#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 4.43 -0.17 1.43 0.41 -1.26 -4.91 118.70 118.64 3kqx s GLU 87 Ca 0.00 1.79 -0.23 0.00 -0.41 0.00 0.00 54.97 56.11 3kqx s GLU 87 Cb 0.00 -3.33 -0.02 0.00 -1.78 0.00 0.00 34.13 28.99 3kqx s GLU 87 CO 0.00 -0.25 0.74 0.08 -0.49 0.00 0.00 175.26 175.34 3kqx s VAL 88 N 0.97 4.95 0.48 2.63 1.01 -1.26 -5.03 120.40 124.14 3kqx s VAL 88 Ca 0.58 1.44 -0.22 0.00 0.00 0.00 0.00 61.98 63.78 3kqx s VAL 88 Cb -0.30 -4.05 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 3kqx s VAL 88 CO 0.30 0.08 1.15 -2.16 0.00 0.00 0.00 175.10 174.47 3kqx s PRO 89 N 1.91 3.68 0.06 2.72 0.04 -1.26 -4.95 135.00 137.20 3kqx s PRO 89 Ca 0.34 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.18 3kqx s PRO 89 Cb -0.16 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.04 3kqx s PRO 89 CO 0.12 -0.60 -0.21 -0.65 0.04 0.00 0.00 177.00 175.70 3kqx s GLN 90 N -2.84 1.34 -0.10 4.56 -0.21 -1.26 -5.03 119.66 116.11 3kqx s GLN 90 Ca 0.66 -1.02 -0.24 0.00 0.02 0.00 0.00 55.36 54.78 3kqx s GLN 90 Cb -0.27 -1.51 -0.28 0.00 1.00 0.00 0.00 33.01 31.95 3kqx s GLN 90 CO 0.32 0.38 0.76 0.28 -2.12 0.00 0.00 175.29 174.91 3kqx h VAL 91 N 4.26 1.52 -2.87 1.09 2.07 -1.96 -3.48 116.25 116.88 3kqx h VAL 91 Ca -0.44 -2.43 -0.45 0.00 0.82 0.00 0.00 66.70 64.20 3kqx h VAL 91 Cb 1.16 3.15 -0.14 0.00 -1.52 0.00 0.00 31.29 33.95 3kqx h VAL 91 CO 0.42 0.65 -0.69 0.68 0.02 0.00 0.00 177.57 178.65 3kqx s VAL 92 N -2.35 1.54 -0.64 2.57 -7.23 -1.26 -5.04 120.40 107.99 3kqx s VAL 92 Ca -0.17 -2.13 0.20 0.00 -1.81 0.00 0.00 61.98 58.07 3kqx s VAL 92 Cb 0.00 -2.28 0.20 0.00 0.56 0.00 0.00 36.38 34.86 3kqx s VAL 92 CO 0.76 -0.41 1.61 -1.54 -0.31 0.00 0.00 175.10 175.21 3kqx n SER 93 N -0.48 0.44 0.01 4.85 3.41 -1.26 -1.59 113.62 119.00 3kqx n SER 93 Ca -0.06 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.29 3kqx n SER 93 Cb 0.62 -0.71 0.49 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.99 0.21 -4.72 1.04 4.77 -1.26 -4.88 117.00 110.17 3kqx n LEU 94 Ca 0.02 0.36 -0.42 0.00 -0.03 0.00 0.00 56.01 55.94 3kqx n LEU 94 Cb 0.20 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 3kqx n LEU 94 CO 0.17 0.02 1.17 -1.81 -1.33 0.00 0.00 177.39 175.61 3kqx s ASP 95 N -3.14 6.66 0.51 -1.43 1.01 -0.62 -4.95 116.67 114.70 3kqx s ASP 95 Ca 0.13 2.53 -0.23 0.00 0.71 0.00 0.00 52.55 55.69 3kqx s ASP 95 Cb 0.18 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.46 3kqx s ASP 95 CO 0.59 -0.77 1.35 -2.84 0.21 0.00 0.00 175.17 173.71 3kqx s PRO 96 N 1.06 3.37 0.00 8.23 0.02 -1.26 -4.95 135.00 141.46 3kqx s PRO 96 Ca 0.68 2.21 0.09 0.00 0.02 0.00 0.00 61.00 64.00 3kqx s PRO 96 Cb -0.42 -2.38 0.15 0.00 0.02 0.00 0.00 34.50 31.87 3kqx s PRO 96 CO 0.31 -1.00 0.98 0.25 -0.33 0.00 0.00 177.00 177.22 3kqx n THR 97 N -0.73 0.47 -3.88 0.99 -2.24 -1.26 -4.86 114.28 102.77 3kqx n THR 97 Ca 0.09 -0.73 -0.09 0.00 -2.27 0.00 0.00 64.05 61.04 3kqx n THR 97 Cb 0.45 0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.87 -0.02 -0.19 3.42 1.04 -1.26 -4.69 113.70 111.14 3kqx s SER 98 Ca 0.14 -0.73 -0.20 0.00 0.48 0.00 0.00 55.95 55.64 3kqx s SER 98 Cb 0.09 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 3kqx s SER 98 CO 0.12 -0.89 0.57 -0.63 0.98 0.00 0.00 173.24 173.38 3kqx s ILE 99 N -3.92 5.07 0.27 -1.02 1.01 -1.25 -4.87 121.20 116.49 3kqx s ILE 99 Ca 0.13 1.07 -0.29 0.00 0.00 0.00 0.00 60.65 61.56 3kqx s ILE 99 Cb 0.03 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.51 3kqx s ILE 99 CO -0.03 0.16 1.18 -2.16 0.00 0.00 0.00 174.94 174.09 3kqx s PRO 100 N 1.65 4.53 -0.04 2.79 0.04 -1.26 -5.03 135.00 137.68 3kqx s PRO 100 Ca 0.27 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.27 3kqx s PRO 100 Cb -0.16 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.22 3kqx s PRO 100 CO 0.10 0.03 -0.12 0.42 0.04 0.00 0.00 177.00 177.47 3kqx s ILE 101 N -0.87 1.05 -0.24 0.56 -1.09 -1.26 -4.97 121.20 114.38 3kqx s ILE 101 Ca 0.48 -0.49 -0.09 0.00 -2.23 0.00 0.00 60.65 58.31 3kqx s ILE 101 Cb -0.34 -0.93 -0.04 0.00 -1.58 0.00 0.00 42.46 39.56 3kqx s ILE 101 CO 0.43 0.32 0.13 -1.61 -1.23 0.00 0.00 174.94 172.98 3kqx s GLU 102 N 0.24 3.93 -0.24 2.79 2.02 -1.26 -4.97 118.70 121.22 3kqx s GLU 102 Ca -0.06 -0.34 -0.16 0.00 0.02 0.00 0.00 54.97 54.43 3kqx s GLU 102 Cb -0.11 -3.45 -0.12 0.00 0.10 0.00 0.00 34.13 30.55 3kqx s GLU 102 CO 0.02 -0.00 -0.24 0.66 0.02 0.00 0.00 175.26 175.72 3kqx n TYR 103 N 4.44 0.25 -2.89 1.61 4.02 -1.26 -4.83 117.16 118.50 3kqx n TYR 103 Ca -0.15 0.11 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 3kqx n TYR 103 Cb 0.52 -0.92 -0.04 0.00 -0.02 0.00 0.00 39.34 38.88 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 -7.00 6.66 0.32 7.72 0.02 -1.26 -5.03 114.94 116.37 3kqx s ASN 104 Ca -0.34 0.58 0.10 0.00 -1.02 0.00 0.00 52.86 52.19 3kqx s ASN 104 Cb 0.11 -2.43 -0.06 0.00 0.02 0.00 