 118.15 3kqx h VAL 315 Ca 0.32 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3kqx h VAL 315 Cb -0.08 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3kqx h VAL 315 CO -0.06 0.22 0.36 -0.08 0.02 0.00 0.00 177.57 178.03 3kqx h GLU 316 N 0.33 0.65 -0.08 1.57 4.81 -1.19 0.45 114.58 121.13 3kqx h GLU 316 Ca 0.10 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3kqx h GLU 316 Cb 0.25 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 3kqx h GLU 316 CO -0.00 0.43 0.04 1.25 -0.73 0.00 0.00 179.01 180.00 3kqx h LEU 317 N 0.67 0.10 -0.52 1.64 5.85 -1.03 -0.61 115.31 121.42 3kqx h LEU 317 Ca 0.28 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.97 3kqx h LEU 317 Cb 0.14 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 3kqx h LEU 317 CO -0.16 0.15 0.25 0.00 -0.34 0.00 0.00 178.44 178.34 3kqx h ALA 318 N 0.95 0.67 -0.62 1.25 0.00 -0.84 -1.76 119.26 118.91 3kqx h ALA 318 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kqx h ALA 318 Cb 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kqx h ALA 318 CO -0.00 -0.11 0.34 1.96 0.00 0.00 0.00 179.25 181.44 3kqx h GLN 319 N 0.48 0.86 0.00 0.00 4.20 -0.70 0.11 115.11 120.07 3kqx h GLN 319 Ca 0.24 -0.10 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3kqx h GLN 319 Cb 0.17 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3kqx h GLN 319 CO -0.18 0.66 -0.18 0.87 -0.67 0.00 0.00 178.83 179.33 3kqx h LYS 320 N 0.84 0.00 -0.02 1.46 1.57 -0.81 -3.07 116.57 116.55 3kqx h LYS 320 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kqx h LYS 320 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kqx h LYS 320 CO -0.04 0.18 -0.44 1.28 -0.57 0.00 0.00 179.45 179.87 3kqx n LEU 321 N -3.87 2.06 -3.76 2.94 4.77 -0.69 -4.97 117.00 113.48 3kqx n LEU 321 Ca -0.02 -0.75 -0.27 0.00 -0.03 0.00 0.00 56.01 54.94 3kqx n LEU 321 Cb 0.27 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3kqx n LEU 321 CO 0.33 0.38 0.15 0.59 -1.33 0.00 0.00 177.39 177.51 3kqx n ASN 322 N 0.04 -5.07 -4.86 -1.43 3.02 0.16 -4.95 115.26 102.17 3kqx n ASN 322 Ca 0.10 -0.69 -0.33 0.00 -0.03 0.00 0.00 54.58 53.63 3kqx n ASN 322 Cb 0.47 -4.38 -0.06 0.00 -0.61 0.00 0.00 39.78 35.20 3kqx n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kqx s LEU 323 N -7.22 4.17 0.64 3.41 1.43 0.08 -5.03 118.68 116.16 3kqx s LEU 323 Ca 0.57 1.06 -0.17 0.00 -1.03 0.00 0.00 54.13 54.56 3kqx s LEU 323 Cb -0.27 -3.73 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 3kqx s LEU 323 CO 0.79 -0.08 1.17 -1.61 0.23 0.00 0.00 176.35 176.84 3kqx s GLU 324 N -2.71 2.75 0.09 1.70 8.01 -1.17 -4.63 118.70 122.75 3kqx s GLU 324 Ca 0.48 1.64 -0.25 0.00 0.01 0.00 0.00 54.97 56.85 3kqx s GLU 324 Cb -0.12 -1.92 0.07 0.00 -4.31 0.00 0.00 34.13 27.85 3kqx s GLU 324 CO 0.20 -1.33 0.63 1.52 0.01 0.00 0.00 175.26 176.29 3kqx s TYR 325 N -1.95 -0.57 -0.23 1.61 -0.85 -1.26 -1.25 117.35 112.85 3kqx s TYR 325 Ca 0.73 0.56 -0.17 0.00 -0.52 0.00 0.00 57.07 57.67 3kqx s TYR 325 Cb -0.26 0.52 0.06 0.00 0.38 0.00 0.00 41.96 42.66 3kqx s TYR 325 CO 0.38 -0.77 0.58 0.21 -1.52 0.00 0.00 175.55 174.43 3kqx s LYS 326 N -2.99 0.63 -0.19 -3.49 2.20 -0.53 -5.00 119.74 110.37 3kqx s LYS 326 Ca -0.02 0.94 -0.01 0.00 -0.36 0.00 0.00 55.97 56.52 3kqx s LYS 326 Cb -0.01 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3kqx s LYS 326 CO -0.06 -0.12 -0.15 0.42 -0.36 0.00 0.00 175.35 175.08 3kqx s ILE 327 N 0.93 2.53 -0.09 5.43 -1.09 -1.26 -1.78 121.20 125.87 3kqx s ILE 327 Ca -0.05 -0.78 -0.17 0.00 -2.23 0.00 0.00 60.65 57.42 3kqx s ILE 327 Cb -0.05 -2.10 -0.05 0.00 -1.58 0.00 0.00 42.46 38.68 3kqx s ILE 327 CO -0.08 0.50 0.44 -0.76 -1.23 0.00 0.00 174.94 173.81 3kqx s LEU 328 N 1.31 4.33 0.00 2.97 1.43 0.16 -4.91 118.68 123.96 3kqx s LEU 328 Ca 0.04 0.82 0.08 0.00 -1.03 0.00 0.00 54.13 54.04 3kqx s LEU 328 Cb -0.14 -2.63 0.08 0.00 0.03 0.00 0.00 46.19 43.54 3kqx s LEU 328 CO -0.09 0.10 0.67 0.61 0.23 0.00 0.00 176.35 177.87 3kqx n GLY 329 N 2.89 2.11 0.33 -3.19 0.00 -1.26 -1.05 105.19 105.03 3kqx n GLY 329 Ca -0.09 -2.23 -0.05 0.00 0.00 0.00 0.00 46.02 43.64 3kqx n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqx h VAL 330 N 0.20 1.25 -0.66 1.61 2.07 -1.97 -0.94 116.25 117.81 3kqx h VAL 330 Ca -0.26 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 3kqx h VAL 330 Cb 1.15 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3kqx h VAL 330 CO 0.38 0.29 0.27 0.11 0.02 0.00 0.00 177.57 178.64 3kqx h LYS 331 N 1.14 0.99 -0.94 1.57 1.79 -1.96 0.15 116.57 119.32 3kqx h LYS 331 Ca 0.28 -0.18 -0.01 0.00 -2.18 0.00 0.00 60.65 58.56 3kqx h LYS 331 Cb 0.10 -0.16 -0.05 0.00 -1.58 0.00 0.00 32.23 30.54 3kqx h LYS 331 CO -0.04 0.83 0.56 0.93 -1.08 0.00 0.00 179.45 180.65 3kqx h GLU 332 N 0.94 1.27 -0.05 3.15 3.07 -1.83 -2.28 114.58 118.85 3kqx h GLU 332 Ca 0.22 -0.12 -0.12 0.00 -0.50 0.00 0.00 59.36 58.84 3kqx h GLU 332 Cb 0.21 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3kqx h GLU 332 CO -0.02 0.89 -0.53 -0.07 -1.40 0.00 0.00 179.01 177.89 3kqx h LEU 333 N 1.29 0.14 -0.54 1.33 3.38 -0.52 -0.96 115.31 119.44 3kqx h LEU 333 Ca 0.34 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3kqx h LEU 333 Cb -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3kqx h LEU 333 CO -0.06 0.65 0.01 -0.33 0.09 0.00 0.00 178.44 178.79 3kqx h GLU 334 N 0.10 0.95 -0.25 1.13 5.08 -0.60 -1.64 114.58 119.36 3kqx h GLU 334 Ca -0.00 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 3kqx h GLU 334 Cb 0.97 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3kqx h GLU 334 CO 0.08 0.95 -0.22 0.93 -1.00 0.00 0.00 179.01 179.75 3kqx h GLU 335 N 0.82 0.45 0.00 2.33 5.08 -1.08 -0.15 114.58 122.04 3kqx h GLU 335 Ca 0.15 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kqx h GLU 335 Cb 0.52 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3kqx h GLU 335 CO 0.03 0.65 0.00 1.28 -1.00 0.00 0.00 179.01 179.97 3kqx n LEU 336 N -4.15 0.00 -3.53 1.33 4.77 -0.39 -4.92 117.00 110.10 3kqx n LEU 336 Ca -0.00 0.09 -0.24 0.00 -0.03 0.00 0.00 56.01 55.83 3kqx n LEU 336 Cb 0.38 -0.09 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3kqx n LEU 336 CO 0.41 -0.00 0.22 0.29 -1.33 0.00 0.00 177.39 176.98 3kqx n LYS 337 N -1.09 -7.62 -1.86 3.23 5.02 -0.07 -4.71 118.16 111.05 3kqx n LYS 337 Ca 0.20 0.84 -0.41 0.00 -2.02 0.00 0.00 58.31 56.92 3kqx n LYS 337 Cb 0.15 -5.87 -0.00 0.00 -0.02 0.00 0.00 35.03 29.28 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqx n MET 338 N -4.90 3.46 0.11 1.97 2.81 -0.79 -2.37 117.12 117.41 3kqx n MET 338 Ca -0.00 -2.91 0.02 0.00 -1.81 0.00 0.00 57.70 52.99 3kqx n MET 338 Cb 0.57 -3.01 0.38 0.00 -0.71 0.00 0.00 33.22 30.45 3kqx n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqx h GLY 339 N 8.24 0.28 0.58 3.03 0.00 -1.74 -2.10 103.07 111.37 3kqx h GLY 339 Ca 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3kqx h GLY 339 CO 1.74 0.16 -0.03 0.00 0.00 0.00 0.00 176.54 178.42 3kqx h ALA 340 N 1.62 0.05 -0.28 3.60 0.00 -1.84 -1.84 119.26 120.57 3kqx h ALA 340 Ca 0.05 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3kqx h ALA 340 Cb 0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3kqx h ALA 340 CO 0.02 -0.20 0.17 -0.92 0.00 0.00 0.00 179.25 178.33 3kqx h TYR 341 N -0.36 0.37 -0.69 0.00 3.20 -1.65 -3.06 116.97 114.77 3kqx h TYR 341 Ca 0.01 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 3kqx h TYR 341 Cb 0.50 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3kqx h TYR 341 CO 0.08 0.27 0.21 -0.07 -1.64 0.00 0.00 178.16 177.01 3kqx h LEU 342 N 0.35 1.01 -1.03 2.82 3.38 -1.40 -2.68 115.31 117.76 3kqx h LEU 342 Ca 0.10 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.04 3kqx h LEU 342 Cb 0.01 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.40 3kqx h LEU 342 CO -0.02 0.95 0.62 0.28 0.09 0.00 0.00 178.44 180.36 3kqx h SER 343 N 1.01 0.79 -0.58 -0.43 0.02 -1.31 -2.18 113.55 110.87 3kqx h SER 343 Ca 0.22 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.23 3kqx h SER 343 Cb 0.31 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3kqx h SER 343 CO -0.01 0.31 0.25 0.58 -1.14 0.00 0.00 176.83 176.82 3kqx h VAL 344 N 0.79 1.22 -0.01 2.27 2.07 -1.37 -2.97 116.25 118.24 3kqx h VAL 344 Ca 0.56 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3kqx h VAL 344 Cb 0.85 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3kqx h VAL 344 CO -0.35 0.26 -0.01 0.61 0.02 0.00 0.00 177.57 178.10 3kqx n GLY 345 N -0.86 -0.23 0.35 2.17 0.00 -1.07 -4.23 105.19 101.31 3kqx n GLY 345 Ca 0.03 -0.39 0.14 0.00 0.00 0.00 0.00 46.02 45.81 3kqx n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqx h LYS 346 N 1.82 0.66 -0.01 1.61 1.57 -1.23 -1.16 116.57 119.85 3kqx h LYS 346 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3kqx h LYS 346 Cb 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kqx h LYS 346 CO 0.00 0.44 0.00 0.41 -0.57 0.00 0.00 179.45 179.73 3kqx n GLY 347 N -1.32 -0.92 3.87 3.86 0.00 -1.24 -4.52 105.19 104.92 3kqx n GLY 347 Ca 0.24 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3kqx n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqx s SER 348 N -1.75 6.64 0.00 1.61 0.15 -0.44 -4.62 113.70 115.29 3kqx s SER 348 Ca 0.36 0.79 0.15 0.00 0.70 0.00 0.00 55.95 57.95 3kqx s SER 348 Cb 0.17 -2.18 0.68 0.00 -1.71 0.00 0.00 66.02 62.98 3kqx s SER 348 CO 0.28 0.16 1.46 1.15 1.20 0.00 0.00 173.24 177.49 3kqx n MET 349 N 0.85 0.07 -3.70 5.44 0.00 -1.26 -4.71 117.12 113.81 3kqx n MET 349 Ca -0.08 0.21 -0.37 0.00 0.00 0.00 0.00 57.70 57.47 3kqx n MET 349 Cb 0.52 -1.50 -0.11 0.00 0.00 0.00 0.00 33.22 32.14 3kqx n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqx s TYR 350 N -2.86 3.23 0.34 3.17 1.51 -1.26 -4.89 117.35 116.58 3kqx s TYR 350 Ca 0.10 0.06 -0.28 0.00 -1.01 0.00 0.00 57.07 55.93 3kqx s TYR 350 Cb 0.10 -2.28 -0.13 0.00 -0.11 0.00 0.00 41.96 39.55 3kqx s TYR 350 CO 0.26 -0.07 