0.00 41.25 38.89 3kqx s ASN 104 CO 0.48 -0.73 -0.10 0.42 0.02 0.00 0.00 177.10 177.20 3kqx s THR 105 N 3.18 2.42 0.58 1.60 -4.23 -1.26 -5.03 115.64 112.89 3kqx s THR 105 Ca 0.34 -2.20 0.27 0.00 -1.18 0.00 0.00 61.69 58.92 3kqx s THR 105 Cb -0.13 -2.60 0.35 0.00 1.34 0.00 0.00 72.50 71.46 3kqx s THR 105 CO 0.15 -0.26 2.17 -0.65 -0.54 0.00 0.00 174.62 175.50 3kqx h PRO 106 N 2.04 0.00 -0.68 3.99 0.11 -2.01 -0.67 132.00 134.79 3kqx h PRO 106 Ca -0.42 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 3kqx h PRO 106 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 3kqx h PRO 106 CO 0.67 0.00 0.26 0.82 -0.21 0.00 0.00 178.00 179.54 3kqx h ILE 107 N 0.00 1.24 0.00 4.15 1.08 -1.95 -2.13 117.51 119.90 3kqx h ILE 107 Ca 0.04 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3kqx h ILE 107 Cb 0.23 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 3kqx h ILE 107 CO -0.00 0.30 0.00 0.45 -0.69 0.00 0.00 178.15 178.21 3kqx h HIS 108 N 0.98 0.00 -0.00 1.37 3.86 -1.52 -2.06 115.15 117.78 3kqx h HIS 108 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3kqx h HIS 108 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3kqx h HIS 108 CO 0.02 0.00 -0.42 -0.25 0.86 0.00 0.00 177.93 178.14 3kqx n ASP 109 N -2.82 0.65 -4.67 2.45 8.00 -0.80 -4.90 116.55 114.45 3kqx n ASP 109 Ca -0.02 -0.43 -0.43 0.00 0.71 0.00 0.00 54.79 54.62 3kqx n ASP 109 Cb 0.07 0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.85 4.41 -0.15 0.53 1.01 -0.78 -4.86 121.20 118.51 3kqx s ILE 110 Ca 0.15 1.71 -0.23 0.00 0.00 0.00 0.00 60.65 62.28 3kqx s ILE 110 Cb 0.18 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.53 3kqx s ILE 110 CO 0.64 -0.07 0.71 -0.75 0.00 0.00 0.00 174.94 175.47 3kqx s LYS 111 N 2.74 4.30 -0.22 2.79 2.36 -0.53 -4.91 119.74 126.27 3kqx s LYS 111 Ca 0.53 0.80 -0.06 0.00 -2.55 0.00 0.00 55.97 54.69 3kqx s LYS 111 Cb -0.21 -3.54 -0.03 0.00 -1.05 0.00 0.00 37.83 33.00 3kqx s LYS 111 CO 0.17 -0.18 0.03 0.08 1.55 0.00 0.00 175.35 177.00 3kqx s VAL 112 N 1.66 4.08 -0.03 4.02 1.01 -1.26 -0.47 120.40 129.41 3kqx s VAL 112 Ca 0.34 -0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.12 3kqx s VAL 112 Cb -0.16 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3kqx s VAL 112 CO 0.13 0.40 -0.22 -1.10 0.00 0.00 0.00 175.10 174.30 3kqx s GLN 113 N 1.23 2.00 -0.13 2.72 -1.52 -0.35 -4.99 119.66 118.62 3kqx s GLN 113 Ca 0.04 -0.80 -0.00 0.00 -1.95 0.00 0.00 55.36 52.64 3kqx s GLN 113 Cb -0.15 -1.84 -0.01 0.00 -0.22 0.00 0.00 33.01 30.79 3kqx s GLN 113 CO 0.02 0.43 -0.13 0.08 -0.25 0.00 0.00 175.29 175.43 3kqx s VAL 114 N -0.36 3.03 0.11 1.09 1.01 -1.26 -0.73 120.40 123.29 3kqx s VAL 114 Ca 0.04 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.44 3kqx s VAL 114 Cb -0.10 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3kqx s VAL 114 CO 0.01 0.52 -0.21 -0.31 0.00 0.00 0.00 175.10 175.11 3kqx s TYR 115 N 0.38 1.82 0.26 5.22 1.51 0.11 -4.94 117.35 121.71 3kqx s TYR 115 Ca -0.11 -0.42 -0.29 0.00 -1.01 0.00 0.00 57.07 55.24 3kqx s TYR 115 Cb -0.16 -0.99 -0.09 0.00 -0.11 0.00 0.00 41.96 40.61 3kqx s TYR 115 CO 0.05 0.22 1.00 0.34 -1.11 0.00 0.00 175.55 176.06 3kqx s ASP 116 N -1.97 7.47 0.40 2.29 -1.08 -1.26 -1.49 116.67 121.02 3kqx s ASP 116 Ca 0.07 2.07 0.09 0.00 -0.52 0.00 0.00 52.55 54.26 3kqx s ASP 116 Cb -0.10 -2.61 0.82 0.00 -1.46 0.00 0.00 42.92 39.57 3kqx s ASP 116 CO 0.04 0.02 1.97 0.40 0.52 0.00 0.00 175.17 178.12 3kqx h ILE 117 N 3.09 1.14 -3.78 4.11 2.04 -1.81 -3.43 117.51 118.87 3kqx h ILE 117 Ca -0.46 -0.56 -0.53 0.00 1.00 0.00 0.00 64.86 64.31 3kqx h ILE 117 Cb 1.20 0.97 0.09 0.00 -0.74 0.00 0.00 36.82 38.34 3kqx h ILE 117 CO 0.67 0.19 0.76 -0.54 0.00 0.00 0.00 178.15 179.23 3kqx s LYS 118 N -4.99 4.19 0.00 2.37 1.02 -1.26 -1.21 119.74 119.85 3kqx s LYS 118 Ca -0.06 2.46 0.00 0.00 0.02 0.00 0.00 55.97 58.38 3kqx s LYS 118 Cb 0.16 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.45 3kqx s LYS 118 CO 0.73 -0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.12 3kqx n GLY 119 N 0.97 1.85 0.00 -3.33 0.00 -1.26 -4.98 105.19 98.44 3kqx n GLY 119 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.00 0.57 3.75 -0.02 0.00 -0.35 -4.97 105.19 102.17 3kqx n GLY 120 Ca 0.00 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 0.20 7.13 -0.33 0.00 0.01 -1.26 -0.41 114.94 120.29 3kqx s ASN 122 Ca 0.18 1.34 0.01 0.00 -0.71 0.00 0.00 52.86 53.68 3kqx s ASN 122 Cb -0.13 -2.39 0.10 0.00 0.41 0.00 0.00 41.25 39.23 3kqx s ASN 122 CO 0.05 0.24 0.08 -0.69 -1.51 0.00 0.00 177.10 175.28 3kqx s VAL 123 N -1.03 1.45 -0.02 1.60 1.01 -1.26 -4.96 120.40 117.19 3kqx s VAL 123 Ca 0.31 -1.81 0.01 0.00 0.00 0.00 0.00 61.98 60.49 3kqx s VAL 123 Cb -0.20 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3kqx s VAL 123 CO 0.21 -0.65 -0.00 -0.62 0.00 0.00 0.00 175.10 174.03 3kqx n GLU 124 N 4.58 2.73 -3.93 2.72 -0.58 -1.26 -4.90 120.64 119.99 3kqx n GLU 124 Ca 0.01 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 3kqx n GLU 124 Cb 0.42 -1.04 -0.04 0.00 -0.57 0.00 0.00 31.44 30.21 3kqx n GLU 124 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3kqx s GLU 125 N -2.04 1.61 5.03 3.49 1.03 -1.26 -4.88 118.70 121.68 3kqx s GLU 125 Ca -0.01 -1.13 0.00 0.00 0.03 0.00 0.00 54.97 53.85 3kqx s GLU 125 Cb 0.01 0.52 0.00 0.00 -0.80 0.00 0.00 34.13 33.86 3kqx s GLU 125 CO 0.06 -0.69 0.00 0.41 -1.33 0.00 0.00 175.26 173.70 3kqx n GLY 126 N -0.40 1.95 3.36 -3.83 0.00 -1.26 -4.70 105.19 100.31 3kqx n GLY 126 Ca -0.03 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 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 2.59 -0.24 0.99 2.96 -0.37 -0.47 118.68 124.15 3kqx s LEU 127 Ca 0.00 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3kqx s LEU 127 Cb 0.00 -1.56 0.04 0.00 0.50 0.00 0.00 46.19 45.18 3kqx s LEU 127 CO 0.00 0.21 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.22 3kqx s THR 128 N 0.10 2.28 -0.15 3.68 2.01 0.38 -0.55 115.64 123.39 3kqx s THR 128 Ca -0.07 -1.34 -0.03 0.00 0.31 0.00 0.00 61.69 60.56 3kqx s THR 128 Cb -0.15 -2.21 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 3kqx s THR 128 CO 0.05 0.16 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.45 3kqx s ILE 129 N 1.19 3.64 -0.18 1.82 -1.09 0.29 -1.49 121.20 125.38 3kqx s ILE 129 Ca -0.04 -0.45 -0.13 0.00 -2.23 0.00 0.00 60.65 57.81 3kqx s ILE 129 Cb -0.18 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 3kqx s ILE 129 CO -0.07 0.50 0.27 -0.36 -1.23 0.00 0.00 174.94 174.04 3kqx s PHE 130 N 0.44 3.43 -0.40 3.97 0.40 -0.60 -0.22 117.98 125.00 3kqx s PHE 130 Ca -0.05 0.53 -0.21 0.00 -0.60 0.00 0.00 56.93 56.60 3kqx s PHE 130 Cb -0.15 -2.33 0.01 0.00 0.51 0.00 0.00 43.02 41.07 3kqx s PHE 130 CO 0.03 0.21 0.64 -0.51 0.70 0.00 0.00 175.22 176.30 3kqx s LEU 131 N 0.58 4.38 -0.02 -0.37 1.43 -0.15 -1.37 118.68 123.16 3kqx s LEU 131 Ca 0.15 -0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3kqx s LEU 131 Cb -0.13 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.34 3kqx s LEU 131 CO 0.03 -0.70 -0.05 -0.69 0.23 0.00 0.00 176.35 175.17 3kqx s VAL 132 N 2.79 0.44 0.46 -1.59 1.01 -1.13 -1.79 120.40 120.60 3kqx s VAL 132 Ca 0.24 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.07 3kqx s VAL 132 Cb -0.14 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.80 3kqx s VAL 132 CO 0.17 0.15 0.04 0.54 0.00 0.00 0.00 175.10 176.00 3kqx s ASN 133 N 0.24 3.64 -0.36 3.32 2.20 -1.26 0.24 114.94 122.96 3kqx s ASN 133 Ca -0.03 -1.60 0.01 0.00 -0.94 0.00 0.00 52.86 50.30 3kqx s ASN 133 Cb -0.07 0.35 0.15 0.00 -2.00 0.00 0.00 41.25 39.68 3kqx s ASN 133 CO -0.00 -0.80 0.28 0.21 -2.94 0.00 0.00 177.10 173.85 3kqx s ASN 134 N -3.76 2.21 0.00 3.54 3.04 -0.20 -4.81 114.94 114.97 3kqx s ASN 134 Ca 0.16 -1.97 -0.02 0.00 0.04 0.00 0.00 52.86 51.07 3kqx s ASN 134 Cb 0.03 -0.01 -0.08 0.00 -1.54 0.00 0.00 41.25 39.66 3kqx s ASN 134 CO 0.09 -0.28 2.03 -2.65 -3.04 0.00 0.00 177.10 173.24 3kqx n PRO 135 N 4.08 1.05 0.00 0.43 -0.02 -1.26 -4.31 135.00 134.97 3kqx n PRO 135 Ca 0.12 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3kqx n PRO 135 Cb 0.40 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 3kqx n PRO 135 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kqx n LYS 137 N 1.98 0.00 -1.68 -0.52 4.01 -1.26 -4.86 118.16 115.83 3kqx n LYS 137 Ca 0.12 0.00 -0.50 0.00 -0.51 0.00 0.00 58.31 57.42 3kqx n LYS 137 Cb 0.50 0.00 -0.05 0.00 -0.51 0.00 0.00 35.03 34.97 3kqx n LYS 137 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3kqx n GLU 138 N 0.00 1.87 -2.09 1.97 4.71 -1.26 0.44 120.64 126.28 3kqx n GLU 138 Ca 0.00 0.68 -0.17 0.00 -0.01 0.00 0.00 57.16 57.66 3kqx n GLU 138 Cb 0.00 -2.47 -0.03 0.00 -1.01 0.00 0.00 31.44 27.93 3kqx n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kqx n ASN 139 N 5.70 -4.84 -4.54 1.62 3.02 -1.26 -4.98 115.26 109.97 3kqx n ASN 139 Ca 0.23 0.20 -0.29 0.00 -0.03 0.00 0.00 54.58 54.69 3kqx n ASN 139 Cb 0.25 -4.17 0.21 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.19 1.55 0.51 7.41 0.00 0.17 -4.60 107.32 110.18 3kqx s GLY 140 Ca 0.00 -0.39 -0.17 0.00 0.00 0.00 0.00 44.72 44.17 3kqx s GLY 140 CO 0.00 0.30 0.98 2.56 0.00 0.00 0.00 173.10 176.94 3kqx s PRO 141 N -4.87 3.96 0.03 2.90 0.04 -1.26 -1.27 135.00 134.52 3kqx s PRO 141 Ca 0.67 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 62.38 3kqx s PRO 141 Cb -0.20 -2.14 -0.06 0.00 0.04 0.00 0.00 34.50 32.15 3kqx s PRO 141 CO 0.59 -0.26 1.34 0.08 0.04 0.00 0.00 177.00 178.79 3kqx s VAL 142 N -2.58 3.75 -0.05 -0.36 1.01 -0.63 -4.71 120.40 116.83 3kqx s VAL 142 Ca 0.59 1.18 0.03 0.00 0.00 0.00 0.00 61.98 63.78 3kqx s VAL 142 Cb -0.10 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3kqx s VAL 142 CO 0.30 0.03 -0.13 -0.54 0.00 0.00 0.00 175.10 174.76 3kqx s LYS 143 N 1.91 1.63 -0.25 2.72 3.01 -1.26 -3.63 119.74 123.88 3kqx s LYS 143 Ca 0.62 -0.46 -0.09 0.00 -1.01 0.00 0.00 55.97 55.03 3kqx s LYS 143 Cb -0.31 -1.38 -0.04 0.00 -1.01 0.00 0.00 37.83 35.08 3kqx s LYS 143 CO 0.27 0.11 0.12 0.42 0.51 0.00 0.00 175.35 176.77 3kqx s ILE 144 N 0.40 4.78 -0.07 2.17 -1.09 -1.26 -4.93 121.20 121.20 3kqx s ILE 144 Ca -0.10 -0.01 0.14 0.00 -2.23 0.00 0.00 60.65 58.44 3kqx s ILE 144 Cb -0.13 -3.24 -0.23 0.00 -1.58 0.00 0.00 42.46 37.28 3kqx s ILE 144 CO 0.03 0.32 0.60 -1.20 -1.23 0.00 0.00 174.94 173.47 3kqx n SER 145 N 4.75 0.77 -4.76 3.58 7.64 -1.26 -4.94 113.62 119.40 3kqx n SER 145 Ca -0.15 0.36 -0.41 0.00 1.01 0.00 0.00 58.87 59.68 3kqx n SER 145 Cb 0.52 0.09 -0.01 0.00 -1.01 0.00 0.00 64.21 63.79 3kqx n SER 145 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kqx s SER 146 N -5.99 6.33 0.27 6.43 0.01 -1.26 -4.99 113.70 114.51 3kqx s SER 146 Ca -0.05 3.00 -0.30 0.00 1.31 0.00 0.00 55.95 59.91 3kqx s SER 146 Cb 0.08 -2.64 -0.11 0.00 0.21 0.00 0.00 66.02 63.56 3kqx s SER 146 CO 0.83 -0.93 1.52 -0.75 0.41 0.00 0.00 173.24 174.31 3kqx s LYS 147 N -0.84 4.19 -0.12 12.44 2.47 -1.26 -4.96 119.74 131.67 3kqx s LYS 147 Ca 0.62 2.44 0.02 0.00 -1.56 0.00 0.00 55.97 57.49 3kqx s LYS 147 Cb -0.48 -3.07 -0.01 0.00 -1.46 0.00 0.00 37.83 32.82 3kqx s LYS 147 CO 0.52 -0.53 -0.18 0.08 0.16 0.00 0.00 175.35 175.39 3kqx s VAL 148 N 0.01 2.54 -0.27 4.02 1.01 -1.26 -1.17 120.40 125.28 3kqx s VAL 148 Ca 0.61 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 3kqx s VAL 148 Cb -0.45 -2.03 0.02 0.00 0.00 0.00 0.00 36.38 33.93 3kqx s VAL 148 CO 0.45 0.54 2.68 0.59 0.00 0.00 0.00 175.10 179.36 3kqx n ASN 149 N 3.62 6.08 -3.65 3.32 3.02 0.46 -4.69 115.26 123.41 3kqx n ASN 149 Ca -0.19 -2.92 -0.11 0.00 -0.03 0.00 0.00 54.58 51.33 3kqx n ASN 149 Cb 0.53 -1.22 -0.11 0.00 -0.61 0.00 0.00 39.78 38.37 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 0.85 0.06 0.21 6.41 2.15 -1.26 -4.83 116.67 120.25 3kqx s ASP 150 Ca 0.47 0.77 -0.10 0.00 0.43 0.00 0.00 52.55 54.12 3kqx s ASP 150 Cb 0.29 1.04 0.16 0.00 -0.30 0.00 0.00 42.92 44.11 3kqx s ASP 150 CO -0.09 -0.24 1.89 0.11 -0.17 0.00 0.00 175.17 176.67 3kqx h LYS 151 N 8.23 1.02 0.52 4.34 1.57 -1.99 -0.91 116.57 129.34 3kqx h LYS 151 Ca -0.15 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 3kqx h LYS 151 Cb 1.11 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.20 3kqx h LYS 151 CO 0.13 0.67 -0.25 1.96 -0.57 0.00 0.00 179.45 181.39 3kqx h GLN 152 N 1.05 -0.67 -0.43 3.15 1.08 -1.90 -2.53 115.11 114.85 3kqx h GLN 152 Ca 0.28 0.05 -0.02 0.00 -1.45 0.00 0.00 58.65 57.51 3kqx h GLN 152 Cb -0.12 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3kqx h GLN 152 CO -0.06 -0.40 0.20 0.28 -0.95 0.00 0.00 178.83 177.89 3kqx h VAL 153 N -0.81 1.16 -0.70 -0.54 2.07 -1.84 -2.27 116.25 113.32 3kqx h VAL 153 Ca -0.07 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3kqx h VAL 153 Cb 0.58 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 3kqx h VAL 153 CO 0.12 0.18 0.44 0.28 0.02 0.00 0.00 177.57 178.61 3kqx h SER 154 N 0.61 0.81 0.08 0.57 0.02 -1.03 -1.04 113.55 113.56 3kqx h SER 154 Ca 0.15 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3kqx h SER 154 Cb 0.09 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.42 3kqx h SER 154 CO -0.02 0.61 -0.04 -0.08 -1.14 0.00 0.00 176.83 176.16 3kqx h GLU 155 N 0.95 -0.10 -0.66 3.45 4.57 -0.97 -2.13 114.58 119.69 3kqx h GLU 155 Ca 0.25 0.01 0.07 0.00 -1.18 0.00 0.00 59.36 58.51 3kqx h GLU 155 Cb -0.08 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 3kqx h GLU 155 CO -0.05 0.13 0.43 0.35 -1.18 0.00 0.00 179.01 178.70 3kqx h PHE 156 N -0.33 0.64 -0.12 0.92 3.57 -1.18 -2.74 116.94 117.70 3kqx h PHE 156 Ca -0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kqx h PHE 156 Cb 0.28 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3kqx h PHE 156 CO -0.00 0.33 0.00 1.28 -2.23 0.00 0.00 178.31 177.69 3kqx n LEU 157 N -4.48 1.63 -4.60 0.59 4.77 -0.42 -4.57 117.00 109.91 3kqx n LEU 157 Ca 0.10 -0.64 -0.40 0.00 -0.03 0.00 0.00 56.01 55.03 3kqx n LEU 157 Cb 0.26 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3kqx n LEU 157 CO 0.34 0.32 0.55 0.29 -1.33 0.00 0.00 177.39 177.56 3kqx n LYS 158 N 0.29 1.21 -0.20 3.23 4.76 -0.84 -4.55 118.16 122.06 3kqx n LYS 158 Ca 0.17 0.44 0.16 0.00 -2.87 0.00 0.00 58.31 56.21 3kqx n LYS 158 Cb 0.34 -2.06 0.49 0.00 -1.84 0.00 0.00 35.03 31.96 3kqx n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 3kqx h ASP 159 N 1.23 0.42 0.33 4.39 3.32 -1.91 -0.91 116.42 123.29 3kqx h ASP 159 Ca -0.46 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 3kqx h ASP 159 Cb 1.35 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 3kqx h ASP 159 CO 0.55 0.20 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.90 3kqx h GLU 