1.20 -2.30 -1.11 0.00 0.00 175.55 173.52 3kqx n PRO 351 N 4.56 1.87 -1.64 -1.71 -0.02 -1.26 -4.84 135.00 131.96 3kqx n PRO 351 Ca -0.15 0.66 -0.45 0.00 -2.02 0.00 0.00 63.50 61.53 3kqx n PRO 351 Cb 0.52 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.79 3kqx n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kqx n ASN 352 N 0.85 2.15 -3.93 2.55 4.13 -1.26 -4.54 115.26 115.20 3kqx n ASN 352 Ca 0.06 1.16 -0.23 0.00 1.68 0.00 0.00 54.58 57.26 3kqx n ASN 352 Cb 0.35 -1.36 -0.17 0.00 -1.54 0.00 0.00 39.78 37.06 3kqx n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kqx s LYS 353 N -0.91 1.22 -0.31 3.52 -0.14 -0.78 -4.12 119.74 118.22 3kqx s LYS 353 Ca 0.65 -0.21 -0.10 0.00 -1.36 0.00 0.00 55.97 54.95 3kqx s LYS 353 Cb -0.69 -1.16 -0.01 0.00 -1.68 0.00 0.00 37.83 34.29 3kqx s LYS 353 CO 0.55 -0.10 0.16 0.12 -0.76 0.00 0.00 175.35 175.32 3kqx s PHE 354 N 1.06 3.18 -0.09 3.18 2.19 -0.21 -1.49 117.98 125.79 3kqx s PHE 354 Ca -0.08 -0.51 -0.25 0.00 0.33 0.00 0.00 56.93 56.42 3kqx s PHE 354 Cb -0.14 -2.36 -0.03 0.00 -1.31 0.00 0.00 43.02 39.18 3kqx s PHE 354 CO -0.01 -0.43 0.77 0.42 1.83 0.00 0.00 175.22 177.80 3kqx s ILE 355 N 1.63 4.98 -0.29 3.12 1.01 0.26 -0.67 121.20 131.24 3kqx s ILE 355 Ca 0.05 1.57 -0.02 0.00 0.00 0.00 0.00 60.65 62.25 3kqx s ILE 355 Cb -0.17 -4.10 0.10 0.00 0.01 0.00 0.00 42.46 38.29 3kqx s ILE 355 CO 0.07 0.18 0.10 -2.28 0.00 0.00 0.00 174.94 173.00 3kqx s HIS 356 N 1.21 1.24 0.22 3.97 2.46 -0.73 -1.65 115.29 122.00 3kqx s HIS 356 Ca 0.39 -1.39 0.06 0.00 0.47 0.00 0.00 55.06 54.59 3kqx s HIS 356 Cb -0.18 -1.40 -0.04 0.00 -0.13 0.00 0.00 32.58 30.83 3kqx s HIS 356 CO 0.18 -0.83 0.20 -0.51 -2.47 0.00 0.00 174.74 171.30 3kqx s LEU 357 N 1.78 3.88 -0.04 8.88 1.02 0.02 -1.46 118.68 132.77 3kqx s LEU 357 Ca 0.08 -0.17 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 3kqx s LEU 357 Cb -0.17 -2.44 0.03 0.00 0.02 0.00 0.00 46.19 43.63 3kqx s LEU 357 CO -0.26 -0.01 0.08 -0.89 0.02 0.00 0.00 176.35 175.29 3kqx s THR 358 N -1.99 -0.05 -0.14 5.49 2.01 -0.38 -1.02 115.64 119.57 3kqx s THR 358 Ca 0.32 0.17 -0.03 0.00 0.31 0.00 0.00 61.69 62.46 3kqx s THR 358 Cb -0.09 -0.14 -0.03 0.00 0.01 0.00 0.00 72.50 72.25 3kqx s THR 358 CO 0.25 0.07 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.76 3kqx s TYR 359 N 0.97 3.08 -0.11 4.92 5.04 0.65 -3.05 117.35 128.85 3kqx s TYR 359 Ca -0.08 -0.11 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 3kqx s TYR 359 Cb -0.11 -1.92 0.03 0.00 0.35 0.00 0.00 41.96 40.31 3kqx s TYR 359 CO -0.04 0.13 -0.05 0.21 -1.34 0.00 0.00 175.55 174.46 3kqx s LYS 360 N 0.00 1.24 0.57 4.97 2.20 -1.26 -0.16 119.74 127.30 3kqx s LYS 360 Ca 0.02 -0.19 -0.20 0.00 -0.36 0.00 0.00 55.97 55.23 3kqx s LYS 360 Cb -0.13 -1.49 -0.05 0.00 -1.51 0.00 0.00 37.83 34.66 3kqx s LYS 360 CO 0.02 -0.31 1.21 0.43 -0.36 0.00 0.00 175.35 176.34 3kqx n SER 361 N 4.99 1.91 -4.77 1.43 7.64 0.18 -4.99 113.62 120.01 3kqx n SER 361 Ca -0.11 0.91 -0.39 0.00 1.01 0.00 0.00 58.87 60.29 3kqx n SER 361 Cb 0.50 -1.50 -0.02 0.00 -1.01 0.00 0.00 64.21 62.18 3kqx n SER 361 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3kqx s LYS 362 N -2.86 4.07 2.03 1.43 1.02 -1.26 -4.80 119.74 119.37 3kqx s LYS 362 Ca 0.74 1.91 0.00 0.00 0.02 0.00 0.00 55.97 58.64 3kqx s LYS 362 Cb -0.42 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 3kqx s LYS 362 CO 0.48 -0.33 0.00 0.41 -0.92 0.00 0.00 175.35 174.99 3kqx n GLY 363 N 0.67 0.74 3.67 -3.33 0.00 -1.26 -4.58 105.19 101.10 3kqx n GLY 363 Ca 0.04 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3kqx n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kqx s ASP 364 N -4.00 6.79 -0.37 1.61 3.84 -1.26 -5.00 116.67 118.27 3kqx s ASP 364 Ca 0.00 0.96 -0.19 0.00 -0.00 0.00 0.00 52.55 53.32 3kqx s ASP 364 Cb 0.00 -2.38 0.01 0.00 -1.38 0.00 0.00 42.92 39.17 3kqx s ASP 364 CO 0.00 -0.26 0.56 -0.69 -0.00 0.00 0.00 175.17 174.78 3kqx s VAL 365 N 1.72 4.95 -0.10 2.11 1.01 -1.26 -3.65 120.40 125.18 3kqx s VAL 365 Ca 0.32 0.30 0.20 0.00 0.00 0.00 0.00 61.98 62.80 3kqx s VAL 365 Cb -0.16 -4.05 -0.29 0.00 0.00 0.00 0.00 36.38 31.88 3kqx s VAL 365 CO 0.12 -0.33 0.34 0.29 0.00 0.00 0.00 175.10 175.52 3kqx n LYS 366 N 5.91 0.67 -3.82 2.72 5.02 0.30 -4.94 118.16 124.02 3kqx n LYS 366 Ca -0.03 -0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.00 3kqx n LYS 366 Cb 0.48 -1.53 -0.15 0.00 -0.02 0.00 0.00 35.03 33.81 3kqx n LYS 366 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kqx s LYS 367 N -3.11 0.00 -0.14 1.97 -0.14 -1.03 -5.05 119.74 112.25 3kqx s LYS 367 Ca -0.08 0.12 -0.00 0.00 -1.36 0.00 0.00 55.97 54.64 3kqx s LYS 367 Cb 0.11 -0.19 -0.01 0.00 -1.68 0.00 0.00 37.83 36.05 3kqx s LYS 367 CO 0.87 -0.11 -0.14 0.15 -0.76 0.00 0.00 175.35 175.36 3kqx s LYS 368 N 0.73 3.32 -0.02 1.68 1.02 -1.26 -1.52 119.74 123.68 3kqx s LYS 368 Ca -0.06 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.25 3kqx s LYS 368 Cb -0.09 -2.63 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 3kqx s LYS 368 CO -0.02 0.14 -0.11 0.42 -0.92 0.00 0.00 175.35 174.85 3kqx s ILE 369 N 0.54 0.94 -0.20 2.17 1.01 -0.13 -0.36 121.20 125.17 3kqx s ILE 369 Ca -0.09 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.05 3kqx s ILE 369 Cb -0.16 -0.81 -0.02 0.00 0.01 0.00 0.00 42.46 41.48 3kqx s ILE 369 CO 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 174.94 175.24 3kqx s ALA 370 N 0.02 2.98 -0.21 9.38 0.00 -0.25 -0.59 121.76 133.08 3kqx s ALA 370 Ca -0.01 -0.99 -0.06 0.00 0.00 0.00 0.00 51.96 50.90 3kqx s ALA 370 Cb -0.08 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.30 3kqx s ALA 370 CO 0.00 -0.14 0.02 -0.51 0.00 0.00 0.00 175.76 175.14 3kqx s LEU 371 N 0.98 3.37 -0.17 0.00 1.43 0.37 -1.38 118.68 123.28 3kqx s LEU 371 Ca 0.01 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3kqx s LEU 371 Cb -0.14 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.23 3kqx s LEU 371 CO 0.01 0.06 -0.19 -0.69 0.23 0.00 0.00 176.35 175.77 3kqx s VAL 372 N 1.02 2.15 -0.06 -1.59 1.01 -0.40 -0.63 120.40 121.90 3kqx s VAL 372 Ca 0.02 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.12 3kqx s VAL 372 Cb -0.14 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3kqx s VAL 372 CO 0.02 0.53 -0.14 -0.83 0.00 0.00 0.00 175.10 174.68 3kqx s GLY 373 N 1.20 1.52 0.07 4.51 0.00 -0.32 -0.86 107.32 113.44 3kqx s GLY 373 Ca 0.03 -0.97 -0.31 0.00 0.00 0.00 0.00 44.72 43.47 3kqx s GLY 373 CO -0.10 -0.68 1.44 1.25 0.00 0.00 0.00 173.10 175.01 3kqx s LYS 374 N -0.55 4.29 -0.47 2.90 2.20 -0.51 -4.15 119.74 123.44 3kqx s LYS 374 Ca 0.08 2.08 0.08 0.00 -0.36 0.00 0.00 55.97 57.85 3kqx s LYS 374 Cb -0.11 -3.42 0.31 0.00 -1.51 0.00 0.00 37.83 33.10 3kqx s LYS 374 CO 0.01 -0.54 0.76 0.41 -0.36 0.00 0.00 175.35 175.63 3kqx n GLY 375 N 3.63 4.22 3.52 5.54 0.00 -1.26 -1.47 105.19 119.38 3kqx n GLY 375 Ca 0.13 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3kqx n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqx s ILE 376 N -2.79 4.61 -0.18 -0.61 -1.09 -1.08 -1.98 121.20 118.09 3kqx s ILE 376 Ca 0.42 0.27 0.26 0.00 -2.23 0.00 0.00 60.65 59.36 3kqx s ILE 376 Cb 0.27 -4.37 0.32 0.00 -1.58 0.00 0.00 42.46 37.09 3kqx s ILE 376 CO -0.09 -0.83 1.74 0.71 -1.23 0.00 0.00 174.94 175.24 3kqx h THR 377 N 5.97 0.15 -2.63 2.92 1.35 -1.15 -1.95 112.91 117.56 3kqx h THR 377 Ca -0.25 -0.98 -0.11 0.00 -0.55 0.00 0.00 66.41 64.51 3kqx h THR 377 Cb 1.08 1.86 -0.25 0.00 -1.73 0.00 0.00 68.15 69.12 3kqx h THR 377 CO 0.99 0.07 -0.24 0.12 -0.25 0.00 0.00 175.52 176.22 3kqx s PHE 378 N -3.38 -0.56 -0.43 4.73 5.36 -1.26 -4.45 117.98 117.98 3kqx s PHE 378 Ca 0.04 1.27 0.01 0.00 -0.96 0.00 0.00 56.93 57.29 3kqx s PHE 378 Cb 0.07 0.23 0.12 0.00 -0.34 0.00 0.00 43.02 43.10 3kqx s PHE 378 CO 0.63 -0.30 0.19 0.34 -1.46 0.00 0.00 175.22 174.63 3kqx s ASP 379 N 0.84 4.95 0.34 6.13 2.15 -1.20 -1.46 116.67 128.42 3kqx s ASP 379 Ca -0.05 -2.34 0.27 0.00 0.43 0.00 0.00 52.55 50.86 3kqx s ASP 379 Cb -0.06 -1.74 0.95 0.00 -0.30 0.00 0.00 42.92 41.78 3kqx s ASP 379 CO -0.07 -0.42 1.78 0.77 -0.17 0.00 0.00 175.17 177.07 3kqx h SER 380 N 7.52 0.00 0.00 -0.34 4.64 -1.76 -3.45 113.55 120.16 3kqx h SER 380 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kqx h SER 380 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 3kqx h SER 380 CO 0.64 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 3kqx n GLY 381 N 0.47 3.30 7.00 -0.77 0.00 -1.26 -0.74 105.19 113.19 3kqx n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kqx n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 382 N -1.44 0.23 0.35 -0.02 0.00 -1.26 -2.41 105.19 100.64 3kqx n GLY 382 Ca 0.00 -0.91 0.18 0.00 0.00 0.00 0.00 46.02 45.28 3kqx n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqx h TYR 383 N 0.00 0.00 -0.11 1.61 0.05 -1.82 -1.57 116.97 115.12 3kqx h TYR 383 Ca 0.00 0.00 -0.70 0.00 0.05 0.00 0.00 58.73 58.08 3kqx h TYR 383 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3kqx h TYR 383 CO 0.00 0.00 3.26 0.09 -1.05 0.00 0.00 178.16 180.46 3kqx n ASN 384 N -4.32 5.40 -4.76 3.88 4.13 -1.23 -4.98 115.26 113.38 3kqx n ASN 384 Ca 0.06 -2.79 -0.39 0.00 1.68 0.00 0.00 54.58 53.15 3kqx n ASN 384 Cb 0.48 -1.61 0.02 0.00 -1.54 0.00 0.00 39.78 37.13 3kqx n ASN 384 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3kqx s LEU 385 N 1.39 3.97 -1.21 3.41 2.96 -0.59 -4.53 118.68 124.07 3kqx s LEU 385 Ca 0.53 2.73 -0.21 0.00 -0.22 0.00 0.00 54.13 56.95 3kqx s LEU 385 Cb 0.15 -4.16 -0.05 0.00 0.50 0.00 0.00 46.19 42.63 3kqx s LEU 385 CO -0.08 -1.32 1.89 0.29 -1.32 0.00 0.00 176.35 175.81 3kqx n LYS 386 N -0.65 2.04 -0.00 1.98 5.02 0.08 -4.52 118.16 122.10 3kqx n LYS 386 Ca 0.08 -2.67 0.03 0.00 -2.02 0.00 0.00 58.31 53.74 3kqx n LYS 386 Cb 0.45 -3.64 -0.04 0.00 -0.02 0.00 0.00 35.03 31.77 3kqx n LYS 386 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqx n ALA 