160 N 0.44 0.00 0.02 3.56 3.07 -1.94 -1.85 114.58 117.87 3kqx h GLU 160 Ca 0.41 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.89 3kqx h GLU 160 Cb 0.94 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.78 3kqx h GLU 160 CO -0.15 0.04 -2.34 -1.71 -1.40 0.00 0.00 179.01 173.46 3kqx n ASN 161 N -3.36 1.35 0.21 1.42 2.85 -0.42 -4.43 115.26 112.88 3kqx n ASN 161 Ca -0.02 -0.02 0.11 0.00 -0.11 0.00 0.00 54.58 54.54 3kqx n ASN 161 Cb 0.18 -0.03 0.16 0.00 1.24 0.00 0.00 39.78 41.32 3kqx n ASN 161 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3kqx h MET 162 N 0.01 0.00 -0.72 1.20 2.86 -1.28 -2.97 114.93 114.04 3kqx h MET 162 Ca -0.53 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.25 3kqx h MET 162 Cb 2.03 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.64 3kqx h MET 162 CO -0.02 0.06 0.48 0.93 1.06 0.00 0.00 176.91 179.43 3kqx h GLU 163 N 0.00 0.35 -0.43 1.72 3.07 -1.40 -0.19 114.58 117.70 3kqx h GLU 163 Ca -0.00 -0.02 0.13 0.00 -0.50 0.00 0.00 59.36 58.96 3kqx h GLU 163 Cb 1.04 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.85 3kqx h GLU 163 CO 0.01 0.23 0.55 0.87 -1.40 0.00 0.00 179.01 179.27 3kqx h LYS 164 N 0.36 0.00 -6.35 2.33 1.57 -1.79 -3.44 116.57 109.26 3kqx h LYS 164 Ca 0.35 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.53 3kqx h LYS 164 Cb 0.85 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.04 3kqx h LYS 164 CO -0.10 0.00 -0.68 -0.06 -0.57 0.00 0.00 179.45 178.04 3kqx s PHE 165 N -4.50 2.76 0.22 -1.35 0.40 -0.08 -5.06 117.98 110.37 3kqx s PHE 165 Ca -0.04 -0.17 0.11 0.00 -0.60 0.00 0.00 56.93 56.23 3kqx s PHE 165 Cb 0.14 -1.33 -0.05 0.00 0.51 0.00 0.00 43.02 42.30 3kqx s PHE 165 CO 0.49 0.53 -0.20 0.54 0.70 0.00 0.00 175.22 177.27 3kqx s ASN 166 N -3.00 3.28 0.00 1.36 4.22 -1.26 -1.60 114.94 117.94 3kqx s ASN 166 Ca 0.27 -0.95 0.07 0.00 -2.14 0.00 0.00 52.86 50.11 3kqx s ASN 166 Cb -0.09 -0.24 0.21 0.00 1.28 0.00 0.00 41.25 42.41 3kqx s ASN 166 CO 0.18 0.03 1.17 1.33 -2.04 0.00 0.00 177.10 177.77 3kqx n VAL 167 N -0.16 0.29 -1.68 3.54 0.24 -0.40 -4.73 118.33 115.43 3kqx n VAL 167 Ca -0.09 -0.29 -0.53 0.00 -2.04 0.00 0.00 64.34 61.39 3kqx n VAL 167 Cb 0.58 0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 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 0.14 1.58 -1.34 7.34 4.81 -1.26 0.37 118.16 129.81 3kqx n LYS 168 Ca 0.08 0.58 -0.52 0.00 -0.87 0.00 0.00 58.31 57.57 3kqx n LYS 168 Cb 0.19 -2.32 -0.08 0.00 0.02 0.00 0.00 35.03 32.84 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 5.34 0.92 0.00 3.14 -0.00 -1.26 -0.25 117.00 124.89 3kqx n LEU 169 Ca 0.24 0.90 0.00 0.00 -0.00 0.00 0.00 56.01 57.15 3kqx n LEU 169 Cb 0.21 -0.68 0.00 0.00 -0.00 0.00 0.00 43.42 42.94 3kqx n LEU 169 CO 0.75 -0.65 0.00 0.61 -0.00 0.00 0.00 177.39 178.10 3kqx n GLY 170 N 3.24 2.21 3.76 -3.96 0.00 -0.51 -4.97 105.19 104.96 3kqx n GLY 170 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 3kqx n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s THR 171 N -2.62 2.63 0.05 2.61 2.01 0.66 -4.72 115.64 116.25 3kqx s THR 171 Ca 0.00 0.49 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 3kqx s THR 171 Cb 0.00 -3.26 0.02 0.00 0.01 0.00 0.00 72.50 69.28 3kqx s THR 171 CO 0.00 0.01 0.34 -0.94 -0.69 0.00 0.00 174.62 173.34 3kqx s SER 172 N -1.09 -0.17 0.03 3.53 1.04 -1.26 -0.08 113.70 115.70 3kqx s SER 172 Ca 0.65 -0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.90 3kqx s SER 172 Cb -0.35 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 3kqx s SER 172 CO 0.42 -0.64 0.05 -0.54 0.98 0.00 0.00 173.24 173.51 3kqx s LYS 173 N -2.61 0.49 -0.05 4.02 -0.14 -1.18 -5.02 119.74 115.24 3kqx s LYS 173 Ca -0.04 -0.71 -0.19 0.00 -1.36 0.00 0.00 55.97 53.66 3kqx s LYS 173 Cb -0.01 0.19 0.04 0.00 -1.68 0.00 0.00 37.83 36.37 3kqx s LYS 173 CO -0.04 -0.11 0.43 -3.38 -0.76 0.00 0.00 175.35 171.50 3kqx s HIS 174 N -2.23 -0.36 -0.01 3.18 -3.43 -1.26 -1.67 115.29 109.51 3kqx s HIS 174 Ca -0.08 0.66 0.03 0.00 -0.80 0.00 0.00 55.06 54.87 3kqx s HIS 174 Cb -0.04 0.19 -0.01 0.00 -1.43 0.00 0.00 32.58 31.30 3kqx s HIS 174 CO -0.03 -0.42 -0.10 -0.06 -2.00 0.00 0.00 174.74 172.13 3kqx s PHE 175 N -1.00 0.89 0.27 0.38 0.40 -0.33 -4.95 117.98 113.64 3kqx s PHE 175 Ca -0.10 -0.18 -0.17 0.00 -0.60 0.00 0.00 56.93 55.88 3kqx s PHE 175 Cb -0.04 -0.59 -0.09 0.00 0.51 0.00 0.00 43.02 42.82 3kqx s PHE 175 CO 0.05 -0.03 0.73 0.71 0.70 0.00 0.00 175.22 177.37 3kqx s TYR 176 N -0.13 3.50 0.13 0.36 1.51 -1.26 -0.83 117.35 120.63 3kqx s TYR 176 Ca 0.02 1.29 -0.25 0.00 -1.01 0.00 0.00 57.07 57.12 3kqx s TYR 176 Cb -0.05 -2.57 0.07 0.00 -0.11 0.00 0.00 41.96 39.30 3kqx s TYR 176 CO -0.00 0.21 0.84 0.00 -1.11 0.00 0.00 175.55 175.48 3kqx s MET 177 N -2.51 1.22 -0.06 -0.62 0.23 -0.16 -4.97 119.30 112.42 3kqx s MET 177 Ca 0.49 -0.59 -0.24 0.00 -1.03 0.00 0.00 55.69 54.32 3kqx s MET 