387 N 12.53 2.86 -1.80 7.82 0.00 -1.26 -4.64 120.51 136.02 3kqx n ALA 387 Ca 0.46 -0.20 -0.34 0.00 0.00 0.00 0.00 53.44 53.36 3kqx n ALA 387 Cb 0.46 -0.26 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 3kqx n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqx s ALA 388 N -1.75 2.94 0.22 0.00 0.00 -1.26 -4.97 121.76 116.94 3kqx s ALA 388 Ca 0.02 0.60 -0.32 0.00 0.00 0.00 0.00 51.96 52.26 3kqx s ALA 388 Cb 0.05 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 3kqx s ALA 388 CO 0.29 -0.22 1.66 -2.30 0.00 0.00 0.00 175.76 175.18 3kqx n PRO 389 N -0.72 2.62 -0.27 0.00 -0.02 -1.26 -1.83 135.00 133.52 3kqx n PRO 389 Ca 0.08 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 3kqx n PRO 389 Cb 0.52 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 3kqx n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 390 N 3.40 0.93 0.13 -1.23 0.00 -1.26 -4.94 105.19 102.22 3kqx n GLY 390 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3kqx n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqx h SER 391 N 0.00 0.00 -6.43 1.61 4.64 -1.73 -3.47 113.55 108.17 3kqx h SER 391 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3kqx h SER 391 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3kqx h SER 391 CO 0.00 0.00 -0.91 0.23 -0.87 0.00 0.00 176.83 175.28 3kqx n MET 392 N -2.32 -2.62 0.28 4.77 2.81 -1.26 -4.87 117.12 113.90 3kqx n MET 392 Ca 0.04 0.41 0.13 0.00 -1.81 0.00 0.00 57.70 56.47 3kqx n MET 392 Cb 0.35 -4.34 0.79 0.00 -0.71 0.00 0.00 33.22 29.32 3kqx n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqx h ILE 393 N -1.89 0.58 0.00 2.02 2.10 -1.92 -1.23 117.51 117.16 3kqx h ILE 393 Ca -0.64 -0.32 0.00 0.00 1.08 0.00 0.00 64.86 64.97 3kqx h ILE 393 Cb 1.37 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 3kqx h ILE 393 CO 0.58 0.07 0.00 -0.90 -1.08 0.00 0.00 178.15 176.82 3kqx n ASP 394 N -3.75 0.00 0.00 2.19 5.75 -1.26 -2.23 116.55 117.25 3kqx n ASP 394 Ca -0.02 0.45 0.11 0.00 -0.01 0.00 0.00 54.79 55.32 3kqx n ASP 394 Cb 0.18 -0.48 0.12 0.00 -1.03 0.00 0.00 41.12 39.91 3kqx n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kqx n LEU 395 N -1.48 0.66 0.00 -2.12 7.94 -0.46 -4.64 117.00 116.90 3kqx n LEU 395 Ca 0.05 -0.15 0.12 0.00 -1.11 0.00 0.00 56.01 54.91 3kqx n LEU 395 Cb 0.20 -0.16 0.69 0.00 0.53 0.00 0.00 43.42 44.67 3kqx n LEU 395 CO 0.16 0.16 0.89 0.23 -1.11 0.00 0.00 177.39 177.72 3kqx n MET 396 N -1.53 0.82 0.24 1.96 2.81 -0.95 -1.44 117.12 119.03 3kqx n MET 396 Ca 0.05 0.00 0.16 0.00 -1.81 0.00 0.00 57.70 56.10 3kqx n MET 396 Cb 0.34 -1.44 0.85 0.00 -0.71 0.00 0.00 33.22 32.26 3kqx n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqx h LYS 397 N 0.00 0.00 -0.18 0.03 2.10 -1.82 -2.83 116.57 113.87 3kqx h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqx h LYS 397 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kqx h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqx n PHE 398 N -2.61 0.23 1.80 0.07 -0.00 -0.52 -3.97 117.46 112.45 3kqx n PHE 398 Ca -0.02 -0.12 0.12 0.00 -0.00 0.00 0.00 57.45 57.44 3kqx n PHE 398 Cb 0.06 0.00 0.64 0.00 -0.00 0.00 0.00 39.48 40.17 3kqx n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqx n ASP 399 N 0.25 0.48 -1.65 5.98 2.03 -1.07 -1.08 116.55 121.49 3kqx n ASP 399 Ca 0.15 -1.36 0.08 0.00 0.52 0.00 0.00 54.79 54.19 3kqx n ASP 399 Cb 0.30 -0.02 0.37 0.00 -0.72 0.00 0.00 41.12 41.05 3kqx n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqx n MET 400 N -0.54 4.11 0.09 -0.67 0.00 -0.73 -2.64 117.12 116.75 3kqx n MET 400 Ca 0.18 -2.98 0.11 0.00 0.00 0.00 0.00 57.70 55.01 3kqx n MET 400 Cb 0.16 -2.02 0.59 0.00 0.00 0.00 0.00 33.22 31.95 3kqx n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqx h SER 401 N 3.91 0.15 -0.19 3.17 0.02 -1.27 -0.32 113.55 119.02 3kqx h SER 401 Ca 0.00 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3kqx h SER 401 Cb 1.64 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 3kqx h SER 401 CO 0.32 0.10 -0.04 1.23 -1.14 0.00 0.00 176.83 177.30 3kqx h GLY 402 N 0.17 0.40 1.02 -3.77 0.00 -1.76 -1.37 103.07 97.75 3kqx h GLY 402 Ca 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3kqx h GLY 402 CO -0.02 0.30 0.17 0.00 0.00 0.00 0.00 176.54 176.99 3kqx h ALA 404 N 1.05 0.64 -0.79 0.00 0.00 -1.00 -0.36 119.26 118.80 3kqx h ALA 404 Ca 0.19 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3kqx h ALA 404 Cb 0.32 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 3kqx h ALA 404 CO -0.00 -0.15 0.49 0.00 0.00 0.00 0.00 179.25 179.59 3kqx h ALA 405 N 1.30 1.06 -0.46 0.00 0.00 -0.95 0.24 119.26 120.45 3kqx h ALA 405 Ca 0.24 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3kqx h ALA 405 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kqx h ALA 405 CO -0.20 0.26 -0.17 0.28 0.00 0.00 0.00 179.25 179.42 3kqx h VAL 406 N 0.93 1.27 -0.14 0.00 2.07 -0.90 0.16 116.25 119.65 3kqx h VAL 406 Ca 0.33 -1.31 -0.22 0.00 0.82 0.00 0.00 66.70 66.33 3kqx h VAL 406 Cb 0.08 1.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3kqx h VAL 406 CO -0.14 0.45 -0.77 -0.07 0.02 0.00 0.00 177.57 177.06 3kqx h LEU 407 N 0.80 0.85 -0.79 2.57 4.07 -0.61 -0.57 115.31 121.63 3kqx h LEU 407 Ca 0.12 -0.56 -0.05 0.00 0.08 0.00 0.00 57.88 57.47 3kqx h LEU 407 Cb 0.71 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 3kqx h LEU 407 CO 0.05 1.35 0.31 1.23 -1.08 0.00 0.00 178.44 180.30 3kqx h GLY 408 N 0.72 1.27 0.76 0.83 0.00 -0.39 -0.98 103.07 105.29 3kqx h GLY 408 Ca -0.05 -0.70 0.05 0.00 0.00 0.00 0.00 47.33 46.62 3kqx h GLY 408 CO 0.15 0.66 0.37 0.00 0.00 0.00 0.00 176.54 177.73 3kqx h ALA 410 N 1.31 0.90 -0.35 0.00 0.00 -0.37 0.19 119.26 120.95 3kqx h ALA 410 Ca 0.28 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.24 3kqx h ALA 410 Cb 0.12 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 3kqx h ALA 410 CO -0.15 0.20 -0.31 -0.92 0.00 0.00 0.00 179.25 178.07 3kqx h TYR 411 N 0.84 -0.87 -0.42 0.00 3.20 -0.94 0.16 116.97 118.95 3kqx h TYR 411 Ca 0.28 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 62.09 3kqx h TYR 411 Cb 0.02 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kqx h TYR 411 CO -0.04 -0.38 -0.18 0.00 -1.64 0.00 0.00 178.16 175.92 3kqx h VAL 413 N 0.69 1.24 0.00 0.00 2.07 -0.62 0.69 116.25 120.33 3kqx h VAL 413 Ca 0.10 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.71 3kqx h VAL 413 Cb 0.74 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3kqx h VAL 413 CO 0.06 0.30 -0.15 1.23 0.02 0.00 0.00 177.57 179.03 3kqx h GLY 414 N 0.48 0.00 0.27 2.17 0.00 -0.61 0.19 103.07 105.57 3kqx h GLY 414 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.19 3kqx h GLY 414 CO 0.01 0.00 -1.34 -0.84 0.00 0.00 0.00 176.54 174.36 3kqx h THR 415 N 0.00 0.96 0.00 4.70 2.02 -0.99 -3.39 112.91 116.22 3kqx h THR 415 Ca -0.00 -2.28 -0.09 0.00 0.77 0.00 0.00 66.41 64.80 3kqx h THR 415 Cb 0.47 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 3kqx h THR 415 CO 0.02 0.55 -0.77 -0.07 0.37 0.00 0.00 175.52 175.62 3kqx h LEU 416 N -0.60 0.00 -1.99 2.58 3.38 -0.74 -3.49 115.31 114.45 3kqx h LEU 416 Ca -0.32 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.37 3kqx h LEU 416 Cb 1.55 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.46 3kqx h LEU 416 CO -0.06 0.37 -0.74 0.29 0.09 0.00 0.00 178.44 178.38 3kqx n LYS 417 N -3.02 -4.59 -1.71 1.13 5.02 0.04 -4.94 118.16 110.09 3kqx n LYS 417 Ca -0.01 0.79 -0.37 0.00 -2.02 0.00 0.00 58.31 56.70 3kqx n LYS 417 Cb 0.71 -5.58 0.07 0.00 -0.02 0.00 0.00 35.03 30.20 3kqx n LYS 417 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kqx n PRO 418 N -3.59 1.09 -2.25 1.97 -0.04 -1.26 -5.02 135.00 125.90 3kqx n PRO 418 Ca -0.19 0.43 -0.27 0.00 -0.04 0.00 0.00 63.50 63.42 3kqx n PRO 418 Cb 0.64 -2.48 0.04 0.00 -0.04 0.00 0.00 33.50 31.66 3kqx n PRO 418 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kqx s GLU 419 N -3.28 2.78 -1.67 0.54 2.02 -1.26 -4.55 118.70 113.27 3kqx s GLU 419 Ca 0.82 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.87 3kqx s GLU 419 Cb -0.39 -2.20 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3kqx s GLU 419 CO 0.41 -0.87 0.00 0.09 0.02 0.00 0.00 175.26 174.91 3kqx n ASN 420 N -2.74 -4.98 -4.09 -0.19 3.02 -1.24 -4.97 115.26 100.07 3kqx n ASN 420 Ca 0.06 0.22 -0.11 0.00 -0.03 0.00 0.00 54.58 54.71 3kqx n ASN 420 Cb 0.58 -4.29 -0.11 0.00 -0.61 0.00 0.00 39.78 35.35 3kqx n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kqx s VAL 421 N -2.73 0.50 -0.11 2.41 -7.23 -1.26 -0.54 120.40 111.44 3kqx s VAL 421 Ca 0.00 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 3kqx s VAL 421 Cb 0.00 -0.99 0.02 0.00 0.56 0.00 0.00 36.38 35.97 3kqx s VAL 421 CO 0.00 -0.61 -0.11 -0.70 -0.31 0.00 0.00 175.10 173.36 3kqx s GLU 422 N -2.50 1.86 -0.13 4.82 2.12 -0.58 -0.65 118.70 123.64 3kqx s GLU 422 Ca -0.02 -0.41 0.03 0.00 0.36 0.00 0.00 54.97 54.92 3kqx s GLU 422 Cb -0.03 -1.72 0.01 0.00 0.26 0.00 0.00 34.13 32.65 3kqx s GLU 422 CO -0.02 -0.16 -0.21 0.42 -0.54 0.00 0.00 175.26 174.74 3kqx s ILE 423 N 1.31 2.00 -0.21 -3.70 -1.09 0.77 -0.95 121.20 119.33 3kqx s ILE 423 Ca -0.01 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.39 3kqx s ILE 423 Cb -0.14 -1.