177 Cb -0.13 0.47 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 3kqx s MET 177 CO 0.19 -0.55 0.73 -0.06 -2.03 0.00 0.00 175.02 173.30 3kqx s PHE 178 N -3.43 3.58 0.00 3.16 0.08 -1.26 -0.12 117.98 119.98 3kqx s PHE 178 Ca 0.08 1.29 0.00 0.00 0.12 0.00 0.00 56.93 58.42 3kqx s PHE 178 Cb -0.02 -2.84 0.00 0.00 -0.57 0.00 0.00 43.02 39.59 3kqx s PHE 178 CO -0.02 0.07 0.00 0.27 -0.10 0.00 0.00 175.22 175.43 3kqx n ASN 179 N 3.84 0.00 0.28 1.36 6.94 -0.52 -4.73 115.26 122.44 3kqx n ASN 179 Ca -0.00 -0.83 0.14 0.00 -0.02 0.00 0.00 54.58 53.87 3kqx n ASN 179 Cb 0.51 0.00 0.87 0.00 -2.36 0.00 0.00 39.78 38.80 3kqx n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kqx h ASP 180 N 0.00 0.00 -0.15 0.53 3.45 -1.90 -1.81 116.42 116.54 3kqx h ASP 180 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3kqx h ASP 180 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3kqx h ASP 180 CO 0.00 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 178.26 3kqx n ASN 181 N -3.96 1.37 -2.74 6.45 3.02 -1.26 -4.89 115.26 113.24 3kqx n ASN 181 Ca -0.03 -1.68 -0.20 0.00 -0.03 0.00 0.00 54.58 52.64 3kqx n ASN 181 Cb 0.10 -0.09 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 3kqx n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kqx n LYS 182 N 0.13 -3.07 -3.76 3.52 4.76 -0.68 -4.99 118.16 114.07 3kqx n LYS 182 Ca 0.15 0.81 -0.37 0.00 -2.87 0.00 0.00 58.31 56.03 3kqx n LYS 182 Cb 0.28 -5.53 -0.06 0.00 -1.84 0.00 0.00 35.03 27.87 3kqx n LYS 182 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3kqx s ASN 183 N -2.35 6.49 -0.10 4.39 2.47 -1.26 -4.85 114.94 119.75 3kqx s ASN 183 Ca 0.15 0.59 -0.30 0.00 0.42 0.00 0.00 52.86 53.73 3kqx s ASN 183 Cb -0.07 -2.12 -0.03 0.00 -1.45 0.00 0.00 41.25 37.58 3kqx s ASN 183 CO 0.19 0.37 1.28 -0.55 -3.72 0.00 0.00 177.10 174.66 3kqx s SER 184 N -0.93 6.96 0.12 -4.21 0.15 -1.26 -1.43 113.70 113.09 3kqx s SER 184 Ca 0.17 1.82 0.05 0.00 0.70 0.00 0.00 55.95 58.70 3kqx s SER 184 Cb -0.13 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 3kqx s SER 184 CO 0.06 -0.70 -0.13 0.68 1.20 0.00 0.00 173.24 174.35 3kqx s VAL 185 N 2.91 1.26 -0.11 4.45 -7.23 0.83 -4.54 120.40 117.96 3kqx s VAL 185 Ca 0.57 -1.74 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 3kqx s VAL 185 Cb -0.25 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.13 3kqx s VAL 185 CO 0.20 -0.47 -0.04 0.00 -0.31 0.00 0.00 175.10 174.48 3kqx s ALA 186 N -2.30 3.08 0.02 1.32 0.00 0.38 -0.99 121.76 123.27 3kqx s ALA 186 Ca 0.09 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.25 3kqx s ALA 186 Cb -0.04 -1.44 -0.02 0.00 0.00 0.00 0.00 23.12 21.63 3kqx s ALA 186 CO 0.02 0.43 -0.11 0.08 0.00 0.00 0.00 175.76 176.18 3kqx s VAL 187 N -0.34 0.86 0.00 0.00 1.01 -0.01 -0.47 120.40 121.44 3kqx s VAL 187 Ca 0.06 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3kqx s VAL 187 Cb -0.12 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3kqx s VAL 187 CO 0.02 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.76 3kqx n GLY 188 N 2.23 1.26 3.37 4.51 0.00 -0.56 -1.19 105.19 114.81 3kqx n GLY 188 Ca -0.17 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 3kqx n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqx s TYR 189 N -1.95 -0.37 -0.13 1.61 1.13 -0.67 -1.56 117.35 115.41 3kqx s TYR 189 Ca 0.00 0.43 0.02 0.00 -1.41 0.00 0.00 57.07 56.12 3kqx s TYR 189 Cb 0.00 0.29 0.01 0.00 -1.10 0.00 0.00 41.96 41.16 3kqx s TYR 189 CO 0.00 -0.59 -0.20 0.08 -2.51 0.00 0.00 175.55 172.32 3kqx s VAL 190 N -2.24 1.90 0.17 -3.49 1.01 -0.47 -3.10 120.40 114.18 3kqx s VAL 190 Ca -0.07 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3kqx s VAL 190 Cb -0.01 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.60 3kqx s VAL 190 CO -0.00 0.52 1.25 -0.83 0.00 0.00 0.00 175.10 176.04 3kqx s GLY 191 N 0.84 2.51 -0.05 4.51 0.00 0.89 -2.82 107.32 113.20 3kqx s GLY 191 Ca -0.08 1.01 0.12 0.00 0.00 0.00 0.00 44.72 45.77 3kqx s GLY 191 CO -0.01 1.99 1.28 0.00 0.00 0.00 0.00 173.10 176.36 3kqx n GLY 193 N 0.18 -0.67 0.00 0.00 0.00 0.16 -4.52 105.19 100.33 3kqx n GLY 193 Ca 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.89 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 0.64 0.88 -4.66 1.61 3.41 -1.26 -1.03 113.62 113.21 3kqx n SER 194 Ca 0.00 -1.32 -0.35 0.00 -0.26 0.00 0.00 58.87 56.94 3kqx n SER 194 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -0.32 4.76 0.17 -3.33 1.01 -1.26 -4.19 120.40 117.24 3kqx s VAL 195 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 3kqx s VAL 195 Cb 0.00 -3.12 -0.08 0.00 0.00 0.00 0.00 36.38 33.17 3kqx s VAL 195 CO 0.00 0.49 1.45 0.00 0.00 0.00 0.00 175.10 177.05 3kqx h ALA 196 N 6.38 0.61 -2.68 5.51 0.00 -1.94 -3.40 119.26 123.74 3kqx h ALA 196 Ca -0.40 -0.55 -0.71 0.00 0.00 0.00 0.00 54.91 53.25 3kqx h ALA 196 Cb 1.18 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.67 