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 3kqx s ILE 423 CO -0.05 0.54 0.06 -1.00 -1.23 0.00 0.00 174.94 173.26 3kqx s HIS 424 N 0.79 3.18 -0.36 3.97 3.76 0.24 -0.26 115.29 126.61 3kqx s HIS 424 Ca -0.08 -0.10 -0.05 0.00 -0.15 0.00 0.00 55.06 54.67 3kqx s HIS 424 Cb -0.16 -2.13 0.06 0.00 1.11 0.00 0.00 32.58 31.46 3kqx s HIS 424 CO -0.01 -0.03 0.13 -0.06 -0.85 0.00 0.00 174.74 173.91 3kqx s PHE 425 N 0.82 3.32 -0.02 1.40 0.08 -0.19 -0.48 117.98 122.92 3kqx s PHE 425 Ca 0.03 -1.68 0.07 0.00 0.12 0.00 0.00 56.93 55.47 3kqx s PHE 425 Cb -0.14 -2.52 -0.02 0.00 -0.57 0.00 0.00 43.02 39.78 3kqx s PHE 425 CO 0.02 -0.80 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.59 3kqx s LEU 426 N 1.34 2.21 -0.21 -0.37 1.43 0.20 -0.80 118.68 122.47 3kqx s LEU 426 Ca 0.00 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 3kqx s LEU 426 Cb -0.21 -1.38 0.08 0.00 0.03 0.00 0.00 46.19 44.71 3kqx s LEU 426 CO 0.01 0.32 0.49 -0.55 0.23 0.00 0.00 176.35 176.85 3kqx s SER 427 N -0.68 -0.56 -0.97 2.29 0.15 -0.66 -1.17 113.70 112.11 3kqx s SER 427 Ca 0.10 1.11 -0.20 0.00 0.70 0.00 0.00 55.95 57.66 3kqx s SER 427 Cb -0.10 1.30 0.10 0.00 -1.71 0.00 0.00 66.02 65.61 3kqx s SER 427 CO -0.00 -0.22 1.26 0.00 1.20 0.00 0.00 173.24 175.48 3kqx s ALA 428 N 2.13 3.10 -0.08 5.45 0.00 -1.26 -0.58 121.76 130.53 3kqx s ALA 428 Ca -0.06 -2.56 -0.24 0.00 0.00 0.00 0.00 51.96 49.10 3kqx s ALA 428 Cb -0.10 -4.25 -0.03 0.00 0.00 0.00 0.00 23.12 18.74 3kqx s ALA 428 CO -0.15 -3.24 0.73 0.08 0.00 0.00 0.00 175.76 173.19 3kqx s VAL 429 N 3.62 5.02 0.30 0.00 1.01 -0.56 -4.14 120.40 125.65 3kqx s VAL 429 Ca 0.38 1.50 -0.12 0.00 0.00 0.00 0.00 61.98 63.75 3kqx s VAL 429 Cb -0.03 -4.07 0.05 0.00 0.00 0.00 0.00 36.38 32.33 3kqx s VAL 429 CO -0.10 0.22 0.62 0.00 0.00 0.00 0.00 175.10 175.84 3kqx s GLU 431 N -2.07 0.68 -0.60 0.00 2.12 -1.26 -0.62 118.70 116.95 3kqx s GLU 431 Ca 0.12 -0.22 -0.15 0.00 0.36 0.00 0.00 54.97 55.09 3kqx s GLU 431 Cb -0.04 -0.66 0.15 0.00 0.26 0.00 0.00 34.13 33.84 3kqx s GLU 431 CO 0.09 0.09 0.55 1.21 -0.54 0.00 0.00 175.26 176.66 3kqx s ASN 432 N 0.14 6.27 0.37 -1.70 2.47 -0.53 -4.37 114.94 117.59 3kqx s ASN 432 Ca -0.02 -2.03 0.05 0.00 0.42 0.00 0.00 52.86 51.29 3kqx s ASN 432 Cb -0.06 -2.19 -0.07 0.00 -1.45 0.00 0.00 41.25 37.48 3kqx s ASN 432 CO -0.00 -0.77 0.04 -0.04 -3.72 0.00 0.00 177.10 172.61 3kqx s MET 433 N 1.22 1.81 -0.19 0.43 -1.94 -1.26 -1.93 119.30 117.44 3kqx s MET 433 Ca 0.07 -2.02 -0.06 0.00 -1.71 0.00 0.00 55.69 51.97 3kqx s MET 433 Cb -0.25 -1.22 -0.03 0.00 2.01 0.00 0.00 34.83 35.34 3kqx s MET 433 CO -0.00 -0.14 0.02 0.08 -0.01 0.00 0.00 175.02 174.97 3kqx s VAL 434 N -3.02 4.25 0.19 -6.03 1.01 -1.26 -4.53 120.40 111.00 3kqx s VAL 434 Ca 0.35 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.88 3kqx s VAL 434 Cb 0.09 -2.91 0.05 0.00 0.00 0.00 0.00 36.38 33.61 3kqx s VAL 434 CO 0.16 0.45 0.75 -0.55 0.00 0.00 0.00 175.10 175.91 3kqx s SER 435 N 0.68 -0.34 0.62 3.32 0.15 -1.26 -4.99 113.70 111.87 3kqx s SER 435 Ca 0.01 -0.33 0.33 0.00 0.70 0.00 0.00 55.95 56.66 3kqx s SER 435 Cb -0.14 0.61 1.90 0.00 -1.71 0.00 0.00 66.02 66.69 3kqx s SER 435 CO 0.02 -1.08 2.19 0.07 1.20 0.00 0.00 173.24 175.63 3kqx h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.98 -2.99 116.57 121.13 3kqx h LYS 436 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3kqx h LYS 436 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3kqx h LYS 436 CO 0.29 0.00 -0.28 0.09 -2.00 0.00 0.00 179.45 177.54 3kqx n ASN 437 N -3.51 1.50 -4.78 7.07 5.03 -1.26 -4.99 115.26 114.33 3kqx n ASN 437 Ca -0.01 -1.22 -0.32 0.00 0.87 0.00 0.00 54.58 53.91 3kqx n ASN 437 Cb 0.21 0.22 0.07 0.00 -1.02 0.00 0.00 39.78 39.26 3kqx n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqx s SER 438 N -2.41 4.88 0.73 6.41 0.01 -1.13 -3.69 113.70 118.51 3kqx s SER 438 Ca 0.24 1.82 -0.11 0.00 1.31 0.00 0.00 55.95 59.21 3kqx s SER 438 Cb 0.19 -2.52 0.03 0.00 0.21 0.00 0.00 66.02 63.93 3kqx s SER 438 CO 0.50 -1.78 1.08 -0.72 0.41 0.00 0.00 173.24 172.73 3kqx s TYR 439 N -2.78 2.75 0.20 2.43 1.13 -1.26 -4.86 117.35 114.96 3kqx s TYR 439 Ca 0.62 1.52 0.11 0.00 -1.41 0.00 0.00 57.07 57.91 3kqx s TYR 439 Cb -0.17 -3.01 -0.04 0.00 -1.10 0.00 0.00 41.96 37.63 3kqx s TYR 439 CO 0.51 -1.60 -0.23 1.03 -2.51 0.00 0.00 175.55 172.76 3kqx s ARG 440 N -4.82 1.49 0.20 -3.49 0.52 -1.26 -4.64 118.95 106.95 3kqx s ARG 440 Ca 0.61 -1.53 -0.32 0.00 -0.52 0.00 0.00 55.73 53.97 3kqx s ARG 440 Cb -0.17 -1.75 -0.14 0.00 0.52 0.00 0.00 34.95 33.41 3kqx s ARG 440 CO 0.53 0.37 1.43 -2.30 0.02 0.00 0.00 175.30 175.35 3kqx n PRO 441 N 0.19 1.94 0.00 3.54 -0.02 -1.26 -1.85 135.00 137.53 3kqx n PRO 441 Ca -0.12 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3kqx n PRO 441 Cb 0.56 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3kqx n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 442 N 2.49 3.39 3.77 -1.23 0.00 0.11 -5.01 105.19 108.69 3kqx n GLY 442 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3kqx n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqx s ASP 443 N -1.02 6.12 -0.29 1.61 1.11 -0.77 -4.61 116.67 118.81 3kqx s ASP 443 Ca 0.00 2.84 -0.07 0.00 0.18 0.00 0.00 52.55 55.50 3kqx s ASP 443 Cb 0.00 -2.65 -0.00 0.00 1.07 0.00 0.00 42.92 41.34 3kqx s ASP 443 CO 0.00 -1.00 0.08 -0.63 1.18 0.00 0.00 175.17 174.80 3kqx s ILE 444 N -1.21 4.09 0.24 0.77 1.01 -1.26 -1.00 121.20 123.84 3kqx s ILE 444 Ca 0.58 -0.56 0.10 0.00 0.00 0.00 0.00 60.65 60.77 3kqx s ILE 444 Cb -0.42 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 3kqx s ILE 444 CO 0.55 0.14 -0.08 0.27 0.00 0.00 0.00 174.94 175.81 3kqx s ILE 445 N 1.53 3.15 -0.16 2.92 -4.36 -0.69 -4.90 121.20 118.69 3kqx s ILE 445 Ca 0.04 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 58.50 3kqx s ILE 445 Cb -0.17 -2.64 0.00 0.00 1.25 0.00 0.00 42.46 40.91 3kqx s ILE 445 CO 0.03 -0.29 -0.16 -0.89 0.24 0.00 0.00 174.94 173.87 3kqx s THR 446 N -2.15 2.54 0.77 8.37 2.01 -1.26 0.01 115.64 125.93 3kqx s THR 446 Ca 0.29 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 3kqx s THR 446 Cb -0.07 -2.07 0.05 0.00 0.01 0.00 0.00 72.50 70.42 3kqx s THR 446 CO 0.17 0.52 1.09 0.00 -0.69 0.00 0.00 174.62 175.71 3kqx s ALA 447 N 0.95 2.40 -0.47 7.40 0.00 -0.21 -2.29 121.76 129.54 3kqx s ALA 447 Ca -0.03 -0.20 0.21 0.00 0.00 0.00 0.00 51.96 51.94 3kqx s ALA 447 Cb -0.15 -3.10 0.96 0.00 0.00 0.00 0.00 23.12 20.83 3kqx s ALA 447 CO -0.03 -1.58 1.64 -1.13 0.00 0.00 0.00 175.76 174.67 3kqx n SER 448 N -3.33 0.55 -0.84 0.00 3.41 -1.00 -1.14 113.62 111.28 3kqx n SER 448 Ca 0.07 0.67 0.06 0.00 -0.26 0.00 0.00 58.87 59.41 3kqx n SER 448 Cb 0.56 -0.77 0.18 0.00 -0.26 0.00 0.00 64.21 63.92 3kqx n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqx n ASN 449 N -2.15 2.41 0.00 4.04 6.94 -1.26 -4.93 115.26 120.31 3kqx n ASN 449 Ca 0.01 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.48 3kqx n ASN 449 Cb 0.16 -0.33 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 3kqx n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqx n GLY 450 N 0.99 1.74 3.72 4.83 0.00 -0.29 -5.04 105.19 111.14 3kqx n GLY 450 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kqx n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqx s LYS 451 N -0.33 4.42 0.02 1.61 1.02 -1.26 -4.77 119.74 120.45 3kqx s LYS 451 Ca 0.00 1.92 -0.17 0.00 0.02 0.00 0.00 55.97 57.74 3kqx s LYS 451 Cb 0.00 -3.27 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 3kqx s LYS 451 CO 0.00 -0.25 0.48 0.95 -0.92 0.00 0.00 175.35 175.61 3kqx s THR 452 N 0.60 4.93 -0.07 2.17 -4.23 -1.26 -1.04 115.64 116.73 3kqx s THR 452 Ca 0.58 1.01 0.02 0.00 -1.18 0.00 0.00 61.69 62.12 3kqx s THR 452 Cb -0.33 -3.80 0.01 0.00 1.34 0.00 0.00 72.50 69.72 3kqx s THR 452 CO 0.33 0.54 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.19 3kqx s ILE 453 N -0.90 1.19 -0.30 2.99 1.01 0.10 -2.01 121.20 123.27 3kqx s ILE 453 Ca 0.26 -0.51 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 3kqx s ILE 453 Cb -0.18 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3kqx s ILE 453 CO 0.15 0.37 0.51 -0.70 0.00 0.00 0.00 174.94 175.27 3kqx s GLU 454 N 0.67 3.86 -0.17 2.79 2.12 -0.27 -1.71 118.70 125.98 3kqx s GLU 454 Ca -0.14 0.08 -0.29 0.00 0.36 0.00 0.00 54.97 54.98 3kqx s GLU 454 Cb -0.16 -3.73 -0.02 0.00 0.26 0.00 0.00 34.13 30.48 3kqx s GLU 454 CO 0.04 -0.49 1.37 0.08 -0.54 0.00 0.00 175.26 175.72 3kqx s VAL 455 N 2.36 4.08 -0.06 3.70 1.01 -0.17 -1.56 120.40 129.74 3kqx s VAL 455 Ca 0.20 1.28 0.17 0.00 0.00 0.00 0.00 61.98 63.63 3kqx s VAL 455 Cb -0.15 -3.90 -0.25 0.00 0.00 0.00 0.00 36.38 32.07 3kqx s VAL 455 CO 0.11 -0.19 0.29 0.61 0.00 0.00 0.00 175.10 175.92 3kqx n GLY 456 N 3.92 -0.81 3.37 4.51 0.00 -1.26 0.05 105.19 114.97 3kqx n GLY 456 Ca 0.15 -0.38 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 3kqx n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqx s ASN 457 N -4.32 -0.55 0.13 1.61 3.84 -1.26 -4.76 114.94 109.63 3kqx s ASN 457 Ca -0.07 1.12 0.19 0.00 0.21 0.00 0.00 52.86 54.31 3kqx s ASN 457 Cb 0.09 1.35 0.81 0.00 -0.55 0.00 0.00 41.25 42.95 3kqx s ASN 457 CO 0.72 -0.22 1.59 0.35 -2.79 0.00 0.00 177.10 176.75 3kqx n THR 458 N 4.96 0.91 1.48 -5.21 -2.24 -1.26 -1.38 114.28 111.54 3kqx n THR 458 Ca -0.15 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 62.01 3kqx n THR 458 Cb 0.52 -1.08 0.52 0.00 -2.10 0.00 0.00 70.33 68.18 3kqx n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqx n ASP 459 N -1.89 1.49 -1.93 3.42 2.03 -1.01 -3.54 116.55 115.12 3kqx n ASP 459 Ca 0.03 -1.51 -0.18 0.00 0.52 0.00 0.00 54.79 53.64 3kqx n ASP 459 Cb 0.20 -0.01 0.04 0.00 -0.72 0.00 0.00 41.12 40.63 3kqx n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqx n ALA 460 N 0.17 5.21 0.19 -1.67 0.00 -0.48 -4.69 120.51 119.24 3kqx n ALA 460 Ca 0.19 -1.82 0.07 0.00 0.00 0.00 0.00 53.44 51.88 3kqx n ALA 460 Cb 0.35 -1.41 0.32 0.00 0.00 0.00 0.00 19.45 18.71 3kqx n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqx h GLU 461 N 1.50 0.00 -0.54 0.00 9.09 -1.78 -3.33 114.58 119.52 3kqx h GLU 461 Ca 0.32 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.66 3kqx h GLU 461 Cb 0.93 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.01 3kqx h GLU 461 CO 0.83 0.32 0.05 0.78 0.05 0.00 0.00 179.01 181.05 3kqx h GLY 462 N 2.43 0.99 2.00 1.06 0.00 -1.92 -2.38 103.07 105.26 3kqx h GLY 462 Ca -0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 3kqx h GLY 462 CO 0.04 0.64 -0.07 0.07 0.00 0.00 0.00 176.54 177.22 3kqx h ARG 463 N 0.80 0.00 -0.05 4.80 0.11 -1.95 -0.29 114.38 117.80 3kqx h ARG 463 Ca 0.16 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.18 3kqx h ARG 463 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 3kqx h ARG 463 CO 0.02 0.07 -0.19 -0.07 0.10 0.00 0.00 179.97 179.90 3kqx h LEU 464 N 0.00 0.25 -0.41 0.08 3.38 -1.58 0.16 115.31 117.18 3kqx h LEU 464 Ca -0.00 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 3kqx h LEU 464 Cb 0.67 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3kqx h LEU 464 CO 0.01 0.84 0.22 0.71 0.09 0.00 0.00 178.44 180.31 3kqx h THR 465 N -0.32 1.16 -0.43 0.22 1.35 -1.16 -3.06 112.91 110.66 3kqx h THR 465 Ca -0.01 -0.42 -0.07 0.00 -0.55 0.00 0.00 66.41 65.37 3kqx h THR 465 Cb 0.83 0.68 -0.02 0.00 -1.73 0.00 0.00 68.15 67.91 3kqx h THR 465 CO 0.04 0.17 -0.02 -0.07 -0.25 0.00 0.00 175.52 175.39 3kqx h LEU 466 N 0.53 0.69 -0.40 3.87 3.38 -1.06 -1.74 115.31 120.58 3kqx h LEU 466 Ca 0.14 -0.16 0.08 0.00 0.09 0.00 0.00 57.88 58.03 3kqx h LEU 466 Cb 0.07 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.57 3kqx h LEU 466 CO -0.02 0.77 -0.03 0.00 0.09 0.00 0.00 178.44 179.25 3kqx h ALA 467 N 1.31 0.34 -0.24 1.53 0.00 -0.86 0.26 119.26 121.59 3kqx h ALA 467 Ca 0.13 0.13 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 3kqx h ALA 467 Cb 0.44 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3kqx h ALA 467 CO 0.02 -0.41 -0.42 -0.44 0.00 0.00 0.00 179.25 178.00 3kqx h ASP 468 N 0.07 0.62 -0.27 0.00 3.32 -1.43 -2.30 116.42 116.44 3kqx h ASP 468 Ca 0.20 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 3kqx h ASP 468 Cb 0.29 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3kqx h ASP 468 CO -0.36 0.96 -0.01 0.00 -1.72 0.00 0.00 179.24 178.12 3kqx h ALA 469 N 1.07 1.27 -0.29 3.45 0.00 -0.56 -1.47 119.26 122.72 3kqx h ALA 469 Ca 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3kqx h ALA 469 Cb 0.93 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3kqx h ALA 469 CO 0.08 0.49 -0.18 -0.07 0.00 0.00 0.00 179.25 179.57 3kqx h LEU 470 N 0.58 0.66 -0.26 0.00 3.38 -0.43 0.33 115.31 119.57 3kqx h LEU 470 Ca 0.12 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.70 3kqx h LEU 470 Cb 0.38 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 3kqx h LEU 470 CO 0.01 0.95 0.02 0.58 0.09 0.00 0.00 178.44 180.09 3kqx h VAL 471 N 0.38 0.84 -0.44 1.22 2.07 -1.24 -0.65 116.25 118.43 3kqx h VAL 471 Ca 0.06 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.60 3kqx h VAL 471 Cb 0.71 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 3kqx h VAL 471 CO 0.05 0.02 0.15 0.22 0.02 0.00 0.00 177.57 178.03 3kqx h TYR 472 N 0.10 0.26 -0.70 1.57 3.20 -1.10 -1.88 116.97 118.42 3kqx h TYR 472 Ca 0.12 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.02 3kqx h TYR 472 Cb 0.15 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3kqx h TYR 472 CO -0.19 0.09 0.46 0.00 -1.64 0.00 0.00 178.16 176.88 3kqx h ALA 473 N 1.29 0.89 -0.27 1.82 0.00 -0.57 -2.59 119.26 119.83 3kqx h ALA 473 Ca 0.21 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3kqx h ALA 473 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3kqx h ALA 473 CO -0.22 0.32 -0.23 1.49 0.00 0.00 0.00 179.25 180.61 3kqx h GLU 474 N 0.95 0.50 0.00 0.00 4.81 -0.92 -1.25 114.58 118.67 3kqx h GLU 474 Ca 0.26 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kqx h GLU 474 Cb -0.10 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3kqx h GLU 474 CO -0.05 0.70 0.00 1.63 -0.73 0.00 0.00 179.01 180.55 3kqx n LYS 475 N -4.13 0.06 0.07 1.92 5.02 -0.72 -1.82 118.16 118.56 3kqx n LYS 475 Ca -0.00 0.32 0.12 0.00 -2.02 0.00 0.00 58.31 56.73 3kqx n LYS 475 Cb 0.39 -1.62 0.46 0.00 -0.02 0.00 0.00 35.03 34.25 3kqx n LYS 475 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kqx n LEU 476 N -1.73 0.48 -1.28 -0.35 4.77 -0.47 -4.95 117.00 113.47 3kqx n LEU 476 Ca 0.03 0.57 -0.03 0.00 -0.03 0.00 0.00 56.01 56.54 3kqx n LEU 476 Cb 0.18 -0.45 0.02 0.00 -2.33 0.00 0.00 43.42 40.84 3kqx n LEU 476 CO 0.15 -0.24 0.03 0.61 -1.33 0.00 0.00 177.39 176.61 3kqx n GLY 477 N 0.87 0.45 3.95 -0.72 0.00 -0.75 -5.05 105.19 103.95 3kqx n GLY 477 Ca 0.05 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 3kqx n GLY 477 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqx s VAL 478 N -3.06 5.28 0.01 1.61 0.11 -1.26 -4.97 120.40 118.12 3kqx s VAL 478 Ca 0.04 -0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 58.29 3kqx s VAL 478 Cb -0.02 -3.80 -0.27 0.00 -1.53 0.00 0.00 36.38 30.76 3kqx s VAL 478 CO 0.13 -0.22 0.90 0.44 -3.33 0.00 0.00 175.10 173.02 3kqx h ASP 479 N 1.65 0.36 -4.10 3.54 3.32 -1.09 -3.47 116.42 116.63 3kqx h ASP 479 Ca -0.50 -0.49 -0.32 0.00 0.02 0.00 0.00 57.03 55.73 3kqx h ASP 479 Cb 1.21 -0.12 -0.27 0.00 0.22 0.00 0.00 39.33 40.37 3kqx h ASP 479 CO 0.65 1.41 -0.75 -0.31 -1.72 0.00 0.00 179.24 178.51 3kqx s TYR 480 N -2.62 0.56 -0.16 4.55 2.02 -1.12 -3.91 117.35 116.66 3kqx s TYR 480 Ca -0.08 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.45 3kqx s TYR 480 Cb 0.07 -0.36 0.02 0.00 -0.40 0.00 0.00 41.96 41.29 3kqx s TYR 480 CO 0.85 -0.02 -0.20 0.42 -1.57 0.00 0.00 175.55 175.03 3kqx s ILE 481 N -0.40 2.01 -0.15 2.71 1.01 -0.32 -1.09 121.20 124.96 3kqx s ILE 481 Ca -0.00 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.75 3kqx s ILE 481 Cb -0.04 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.64 3kqx s ILE 481 CO -0.00 0.53 -0.21 -0.69 0.00 0.00 0.00 174.94 174.58 3kqx s VAL 482 N 1.15 2.00 0.09 2.92 1.01 -0.48 -1.43 120.40 125.66 3kqx s VAL 482 Ca 0.01 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.09 3kqx s VAL 482 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3kqx s VAL 482 CO -0.09 0.54 0.04 1.51 0.00 0.00 0.00 175.10 177.09 3kqx s ASP 483 N 0.97 5.25 -0.02 3.32 1.47 0.10 -1.27 116.67 126.49 3kqx s ASP 483 Ca -0.04 -0.10 0.01 0.00 1.18 0.00 0.00 52.55 53.60 3kqx s ASP 483 Cb -0.15 -1.33 0.01 0.00 -0.34 0.00 0.00 42.92 41.12 3kqx s ASP 483 CO -0.05 0.17 -0.03 -0.51 0.68 0.00 0.00 175.17 175.43 3kqx s ILE 484 N -1.35 0.31 -0.28 2.11 2.07 -0.04 -0.02 121.20 124.00 3kqx s ILE 484 Ca 0.27 -0.09 -0.22 0.00 -1.41 0.00 0.00 60.65 59.21 3kqx s ILE 484 Cb -0.12 -0.32 0.10 0.00 0.13 0.00 0.00 42.46 42.25 3kqx s ILE 484 CO 0.20 0.13 0.87 0.00 -1.91 0.00 0.00 174.94 174.23 3kqx s ALA 485 N 0.41 -1.96 -1.33 1.50 0.00 -0.79 -1.43 121.76 118.16 3kqx s ALA 485 Ca -0.04 2.08 -0.17 0.00 0.00 0.00 0.00 51.96 53.83 3kqx s ALA 485 Cb -0.07 -1.41 0.07 0.00 0.00 0.00 0.00 23.12 21.70 3kqx s ALA 485 CO -0.01 -0.31 1.85 0.25 0.00 0.00 0.00 175.76 177.54 3kqx n THR 486 N 2.99 3.85 -0.08 0.00 -2.24 -1.26 -0.07 114.28 117.48 3kqx n THR 486 Ca -0.15 -3.88 -0.22 0.00 -2.27 0.00 0.00 64.05 57.53 3kqx n THR 486 Cb 0.56 -2.42 -0.12 0.00 -2.10 0.00 0.00 70.33 66.25 3kqx n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kqx n LEU 487 N 7.56 2.11 -3.78 3.22 7.94 -1.26 -4.75 117.00 128.03 3kqx n LEU 487 Ca 0.49 0.35 -0.19 0.00 -1.11 0.00 0.00 56.01 55.54 3kqx n LEU 487 Cb 0.44 -1.00 -0.17 0.00 0.53 0.00 0.00 43.42 43.22 3kqx n LEU 487 CO 0.80 0.47 -0.37 0.42 -1.11 0.00 0.00 177.39 177.60 3kqx s THR 488 N -2.43 0.20 0.60 1.96 -4.23 -1.26 -4.96 115.64 105.51 3kqx s THR 488 Ca -0.28 0.14 0.31 0.00 -1.18 0.00 0.00 61.69 60.69 3kqx s THR 488 Cb 0.07 -0.33 0.37 0.00 1.34 0.00 0.00 72.50 73.94 3kqx s THR 488 CO 0.64 0.18 2.19 1.23 -0.54 0.00 0.00 174.62 178.32 3kqx h GLY 489 N 7.73 0.00 1.45 3.99 0.00 -1.93 -2.05 103.07 112.26 3kqx h GLY 489 Ca -0.31 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3kqx h GLY 489 CO 0.36 0.00 0.25 0.00 0.00 0.00 0.00 176.54 177.15 3kqx h ALA 490 N 1.87 1.53 -0.97 3.60 0.00 -1.96 -2.06 119.26 121.27 3kqx h ALA 490 Ca 0.04 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3kqx h ALA 490 Cb 0.25 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 3kqx h ALA 490 CO -0.00 -0.30 0.61 0.52 0.00 0.00 0.00 179.25 180.08 3kqx h MET 491 N 0.00 0.87 -0.76 0.00 2.86 -1.76 0.36 114.93 116.50 3kqx h MET 491 Ca 0.05 -0.05 0.22 0.00 -2.06 0.00 0.00 59.70 57.86 3kqx h MET 491 Cb 0.54 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.98 3kqx h MET 491 CO -0.00 0.57 0.61 -0.07 1.06 0.00 0.00 176.91 179.08 3kqx h LEU 492 N 0.89 0.00 0.00 1.22 3.38 -1.58 -0.42 115.31 118.80 3kqx h LEU 492 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3kqx h LEU 492 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3kqx h LEU 492 CO -0.26 0.00 -1.25 -1.22 0.09 0.00 0.00 178.44 175.80 3kqx n TYR 493 N -4.09 0.31 -0.12 1.13 4.02 0.08 -3.19 117.16 115.30 3kqx n TYR 493 Ca 0.16 0.09 -0.26 0.00 -0.01 0.00 0.00 57.90 57.88 3kqx n TYR 493 Cb 0.88 -0.52 -0.09 0.00 -0.02 0.00 0.00 39.34 39.60 3kqx n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqx n SER 494 N -2.13 1.85 -0.00 7.72 3.41 -0.95 -4.79 113.62 118.72 3kqx n SER 494 Ca 0.00 0.32 0.04 0.00 -0.26 0.00 0.00 58.87 58.97 3kqx n SER 494 Cb 0.48 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.61 3kqx n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 495 N -4.20 0.03 0.00 1.04 4.77 -0.35 -5.11 117.00 113.18 3kqx n LEU 495 Ca -0.47 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 3kqx n LEU 495 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 3kqx n LEU 495 CO 0.05 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3kqx n GLY 496 N 1.97 0.08 0.11 -0.72 0.00 -0.32 -4.33 105.19 101.99 3kqx n GLY 496 Ca -0.01 -0.99 0.11 0.00 0.00 0.00 0.00 46.02 45.13 3kqx n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqx n THR 497 N 0.00 0.00 -0.10 2.61 -2.24 -1.26 -4.29 114.28 109.00 3kqx n THR 497 Ca 0.00 -0.06 -0.24 0.00 -2.27 0.00 0.00 64.05 61.49 3kqx n THR 497 Cb 0.00 0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 68.94 3kqx n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqx n SER 498 N -1.15 1.97 -4.55 3.42 7.64 -1.26 -4.22 113.62 115.46 3kqx n SER 