3kqx h ALA 196 CO 0.68 0.71 -0.48 0.16 0.00 0.00 0.00 179.25 180.32 3kqx s ASP 197 N -6.96 5.89 0.26 0.00 -4.77 -1.26 -4.57 116.67 105.26 3kqx s ASP 197 Ca -0.07 -0.98 -0.30 0.00 -3.30 0.00 0.00 52.55 47.90 3kqx s ASP 197 Cb 0.11 -2.08 -0.09 0.00 -1.09 0.00 0.00 42.92 39.77 3kqx s ASP 197 CO 0.85 -0.42 1.06 -0.76 0.70 0.00 0.00 175.17 176.60 3kqx s LEU 198 N 1.60 4.56 0.81 2.11 1.43 -1.26 -5.06 118.68 122.88 3kqx s LEU 198 Ca 0.03 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.19 3kqx s LEU 198 Cb -0.19 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.49 3kqx s LEU 198 CO 0.08 -0.09 1.15 -0.94 0.23 0.00 0.00 176.35 176.78 3kqx s SER 199 N -0.82 4.45 0.35 2.29 1.04 -1.26 -4.89 113.70 114.85 3kqx s SER 199 Ca 0.44 0.95 0.08 0.00 0.48 0.00 0.00 55.95 57.90 3kqx s SER 199 Cb -0.30 -1.54 0.78 0.00 0.10 0.00 0.00 66.02 65.05 3kqx s SER 199 CO 0.38 -1.96 1.87 1.05 0.98 0.00 0.00 173.24 175.57 3kqx h GLU 200 N -1.09 0.72 -0.18 4.02 -0.00 -1.97 -1.91 114.58 114.17 3kqx h GLU 200 Ca -0.47 -0.04 -0.18 0.00 -0.00 0.00 0.00 59.36 58.67 3kqx h GLU 200 Cb 1.31 -0.16 -0.00 0.00 -0.00 0.00 0.00 28.75 29.89 3kqx h GLU 200 CO 0.64 0.47 -0.61 0.00 -0.00 0.00 0.00 179.01 179.51 3kqx h ALA 201 N 1.59 0.59 -0.45 1.06 0.00 -1.93 -1.84 119.26 118.28 3kqx h ALA 201 Ca 0.44 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kqx h ALA 201 Cb 0.64 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3kqx h ALA 201 CO -0.20 0.70 0.15 -0.44 0.00 0.00 0.00 179.25 179.46 3kqx h ASP 202 N 0.45 0.65 0.01 0.00 3.32 -1.86 -2.13 116.42 116.87 3kqx h ASP 202 Ca -0.01 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.76 3kqx h ASP 202 Cb 1.18 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 3kqx h ASP 202 CO 0.12 0.68 -0.22 -0.03 -1.72 0.00 0.00 179.24 178.06 3kqx h MET 203 N 0.59 0.37 -0.51 3.56 4.05 -1.30 -1.52 114.93 120.17 3kqx h MET 203 Ca 0.15 -0.12 -0.09 0.00 -0.28 0.00 0.00 59.70 59.35 3kqx h MET 203 Cb 0.25 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.01 3kqx h MET 203 CO -0.01 0.58 -0.04 0.87 0.23 0.00 0.00 176.91 178.54 3kqx h LYS 204 N 0.33 0.93 -0.73 0.39 1.57 -1.11 0.02 116.57 117.97 3kqx h LYS 204 Ca 0.05 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3kqx h LYS 204 Cb 0.58 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 3kqx h LYS 204 CO 0.04 0.97 0.47 0.00 -0.57 0.00 0.00 179.45 180.36 3kqx h ARG 205 N 0.80 0.90 -0.29 3.15 3.08 -0.94 0.16 114.38 121.23 3kqx h ARG 205 Ca 0.14 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 3kqx h ARG 205 Cb 0.57 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3kqx h ARG 205 CO 0.03 0.59 0.13 0.28 -1.07 0.00 0.00 179.97 179.94 3kqx h VAL 206 N 0.92 1.16 -0.56 2.04 2.07 -0.86 -2.20 116.25 118.82 3kqx h VAL 206 Ca 0.28 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3kqx h VAL 206 Cb -0.02 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 3kqx h VAL 206 CO -0.09 0.16 0.31 0.58 0.02 0.00 0.00 177.57 178.55 3kqx h VAL 207 N 0.33 1.19 -0.57 2.57 2.07 -0.80 -1.41 116.25 119.63 3kqx h VAL 207 Ca 0.10 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.23 3kqx h VAL 207 Cb 0.14 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 3kqx h VAL 207 CO -0.01 0.20 0.19 -0.07 0.02 0.00 0.00 177.57 177.90 3kqx h LEU 208 N 0.76 0.17 -0.72 2.57 4.07 -0.83 0.11 115.31 121.44 3kqx h LEU 208 Ca 0.20 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.19 3kqx h LEU 208 Cb 0.05 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 41.82 3kqx h LEU 208 CO -0.03 0.11 0.28 -1.28 -1.08 0.00 0.00 178.44 176.44 3kqx h SER 209 N 0.37 0.99 -0.76 -0.43 0.87 -0.97 -1.58 113.55 112.04 3kqx h SER 209 Ca 0.28 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 3kqx h SER 209 Cb 0.35 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3kqx h SER 209 CO -0.30 0.90 0.50 0.25 -0.53 0.00 0.00 176.83 177.65 3kqx h LEU 210 N 1.03 0.85 -1.05 2.23 5.85 -0.13 -2.85 115.31 121.24 3kqx h LEU 210 Ca 0.24 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 3kqx h LEU 210 Cb 0.22 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kqx h LEU 210 CO -0.02 0.61 -0.30 0.58 -0.34 0.00 0.00 178.44 178.97 3kqx h VAL 211 N 1.01 1.27 -0.48 1.05 2.07 -0.56 -1.18 116.25 119.41 3kqx h VAL 211 Ca 0.29 -1.28 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 3kqx h VAL 211 Cb -0.08 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3kqx h VAL 211 CO -0.08 0.39 0.25 0.74 0.02 0.00 0.00 177.57 178.90 3kqx h THR 212 N 0.26 1.18 -0.70 2.57 2.02 -1.13 0.21 112.91 117.33 3kqx h THR 212 Ca 0.04 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 3kqx h THR 212 Cb 0.67 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3kqx h THR 212 CO 0.05 0.19 0.21 0.24 0.37 0.00 0.00 175.52 176.58 3kqx h MET 213 N 0.64 1.07 -0.71 6.66 2.07 -1.22 -2.70 114.93 120.75 