498 Ca 0.06 0.24 -0.34 0.00 1.01 0.00 0.00 58.87 59.84 3kqx n SER 498 Cb 0.36 -0.79 -0.12 0.00 -1.01 0.00 0.00 64.21 62.66 3kqx n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqx s TYR 499 N -2.48 2.98 0.52 1.43 4.12 -1.26 -4.59 117.35 118.07 3kqx s TYR 499 Ca -0.32 -0.11 -0.08 0.00 0.02 0.00 0.00 57.07 56.58 3kqx s TYR 499 Cb 0.10 -1.81 -0.04 0.00 -1.52 0.00 0.00 41.96 38.69 3kqx s TYR 499 CO 0.60 0.19 0.88 0.00 0.02 0.00 0.00 175.55 177.23 3kqx s ALA 500 N -0.35 3.28 -0.04 3.71 0.00 -0.60 -4.66 121.76 123.10 3kqx s ALA 500 Ca 0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 51.96 51.69 3kqx s ALA 500 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3kqx s ALA 500 CO 0.02 -0.43 0.08 0.20 0.00 0.00 0.00 175.76 175.63 3kqx s GLY 501 N -4.00 2.01 -0.08 0.00 0.00 -1.16 -0.32 107.32 103.77 3kqx s GLY 501 Ca 0.51 -0.81 0.05 0.00 0.00 0.00 0.00 44.72 44.46 3kqx s GLY 501 CO 0.46 -0.64 -0.23 0.54 0.00 0.00 0.00 173.10 173.24 3kqx s VAL 502 N -1.10 2.21 0.15 1.40 0.11 -0.36 -0.77 120.40 122.04 3kqx s VAL 502 Ca 0.19 -0.99 0.09 0.00 -2.93 0.00 0.00 61.98 58.34 3kqx s VAL 502 Cb -0.12 -1.83 -0.04 0.00 -1.53 0.00 0.00 36.38 32.86 3kqx s VAL 502 CO 0.10 0.56 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.87 3kqx s PHE 503 N 0.04 1.89 -0.04 1.54 0.08 -0.03 -0.41 117.98 121.05 3kqx s PHE 503 Ca -0.09 -0.44 -0.29 0.00 0.12 0.00 0.00 56.93 56.23 3kqx s PHE 503 Cb -0.15 -0.97 0.10 0.00 -0.57 0.00 0.00 43.02 41.42 3kqx s PHE 503 CO 0.06 0.31 1.31 0.20 -0.10 0.00 0.00 175.22 176.99 3kqx s GLY 504 N -2.39 -0.14 0.00 4.36 0.00 -1.26 -0.29 107.32 107.60 3kqx s GLY 504 Ca 0.13 0.05 0.12 0.00 0.00 0.00 0.00 44.72 45.03 3kqx s GLY 504 CO 0.06 6.03 1.18 1.16 0.00 0.00 0.00 173.10 181.53 3kqx n ASN 505 N -1.06 2.78 -3.57 1.64 6.94 -0.26 -4.84 115.26 116.89 3kqx n ASN 505 Ca 0.05 -1.87 -0.09 0.00 -0.02 0.00 0.00 54.58 52.64 3kqx n ASN 505 Cb 0.58 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.72 3kqx n ASN 505 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kqx s ASN 506 N -1.01 -0.00 0.26 0.53 3.84 -1.26 -4.87 114.94 112.42 3kqx s ASN 506 Ca 0.23 0.70 0.00 0.00 0.21 0.00 0.00 52.86 54.01 3kqx s ASN 506 Cb 0.13 1.18 0.34 0.00 -0.55 0.00 0.00 41.25 42.34 3kqx s ASN 506 CO 0.17 -0.25 1.69 -0.33 -2.79 0.00 0.00 177.10 175.59 3kqx h GLU 507 N 8.19 0.56 -0.29 0.43 5.08 -1.96 -1.79 114.58 124.80 3kqx h GLU 507 Ca -0.17 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 3kqx h GLU 507 Cb 1.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3kqx h GLU 507 CO 0.17 0.77 0.15 0.93 -1.00 0.00 0.00 179.01 180.02 3kqx h GLU 508 N 0.49 0.30 0.11 2.33 3.07 -1.99 -0.99 114.58 117.90 3kqx h GLU 508 Ca 0.07 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3kqx h GLU 508 Cb 0.71 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.55 3kqx h GLU 508 CO 0.05 0.20 -0.07 1.25 -1.40 0.00 0.00 179.01 179.04 3kqx h LEU 509 N 0.31 -0.17 -0.67 1.33 5.85 -1.94 -1.12 115.31 118.89 3kqx h LEU 509 Ca 0.12 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.99 3kqx h LEU 509 Cb 0.03 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.01 3kqx h LEU 509 CO -0.07 -0.11 0.12 0.40 -0.34 0.00 0.00 178.44 178.44 3kqx h ILE 510 N -0.17 0.54 -0.23 4.05 2.04 -1.24 -0.21 117.51 122.29 3kqx h ILE 510 Ca -0.01 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3kqx h ILE 510 Cb 0.15 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 3kqx h ILE 510 CO 0.01 0.04 -0.14 0.78 0.00 0.00 0.00 178.15 178.83 3kqx h ASN 511 N 0.23 0.38 -0.04 1.72 2.35 -0.86 -0.12 115.58 119.24 3kqx h ASN 511 Ca 0.37 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 3kqx h ASN 511 Cb 0.60 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3kqx h ASN 511 CO -0.49 0.55 -0.33 0.11 -1.65 0.00 0.00 177.43 175.63 3kqx h LYS 512 N 0.36 0.52 -0.26 0.81 1.57 0.11 -0.42 116.57 119.26 3kqx h LYS 512 Ca 0.07 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.55 3kqx h LYS 512 Cb 0.48 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3kqx h LYS 512 CO 0.03 0.78 -0.14 0.82 -0.57 0.00 0.00 179.45 180.37 3kqx h ILE 513 N 0.44 1.30 -0.61 1.86 1.08 -0.49 -1.60 117.51 119.49 3kqx h ILE 513 Ca 0.05 -1.23 -0.04 0.00 -0.39 0.00 0.00 64.86 63.26 3kqx h ILE 513 Cb 0.78 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 36.06 3kqx h ILE 513 CO 0.06 0.38 0.23 -0.07 -0.69 0.00 0.00 178.15 178.07 3kqx h LEU 514 N 0.27 0.82 -0.42 1.44 3.38 -0.74 0.28 115.31 120.35 3kqx h LEU 514 Ca 0.06 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kqx h LEU 514 Cb 0.65 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3kqx h LEU 514 CO 0.04 0.75 0.23 -0.61 0.09 0.00 0.00 178.44 178.93 3kqx h GLN 515 N 0.88 0.44 0.00 1.13 5.75 -0.92 -1.23 115.11 121.16 3kqx h GLN 515 Ca 0.21 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.60 3kqx h GLN 515 Cb 0.19 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 3kqx h GLN 515 CO -0.02 0.29 -0.40 0.77 -2.65 0.00 0.00 178.83 176.83 3kqx h SER 516 N 0.46 0.00 -0.77 -0.69 0.02 -0.88 -1.72 113.55 109.97 3kqx h SER 516 Ca 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3kqx h SER 516 Cb 0.05 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3kqx h SER 516 CO -0.10 0.40 0.47 -1.28 -1.14 0.00 0.00 176.83 175.18 3kqx h SER 517 N 0.00 0.91 -0.49 3.07 0.87 -0.46 0.25 113.55 117.70 3kqx h SER 517 Ca -0.00 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.37 3kqx h SER 517 Cb 0.71 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3kqx h SER 517 CO 0.05 0.70 -0.21 0.50 -0.53 0.00 0.00 176.83 177.35 3kqx h LYS 518 N 1.05 1.01 0.00 2.24 3.64 -0.40 -1.19 116.57 122.92 3kqx h LYS 518 Ca 0.28 -0.43 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3kqx h LYS 518 Cb -0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3kqx h LYS 518 CO -0.05 1.11 -0.61 1.79 -2.27 0.00 0.00 179.45 179.41 3kqx h THR 519 N 0.87 0.35 0.00 1.00 1.35 -1.13 -3.19 112.91 112.16 3kqx h THR 519 Ca 0.11 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 64.43 3kqx h THR 519 Cb 0.79 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3kqx h THR 519 CO 0.07 0.20 -0.52 0.77 -0.25 0.00 0.00 175.52 175.78 3kqx h SER 520 N 0.00 0.00 -2.03 5.36 4.64 -0.97 -3.47 113.55 117.08 3kqx h SER 520 Ca -0.03 -0.12 -0.37 0.00 -0.47 0.00 0.00 61.79 60.80 3kqx h SER 520 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.25 3kqx h SER 520 CO 0.03 0.06 -0.43 0.59 -0.87 0.00 0.00 176.83 176.21 3kqx n ASN 521 N -2.33 -5.27 -4.30 4.97 3.02 -0.47 -4.84 115.26 106.04 3kqx n ASN 521 Ca 0.03 0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 3kqx n ASN 521 Cb 0.47 -4.35 -0.11 0.00 -0.61 0.00 0.00 39.78 35.18 3kqx n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqx s GLU 522 N -4.46 2.66 0.06 3.52 2.02 -1.08 -4.96 118.70 116.46 3kqx s GLU 522 Ca 0.00 -1.32 -0.30 0.00 0.02 0.00 0.00 54.97 53.37 3kqx s GLU 522 Cb 0.00 -3.73 -0.05 0.00 0.10 0.00 0.00 34.13 30.45 3kqx s GLU 522 CO 0.00 -0.85 1.10 -1.25 0.02 0.00 0.00 175.26 174.28 3kqx s PRO 523 N 1.46 4.51 0.08 0.39 0.04 -1.26 -4.58 135.00 135.63 3kqx s PRO 523 Ca 0.02 1.63 0.06 0.00 0.04 0.00 0.00 61.00 62.75 3kqx s PRO 523 Cb -0.21 -3.38 -0.03 0.00 0.04 0.00 0.00 34.50 30.92 3kqx s PRO 523 CO 0.03 -0.12 -0.17 0.08 0.04 0.00 0.00 177.00 176.87 3kqx s VAL 524 N 0.82 1.35 -0.05 -0.36 1.01 -1.26 -1.55 120.40 120.36 3kqx s VAL 524 Ca 0.55 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 61.23 3kqx s VAL 524 Cb -0.26 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3kqx s VAL 524 CO 0.30 -0.11 -0.15 0.86 0.00 0.00 0.00 175.10 175.99 3kqx s TRP 525 N -1.15 1.58 -0.03 5.22 -0.11 0.56 -4.89 118.94 120.11 3kqx s TRP 525 Ca 0.02 -0.47 -0.30 0.00 1.22 0.00 0.00 56.10 56.57 3kqx s TRP 525 Cb -0.10 -1.08 -0.04 0.00 -1.50 0.00 0.00 33.47 30.75 3kqx s TRP 525 CO 0.03 -0.18 1.21 -0.46 -4.62 0.00 0.00 176.95 172.93 3kqx s TRP 526 N 0.17 3.22 0.18 5.86 -0.00 -1.26 -1.23 118.94 125.88 3kqx s TRP 526 Ca -0.06 1.21 0.11 0.00 -0.00 0.00 0.00 56.10 57.36 3kqx s TRP 526 Cb -0.12 -3.43 -0.04 0.00 -0.00 0.00 0.00 33.47 29.87 3kqx s TRP 526 CO 0.02 -1.37 -0.24 -0.51 -0.00 0.00 0.00 176.95 174.86 3kqx s LEU 527 N 2.00 2.45 0.30 5.86 1.43 0.45 -4.90 118.68 126.27 3kqx s LEU 527 Ca 0.57 -0.83 -0.08 0.00 -1.03 0.00 0.00 54.13 52.76 3kqx s LEU 527 Cb -0.26 -1.21 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 3kqx s LEU 527 CO 0.24 0.13 0.61 -2.16 0.23 0.00 0.00 176.35 175.39 3kqx s PRO 528 N -2.59 3.73 -0.39 1.29 0.04 -1.26 -4.43 135.00 131.39 3kqx s PRO 528 Ca 0.20 0.21 -0.14 0.00 0.04 0.00 0.00 61.00 61.32 3kqx s PRO 528 Cb -0.08 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.89 3kqx s PRO 528 CO 0.10 0.19 0.26 0.42 0.04 0.00 0.00 177.00 178.00 3kqx s ILE 529 N -2.07 5.06 -0.47 0.56 1.01 -1.26 -4.84 121.20 119.19 3kqx s ILE 529 Ca 0.47 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 3kqx s ILE 529 Cb -0.11 -3.79 0.05 0.00 0.01 0.00 0.00 42.46 38.63 3kqx s ILE 529 CO 0.27 -0.24 0.52 -0.63 0.00 0.00 0.00 174.94 174.85 3kqx s ILE 530 N 1.65 5.03 0.36 2.92 1.01 -1.26 -4.93 121.20 125.98 3kqx s ILE 530 Ca 0.04 -0.61 0.29 0.00 0.00 0.00 0.00 60.65 60.38 3kqx s ILE 530 Cb -0.19 -4.19 0.31 0.00 0.01 0.00 0.00 42.46 38.40 3kqx s ILE 530 CO 0.09 -0.65 2.05 0.78 0.00 0.00 0.00 174.94 177.22 3kqx h ASN 531 N 8.86 0.00 -0.10 3.58 2.35 -1.99 -2.39 115.58 125.89 3kqx h ASN 531 Ca -0.27 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 3kqx h ASN 531 Cb 1.10 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.47 3kqx h ASN 531 CO 0.90 0.11 0.10 -0.08 -1.65 0.00 0.00 177.43 176.81 3kqx h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.05 -1.33 114.58 116.82 3kqx h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqx h GLU 532 Cb 0.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3kqx h GLU 532 CO 0.01 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.95 3kqx n TYR 533 N -4.05 0.20 -0.06 0.92 0.53 -0.90 -4.14 117.16 109.66 3kqx n TYR 533 Ca -0.00 0.06 0.05 0.00 -1.02 0.00 0.00 57.90 56.98 3kqx n TYR 533 Cb 0.20 -0.60 0.40 0.00 -1.03 0.00 0.00 39.34 38.31 3kqx n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqx h ARG 534 N 0.00 0.62 -0.03 -0.72 9.65 -1.41 -1.46 114.38 121.02 3kqx h ARG 534 Ca 0.00 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3kqx h ARG 534 Cb 0.51 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 28.95 3kqx h ARG 534 CO 0.00 0.41 0.04 0.00 2.80 0.00 0.00 179.97 183.22 3kqx h ALA 535 N 1.69 1.46 0.00 2.80 0.00 -1.78 -0.91 119.26 122.52 3kqx h ALA 535 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kqx h ALA 535 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3kqx h ALA 535 CO -0.05 -0.06 0.00 0.25 0.00 0.00 0.00 179.25 179.39 3kqx n THR 536 N -3.66 0.34 0.58 0.00 -2.24 -0.55 -1.67 114.28 107.07 3kqx n THR 536 Ca -0.02 0.08 0.10 0.00 -2.27 0.00 0.00 64.05 61.94 3kqx n THR 536 Cb 0.13 -0.71 0.27 0.00 -2.10 0.00 0.00 70.33 67.91 3kqx n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqx n LEU 537 N -1.33 2.66 -4.71 3.22 4.77 -0.35 -4.29 117.00 116.97 3kqx n LEU 537 Ca 0.09 -1.23 -0.42 0.00 -0.03 0.00 0.00 56.01 54.43 3kqx n LEU 537 Cb 0.20 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3kqx n LEU 537 CO 0.18 0.61 0.84 0.20 -1.33 0.00 0.00 177.39 177.90 3kqx s ASN 538 N -1.28 7.14 -0.06 -1.43 0.01 -0.67 -0.41 114.94 118.24 3kqx s ASN 538 Ca 0.35 1.94 -0.02 0.00 -0.71 0.00 0.00 52.86 54.42 3kqx s ASN 538 Cb 0.19 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 3kqx s ASN 538 CO 0.26 -0.43 0.04 -0.55 -1.51 0.00 0.00 177.10 174.91 3kqx s SER 539 N 1.06 5.46 0.27 -1.22 0.15 -1.26 -4.68 113.70 113.48 3kqx s SER 539 Ca 0.57 0.17 -0.00 0.00 0.70 0.00 0.00 55.95 57.39 3kqx s SER 539 Cb -0.28 -1.56 0.36 0.00 -1.71 0.00 0.00 66.02 62.84 3kqx s SER 539 CO 0.29 0.35 1.74 0.50 1.20 0.00 0.00 173.24 177.31 3kqx h LYS 540 N 4.79 0.65 0.00 5.44 1.63 -1.97 -3.38 116.57 123.74 3kqx h LYS 540 Ca -0.51 -0.21 -0.22 0.00 -0.85 0.00 0.00 60.65 58.87 3kqx h LYS 540 Cb 1.19 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 32.72 3kqx h LYS 540 CO 0.57 0.76 -1.82 0.66 -3.45 0.00 0.00 179.45 176.16 3kqx n TYR 541 N -4.17 0.00 -2.68 1.91 4.01 -1.26 -5.05 117.16 109.92 3kqx n TYR 541 Ca 0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.54 3kqx n TYR 541 Cb 0.35 -0.55 0.05 0.00 -0.31 0.00 0.00 39.34 38.88 3kqx n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqx s ALA 542 N -2.29 3.96 0.36 -0.72 0.00 -1.26 -5.00 121.76 116.81 3kqx s ALA 542 Ca -0.20 -1.48 0.04 0.00 0.00 0.00 0.00 51.96 50.32 3kqx s ALA 542 Cb 0.05 -1.99 0.68 0.00 0.00 0.00 0.00 23.12 21.87 3kqx s ALA 542 CO 0.33 -0.85 1.99 -0.44 0.00 0.00 0.00 175.76 176.79 3kqx h ASP 543 N 0.01 0.61 -5.01 0.00 3.32 -1.73 -3.39 116.42 110.24 3kqx h ASP 543 Ca -0.40 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.53 3kqx h ASP 543 Cb 1.29 -0.16 -0.18 0.00 0.22 0.00 0.00 39.33 40.50 3kqx h ASP 543 CO 0.49 0.49 -0.08 -0.51 -1.72 0.00 0.00 179.24 177.90 3kqx s ILE 544 N -5.50 0.04 0.28 0.35 2.07 -0.85 -4.49 121.20 113.09 3kqx s ILE 544 Ca -0.09 -0.34 -0.16 0.00 -1.41 0.00 0.00 60.65 58.64 3kqx s ILE 544 Cb 0.17 -0.85 -0.09 0.00 0.13 0.00 0.00 42.46 41.82 3kqx s ILE 544 CO 0.76 -0.19 0.72 0.20 -1.91 0.00 0.00 174.94 174.52 3kqx s ASN 545 N -1.60 6.87 0.20 4.50 0.01 0.46 -1.12 114.94 124.26 3kqx s ASN 545 Ca -0.09 1.31 -0.04 0.00 -0.71 0.00 0.00 52.86 53.33 3kqx s ASN 545 Cb -0.02 -2.38 0.13 0.00 0.41 0.00 0.00 41.25 39.39 3kqx s ASN 545 CO 0.03 -0.11 1.54 -0.61 -1.51 0.00 0.00 177.10 176.45 3kqx h GLN 546 N 2.73 0.66 -5.00 -0.60 4.15 -1.62 -3.47 115.11 111.97 3kqx h GLN 546 Ca -0.48 -0.35 -0.31 0.00 0.77 0.00 0.00 58.65 58.28 3kqx h GLN 546 Cb 1.18 0.02 -0.15 0.00 0.21 0.00 0.00 27.48 28.73 3kqx h GLN 546 CO 0.65 0.96 -0.72 0.96 -1.93 0.00 0.00 178.83 178.76 3kqx s ILE 547 N -4.23 1.06 0.10 2.39 -4.36 -1.26 -4.93 121.20 109.97 3kqx s ILE 547 Ca -0.08 -1.94 -0.23 0.00 -0.26 0.00 0.00 60.65 58.13 3kqx s ILE 547 Cb 0.12 -1.71 -0.07 0.00 1.25 0.00 0.00 42.46 42.05 3kqx s ILE 547 CO 0.84 -0.72 0.71 -0.55 0.24 0.00 0.00 174.94 175.47 3kqx s SER 548 N -2.98 7.24 0.07 4.36 0.15 -1.26 -4.76 113.70 116.52 3kqx s SER 548 Ca 0.13 1.47 0.24 0.00 0.70 0.00 0.00 55.95 58.50 3kqx s SER 548 Cb 0.02 -2.45 0.32 0.00 -1.71 0.00 0.00 66.02 62.20 3kqx s SER 548 CO -0.00 0.18 1.28 -1.54 1.20 0.00 0.00 173.24 174.35 3kqx n SER 549 N 1.98 0.63 -0.06 5.45 3.41 -1.26 -4.62 113.62 119.14 3kqx n SER 549 Ca -0.06 -0.05 -0.06 0.00 -0.26 0.00 0.00 58.87 58.44 3kqx n SER 549 Cb 0.50 0.32 -0.09 0.00 -0.26 0.00 0.00 64.21 64.68 3kqx n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqx n SER 550 N -1.92 2.19 -4.70 4.04 3.41 -1.26 -5.00 113.62 110.38 3kqx n SER 550 Ca 0.04 -0.01 -0.39 0.00 -0.26 0.00 0.00 58.87 58.25 3kqx n SER 550 Cb 0.41 0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 3kqx n SER 550 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqx s VAL 551 N -2.28 5.09 -1.79 -3.33 1.01 -1.26 -4.97 120.40 112.86 3kqx s VAL 551 Ca -0.07 1.18 0.27 0.00 0.00 0.00 0.00 61.98 63.36 3kqx s VAL 551 Cb 0.04 -3.93 0.29 0.00 0.00 0.00 0.00 36.38 32.78 3kqx s VAL 551 CO 0.47 0.23 1.59 0.29 0.00 0.00 0.00 175.10 177.67 3kqx n LYS 552 N 4.16 0.88 -2.39 2.72 4.76 -1.26 -4.64 118.16 122.38 3kqx n LYS 552 Ca -0.03 -0.51 -0.43 0.00 -2.87 0.00 0.00 58.31 54.47 3kqx n LYS 552 Cb 0.51 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 3kqx n LYS 552 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kqx n ALA 553 N -0.61 4.63 0.18 7.82 0.00 -1.26 -4.78 120.51 126.49 3kqx n ALA 553 Ca 0.13 -4.08 0.06 0.00 0.00 0.00 0.00 53.44 49.54 3kqx n ALA 553 Cb 0.35 -3.28 0.28 0.00 0.00 0.00 0.00 19.45 16.79 3kqx n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqx h SER 554 N 6.57 0.00 0.06 0.00 4.64 -1.97 -1.50 113.55 121.34 3kqx h SER 554 Ca 0.43 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 3kqx h SER 554 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.82 3kqx h SER 554 CO 1.56 0.38 -0.20 0.28 -0.87 0.00 0.00 176.83 177.98 3kqx h SER 555 N 0.00 0.25 -0.03 4.97 0.02 -1.93 0.76 113.55 117.59 3kqx h SER 555 Ca -0.00 -0.07 -0.18 0.00 -0.84 0.00 0.00 61.79 60.70 3kqx h SER 555 Cb 1.00 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 63.49 3kqx h SER 555 CO 0.05 0.47 -0.70 0.40 -1.14 0.00 0.00 176.83 175.92 3kqx h ILE 556 N 0.24 1.37 -0.43 3.27 2.04 -1.73 -2.83 117.51 119.44 3kqx h ILE 556 Ca 0.04 -2.07 -0.04 0.00 1.00 0.00 0.00 64.86 63.80 3kqx h ILE 556 Cb 0.50 2.44 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 3kqx h ILE 556 CO 0.03 0.62 0.11 0.58 0.00 0.00 0.00 178.15 179.49 3kqx h VAL 557 N 0.09 1.23 -0.89 1.67 2.07 -0.98 -1.22 116.25 118.21 3kqx h VAL 557 Ca -0.08 -0.78 0.06 0.00 0.82 0.00 0.00 66.70 66.72 3kqx h VAL 557 Cb 1.38 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 3kqx h VAL 557 CO 0.14 0.28 0.56 0.00 0.02 0.00 0.00 177.57 178.56 3kqx h ALA 558 N 0.97 1.22 -0.59 1.67 0.00 -0.92 -0.96 119.26 120.65 3kqx h ALA 558 Ca 0.14 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3kqx h ALA 558 Cb 0.30 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kqx h ALA 558 CO -0.00 0.31 0.12 0.77 0.00 0.00 0.00 179.25 180.45 3kqx h SER 559 N 1.01 0.88 -0.36 0.00 0.02 -1.15 -0.70 113.55 113.25 3kqx h SER 559 Ca 0.39 -0.18 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3kqx h SER 559 Cb 0.17 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3kqx h SER 559 CO -0.17 0.87 0.04 -0.07 -1.14 0.00 0.00 176.83 176.36 3kqx h LEU 560 N 0.89 0.67 0.05 5.07 3.38 -0.59 -0.44 115.31 124.34 3kqx h LEU 560 Ca 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kqx h LEU 560 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3kqx h LEU 560 CO 0.00 0.71 -0.02 0.15 0.09 0.00 0.00 178.44 179.37 3kqx h PHE 561 N 0.68 -0.06 -0.67 1.13 3.04 -0.75 -3.05 116.94 117.25 3kqx h PHE 561 Ca 0.14 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.14 3kqx h PHE 561 Cb 0.36 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.85 3kqx h PHE 561 CO 0.02 0.20 0.44 -0.07 -2.02 0.00 0.00 178.31 176.88 3kqx h LEU 562 N -0.33 0.66 -1.79 0.59 3.38 -0.91 -2.37 115.31 114.54 3kqx h LEU 562 Ca -0.01 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3kqx h LEU 562 Cb 0.29 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3kqx h LEU 562 CO 0.01 0.44 -0.15 0.50 0.09 0.00 0.00 178.44 179.34 3kqx h LYS 563 N 0.76 0.00 0.00 1.13 3.64 -0.97 -0.10 116.57 121.03 3kqx h LYS 563 Ca 0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3kqx h LYS 563 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3kqx h LYS 563 CO -0.08 0.15 0.00 0.39 -2.27 0.00 0.00 179.45 177.64 3kqx n GLU 564 N -4.08 0.00 -0.24 1.90 -0.58 -0.89 -2.20 120.64 114.55 3kqx n GLU 564 Ca -0.02 0.39 0.06 0.00 -0.42 0.00 0.00 57.16 57.17 3kqx n GLU 564 Cb 0.23 -1.50 0.17 0.00 -0.57 0.00 0.00 31.44 29.77 3kqx n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kqx n PHE 565 N -1.49 0.56 -3.99 -0.32 3.01 -0.05 -4.83 117.46 110.35 3kqx n PHE 565 Ca 0.01 -0.62 -0.30 0.00 1.01 0.00 0.00 57.45 57.55 3kqx n PHE 565 Cb 0.07 -0.12 -0.16 0.00 -0.01 0.00 0.00 39.48 39.26 3kqx n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqx s VAL 566 N -1.57 1.58 -0.12 -4.37 1.01 -0.94 -3.89 120.40 112.10 3kqx s VAL 566 Ca 0.27 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 3kqx s VAL 566 Cb 0.18 -1.63 -0.26 0.00 0.00 0.00 0.00 36.38 34.67 3kqx s VAL 566 CO 0.12 0.22 0.55 1.56 0.00 0.00 0.00 175.10 177.56 3kqx h GLN 567 N 8.00 0.17 -0.16 2.72 7.50 -1.88 -3.44 115.11 128.02 3kqx h GLN 567 Ca -0.29 -0.29 -0.20 0.00 0.50 0.00 0.00 58.65 58.38 3kqx h GLN 567 Cb 1.11 0.11 -0.24 0.00 0.05 0.00 0.00 27.48 28.50 3kqx h GLN 567 CO 0.48 1.14 -0.58 -1.71 -1.50 0.00 0.00 178.83 176.65 3kqx n ASN 568 N -4.13 -0.35 -4.12 1.46 2.85 -1.26 -5.11 115.26 104.61 3kqx n ASN 568 Ca -0.23 -2.14 -0.20 0.00 -0.11 0.00 0.00 54.58 51.89 3kqx n ASN 568 Cb 0.79 0.26 -0.14 0.00 1.24 0.00 0.00 39.78 41.93 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3kqx s THR 569 N -1.31 1.06 0.08 -0.44 2.01 -1.26 -5.10 115.64 110.67 3kqx s THR 569 Ca 0.16 -0.81 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 3kqx s THR 569 Cb 0.40 -0.93 -0.09 0.00 0.01 0.00 0.00 72.50 71.89 3kqx s THR 569 CO -0.10 0.11 1.73 0.00 -0.69 0.00 0.00 174.62 175.68 3kqx s ALA 570 N -0.63 3.70 -0.00 7.40 0.00 -1.25 -4.92 121.76 126.05 3kqx s ALA 570 Ca 0.03 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.28 3kqx s ALA 570 Cb -0.07 -3.73 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 3kqx s ALA 570 CO 0.01 -1.20 -0.06 -0.46 0.00 0.00 0.00 175.76 174.05 3kqx s TRP 571 N 2.91 0.49 0.05 0.00 -0.00 -1.26 -1.17 118.94 119.96 3kqx s TRP 571 Ca 0.77 -0.10 -0.00 0.00 -0.00 0.00 0.00 56.10 56.77 3kqx s TRP 571 Cb -0.42 -0.32 -0.03 0.00 -0.00 0.00 0.00 33.47 32.70 3kqx s TRP 571 CO 0.34 -0.01 -0.04 0.00 -0.00 0.00 0.00 176.95 177.24 3kqx s ALA 572 N -0.16 0.48 -0.06 5.86 0.00 -0.51 -1.10 121.76 126.27 3kqx s ALA 572 Ca 0.02 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3kqx s ALA 572 Cb -0.02 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.32 3kqx s ALA 572 CO -0.00 -0.26 -0.01 -1.58 0.00 0.00 0.00 175.76 173.91 3kqx s HIS 573 N -2.99 0.66 -0.31 0.00 2.46 0.60 -0.72 115.29 114.98 3kqx s HIS 573 Ca 0.00 -0.17 -0.06 0.00 0.47 0.00 0.00 55.06 55.31 3kqx s HIS 573 Cb 0.01 -0.74 0.03 0.00 -0.13 0.00 0.00 32.58 31.76 3kqx s HIS 573 CO -0.06 -0.28 0.07 0.42 -2.47 0.00 0.00 174.74 172.43 3kqx s ILE 574 N 1.62 3.69 -0.44 0.89 1.01 0.97 -0.85 121.20 128.09 3kqx s ILE 574 Ca -0.00 -1.02 -0.23 0.00 0.00 0.00 0.00 60.65 59.40 3kqx s ILE 574 Cb -0.13 -3.02 0.02 0.00 0.01 0.00 0.00 42.46 39.34 3kqx s ILE 574 CO -0.04 -0.07 0.77 -0.62 0.00 0.00 0.00 174.94 174.98 3kqx s ASP 575 N 1.41 6.41 -0.18 3.58 -1.08 0.05 -1.89 116.67 124.98 3kqx s ASP 575 Ca -0.01 -0.10 0.16 0.00 -0.52 0.00 0.00 52.55 52.08 3kqx s ASP 575 Cb -0.19 -2.38 0.61 0.00 -1.46 0.00 0.00 42.92 39.51 3kqx s ASP 575 CO 0.02 -0.88 1.52 2.30 0.52 0.00 0.00 175.17 178.64 3kqx n ILE 576 N 6.07 2.30 -0.03 4.11 -5.35 0.90 -2.96 119.36 124.39 3kqx n ILE 576 Ca 0.02 -1.63 0.11 0.00 -0.27 0.00 0.00 62.75 60.97 3kqx n ILE 576 Cb 0.48 -0.18 0.51 0.00 -1.74 0.00 0.00 39.64 38.72 3kqx n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqx h ALA 577 N 2.61 2.00 0.00 -1.28 0.00 -1.83 -1.66 119.26 119.10 3kqx h ALA 577 Ca 0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.63 3kqx h ALA 577 Cb 1.55 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.21 3kqx h ALA 577 CO 0.28 -0.10 -1.53 0.78 0.00 0.00 0.00 179.25 178.68 3kqx h GLY 578 N 0.37 0.00 0.43 0.00 0.00 -1.83 -3.39 103.07 98.65 3kqx h GLY 578 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3kqx h GLY 578 CO -0.06 0.00 -1.10 3.33 0.00 0.00 0.00 176.54 178.72 3kqx n VAL 579 N -3.09 0.11 -0.12 4.60 0.24 -0.93 -4.28 118.33 114.85 3kqx n VAL 579 Ca -0.13 -0.21 -0.12 0.00 -2.04 0.00 0.00 64.34 61.85 3kqx n VAL 579 Cb 1.01 0.35 -0.02 0.00 -1.47 0.00 0.00 33.84 33.71 3kqx n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqx h SER 580 N 0.00 0.80 -3.25 -1.34 0.87 -1.51 -3.42 113.55 105.69 3kqx h SER 580 Ca 0.00 -0.41 -0.59 0.00 -1.23 0.00 0.00 61.79 59.56 3kqx h SER 580 Cb 0.70 -0.22 -0.10 0.00 -0.44 0.00 0.00 62.40 62.34 3kqx h SER 580 CO 0.00 1.03 -0.34 0.86 -0.53 0.00 0.00 176.83 177.85 3kqx s TRP 581 N -4.62 3.47 -0.86 2.24 -0.11 -1.26 -1.10 118.94 116.70 3kqx s TRP 581 Ca -0.12 0.59 -0.22 0.00 1.22 0.00 0.00 56.10 57.57 3kqx s TRP 581 Cb 0.10 -2.31 0.08 0.00 -1.50 0.00 0.00 33.47 29.83 3kqx s TRP 581 CO 0.83 0.28 1.20 1.21 -4.62 0.00 0.00 176.95 175.84 3kqx s ASN 582 N 0.34 6.41 0.35 5.86 3.84 0.70 -4.89 114.94 127.55 3kqx s ASN 582 Ca 0.16 -1.39 0.03 0.00 0.21 0.00 0.00 52.86 51.87 3kqx s ASN 582 Cb -0.13 -2.47 0.65 0.00 -0.55 0.00 0.00 41.25 38.75 3kqx s ASN 582 CO 0.04 -1.39 1.98 -0.26 -2.79 0.00 0.00 177.10 174.68 3kqx h PHE 583 N 9.45 0.83 0.01 0.43 -1.00 -1.96 0.23 116.94 124.92 3kqx h PHE 583 Ca -0.00 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 3kqx h PHE 583 Cb 1.04 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.32 3kqx h PHE 583 CO 1.14 0.48 -0.00 0.87 -1.61 0.00 0.00 178.31 179.19 3kqx h LYS 584 N 0.85 -0.01 -0.01 1.51 6.56 -1.95 -3.21 116.57 120.32 3kqx h LYS 584 Ca 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.88 3kqx h LYS 584 Cb 0.07 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.73 3kqx h LYS 584 CO -0.08 0.24 -0.19 0.00 -2.06 0.00 0.00 179.45 177.36 3kqx n ALA 585 N -2.23 2.92 -3.41 3.86 0.00 -1.19 -4.98 120.51 115.49 3kqx n ALA 585 Ca -0.08 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.85 3kqx n ALA 585 Cb 0.15 -1.24 0.08 0.00 0.00 0.00 0.00 19.45 18.44 3kqx n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqx n ARG 586 N -0.86 -6.71 -3.63 0.00 1.74 0.78 -5.00 116.66 102.99 3kqx n ARG 586 Ca 0.13 0.78 -0.09 0.00 -0.77 0.00 0.00 57.85 57.89 3kqx n ARG 586 Cb 0.31 -5.62 -0.02 0.00 -1.02 0.00 0.00 32.46 26.11 3kqx n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqx s LYS 587 N -5.70 1.49 0.66 5.56 -2.85 -1.10 -5.03 119.74 112.78 3kqx s LYS 587 Ca 0.25 -0.70 -0.15 0.00 -1.00 0.00 0.00 55.97 54.37 3kqx s LYS 587 Cb -0.11 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 3kqx s LYS 587 CO 0.67 -0.67 1.11 -2.14 0.10 0.00 0.00 175.35 174.43 3kqx s PRO 588 N -3.79 2.79 0.12 1.78 0.02 -1.26 -0.22 135.00 134.45 3kqx s PRO 588 Ca 0.06 1.39 0.23 0.00 0.02 0.00 0.00 61.00 62.70 3kqx s PRO 588 Cb -0.03 -1.95 0.15 0.00 0.02 0.00 0.00 34.50 32.69 3kqx s PRO 588 CO -0.03 -1.26 1.14 1.63 -0.33 0.00 0.00 177.00 178.15 3kqx n LYS 589 N -2.43 0.39 -2.70 5.54 5.02 -0.26 -4.69 118.16 119.02 3kqx n LYS 589 Ca 0.10 0.07 -0.21 0.00 -2.02 0.00 0.00 58.31 56.25 3kqx n LYS 589 Cb 0.52 -1.70 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 3kqx n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqx n GLY 590 N 1.30 -0.51 3.74 0.72 0.00 -1.26 -4.92 105.19 104.25 3kqx n GLY 590 Ca 0.02 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3kqx n GLY 590 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kqx n PHE 591 N -4.16 2.79 0.00 1.61 7.35 -1.26 -3.37 117.46 120.41 3kqx n PHE 591 Ca -0.17 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 3kqx n PHE 591 Cb 0.65 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.91 3kqx n PHE 591 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kqx n GLY 592 N 1.88 1.61 0.14 7.13 0.00 -1.26 -4.72 105.19 109.98 3kqx n GLY 592 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3kqx n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqx h VAL 593 N 0.00 0.96 -0.07 1.61 2.07 -1.76 0.82 116.25 119.88 3kqx h VAL 593 Ca 0.00 -0.10 -0.23 0.00 0.82 0.00 0.00 66.70 67.19 3kqx h VAL 593 Cb 0.00 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3kqx h VAL 593 CO 0.00 0.05 -0.89 0.03 0.02 0.00 0.00 177.57 176.79 3kqx h ARG 594 N 0.29 0.67 0.03 1.57 3.08 -1.91 -0.33 114.38 117.78 3kqx h ARG 594 Ca 0.13 -0.62 0.03 0.00 0.07 0.00 0.00 59.98 59.59 3kqx h ARG 594 Cb 0.06 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 3kqx h ARG 594 CO -0.11 1.23 -0.24 1.25 -1.07 0.00 0.00 179.97 181.03 3kqx h LEU 595 N 0.42 -0.70 -0.64 3.04 5.85 -1.80 -0.52 115.31 120.97 3kqx h LEU 595 Ca -0.08 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3kqx h LEU 595 Cb 1.52 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 3kqx h LEU 595 CO 0.17 -0.31 0.20 -0.07 -0.34 0.00 0.00 178.44 178.08 3kqx h LEU 596 N -0.39 0.93 -0.15 2.25 3.38 -0.81 -1.49 115.31 119.03 3kqx h LEU 596 Ca 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3kqx h LEU 596 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3kqx h LEU 596 CO -0.19 0.89 0.08 0.74 0.09 0.00 0.00 178.44 180.04 3kqx h THR 597 N 0.92 1.12 -0.78 0.22 2.02 -0.86 -1.17 112.91 114.38 3kqx h THR 597 Ca 0.20 -0.34 0.11 0.00 0.77 0.00 0.00 66.41 67.15 3kqx h THR 597 Cb 0.30 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 67.69 3kqx h THR 597 CO -0.01 0.11 0.41 -0.33 0.37 0.00 0.00 175.52 176.07 3kqx h GLU 598 N 0.13 0.64 -0.42 6.66 4.39 -1.04 0.13 114.58 125.07 3kqx h GLU 598 Ca 0.05 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.75 3kqx h GLU 598 Cb 0.11 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 3kqx h GLU 598 CO -0.01 0.42 0.19 0.35 -1.16 0.00 0.00 179.01 178.80 3kqx h PHE 599 N 0.66 0.34 -0.24 4.33 3.57 -1.04 0.35 116.94 124.91 3kqx h PHE 599 Ca 0.39 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.89 3kqx h PHE 599 Cb 0.45 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 3kqx h PHE 599 CO -0.09 0.17 0.06 0.28 -2.23 0.00 0.00 178.31 176.49 3kqx h VAL 600 N 0.38 1.21 -0.22 1.41 2.07 -0.55 -2.64 116.25 117.92 3kqx h VAL 600 Ca 0.18 -0.69 -0.17 0.00 0.82 0.00 0.00 66.70 66.84 3kqx h VAL 600 Cb 0.12 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3kqx h VAL 600 CO -0.15 0.22 -0.55 -0.07 0.02 0.00 0.00 177.57 177.04 3kqx h LEU 601 N 0.21 0.75 -0.27 2.57 4.07 -0.59 -3.06 115.31 118.99 3kqx h LEU 601 Ca 0.08 -0.40 0.05 0.00 0.08 0.00 0.00 57.88 57.68 3kqx h LEU 601 Cb 0.28 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.76 3kqx h LEU 601 CO 0.00 1.15 -0.02 0.78 -1.08 0.00 0.00 178.44 179.27 3kqx h ASN 602 N 0.52 -0.15 0.00 -0.43 2.35 -0.33 -3.51 115.58 114.02 3kqx h ASN 602 Ca 0.01 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3kqx h ASN 602 Cb 1.12 0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.62 3kqx h ASN 602 CO 0.11 -0.04 0.00 0.47 -1.65 0.00 0.00 177.43 176.32