3kqx h MET 213 Ca 0.17 -0.22 -0.05 0.00 -2.07 0.00 0.00 59.70 57.52 3kqx h MET 213 Cb 0.08 -0.16 -0.03 0.00 -1.87 0.00 0.00 31.60 29.62 3kqx h MET 213 CO -0.03 0.92 0.23 -0.07 1.07 0.00 0.00 176.91 179.04 3kqx h LEU 214 N 1.03 1.00 -0.87 1.22 3.38 -0.41 -2.42 115.31 118.24 3kqx h LEU 214 Ca 0.23 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kqx h LEU 214 Cb 0.30 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kqx h LEU 214 CO -0.01 0.93 0.00 0.45 0.09 0.00 0.00 178.44 179.90 3kqx h HIS 215 N 1.04 0.00 -0.02 1.13 3.86 -0.47 -3.14 115.15 117.56 3kqx h HIS 215 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 3kqx h HIS 215 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3kqx h HIS 215 CO 0.02 0.00 -0.31 -0.25 0.86 0.00 0.00 177.93 178.25 3kqx n ASP 216 N -2.57 2.18 -3.93 2.45 8.00 -0.94 -4.96 116.55 116.78 3kqx n ASP 216 Ca 0.02 -1.59 -0.18 0.00 0.71 0.00 0.00 54.79 53.75 3kqx n ASP 216 Cb 0.29 0.34 -0.15 0.00 -0.02 0.00 0.00 41.12 41.57 3kqx n ASP 216 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3kqx s ASN 217 N -2.16 0.81 -0.33 -2.24 0.01 -1.07 -5.07 114.94 104.89 3kqx s ASN 217 Ca 0.19 -0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 51.94 3kqx s ASN 217 Cb 0.17 -0.26 0.02 0.00 0.41 0.00 0.00 41.25 41.59 3kqx s ASN 217 CO 0.45 0.01 1.11 -1.59 -1.51 0.00 0.00 177.10 175.57 3kqx s LYS 218 N 0.39 4.03 -0.03 -0.60 -2.85 -1.26 -4.88 119.74 114.54 3kqx s LYS 218 Ca -0.05 1.06 -0.04 0.00 -1.00 0.00 0.00 55.97 55.95 3kqx s LYS 218 Cb -0.09 -3.77 0.01 0.00 -2.06 0.00 0.00 37.83 31.92 3kqx s LYS 218 CO -0.00 -0.96 0.10 -0.51 0.10 0.00 0.00 175.35 174.08 3kqx s LEU 219 N 3.80 1.65 0.19 2.77 1.43 -1.26 -5.03 118.68 122.22 3kqx s LEU 219 Ca 0.47 0.08 0.20 0.00 -1.03 0.00 0.00 54.13 53.84 3kqx s LEU 219 Cb -0.12 0.39 -0.00 0.00 0.03 0.00 0.00 46.19 46.48 3kqx s LEU 219 CO 0.17 -0.12 1.08 0.77 0.23 0.00 0.00 176.35 178.49 3kqx h SER 220 N 5.57 0.00 -3.55 2.29 4.64 -1.95 -3.30 113.55 117.25 3kqx h SER 220 Ca -0.26 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.90 3kqx h SER 220 Cb 1.20 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 63.02 3kqx h SER 220 CO 0.43 0.26 -0.39 -0.75 -0.87 0.00 0.00 176.83 175.52 3kqx s LYS 221 N -3.14 0.31 -0.08 4.77 2.20 -1.26 -0.88 119.74 121.66 3kqx s LYS 221 Ca 0.00 0.53 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 3kqx s LYS 221 Cb 0.08 0.03 -0.02 0.00 -1.51 0.00 0.00 37.83 36.41 3kqx s LYS 221 CO 0.78 -0.11 -0.11 -1.17 -0.36 0.00 0.00 175.35 174.38 3kqx s LEU 222 N 0.78 2.88 -0.08 5.43 2.96 -0.95 -1.23 118.68 128.47 3kqx s LEU 222 Ca -0.05 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 53.73 3kqx s LEU 222 Cb -0.06 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.00 3kqx s LEU 222 CO -0.05 0.29 -0.24 -0.89 -1.32 0.00 0.00 176.35 174.14 3kqx s THR 223 N -0.41 2.02 -0.17 3.68 2.01 0.29 -0.38 115.64 122.68 3kqx s THR 223 Ca 0.05 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.04 3kqx s THR 223 Cb -0.12 -1.73 0.01 0.00 0.01 0.00 0.00 72.50 70.67 3kqx s THR 223 CO 0.02 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.63 3kqx s VAL 224 N 0.11 2.21 -0.29 3.82 1.01 -0.04 -0.55 120.40 126.67 3kqx s VAL 224 Ca -0.11 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 3kqx s VAL 224 Cb -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 3kqx s VAL 224 CO 0.06 0.53 0.16 -0.69 0.00 0.00 0.00 175.10 175.16 3kqx s VAL 225 N 1.15 4.83 -0.62 2.92 1.01 0.70 -1.00 120.40 129.39 3kqx s VAL 225 Ca 0.01 -0.17 -0.27 0.00 0.00 0.00 0.00 61.98 61.55 3kqx s VAL 225 Cb -0.14 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.90 3kqx s VAL 225 CO -0.08 0.17 1.17 -0.36 0.00 0.00 0.00 175.10 176.00 3kqx s PHE 226 N 1.67 2.56 -0.31 5.22 0.40 -0.48 -0.98 117.98 126.05 3kqx s PHE 226 Ca 0.06 0.21 0.09 0.00 -0.60 0.00 0.00 56.93 56.69 3kqx s PHE 226 Cb -0.16 -4.48 0.54 0.00 0.51 0.00 0.00 43.02 39.43 3kqx s PHE 226 CO 0.08 -1.68 1.55 0.39 0.70 0.00 0.00 175.22 176.26 3kqx n GLU 227 N 8.51 2.04 -4.45 0.44 1.02 -0.74 -4.67 120.64 122.79 3kqx n GLU 227 Ca 0.06 -3.13 -0.22 0.00 -0.02 0.00 0.00 57.16 53.85 3kqx n GLU 227 Cb 0.49 -1.89 -0.10 0.00 -0.02 0.00 0.00 31.44 29.91 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 -3.22 1.58 -0.09 -3.67 -4.36 -1.23 -4.49 121.20 105.71 3kqx s ILE 228 Ca 0.47 -2.09 -0.11 0.00 -0.26 0.00 0.00 60.65 58.66 3kqx s ILE 228 Cb 0.42 -2.56 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 3kqx s ILE 228 CO 0.03 -0.22 0.26 0.20 0.24 0.00 0.00 174.94 175.45 3kqx s ASN 229 N -3.47 6.53 -0.14 4.36 0.01 -1.26 -5.03 114.94 115.93 3kqx s ASN 229 Ca 0.31 0.63 -0.07 0.00 -0.71 0.00 0.00 52.86 53.02 3kqx s ASN 229 Cb 0.05 -2.15 0.06 0.00 0.41 0.00 0.00 41.25 39.61 3kqx s ASN 229 CO 0.13 0.31 0.33 0.54 -1.51 0.00 0.00 177.10 176.90 3kqx s VAL 230 N -0.68 -0.09 0.89 1.60 0.11 -1.26 -4.72 120.40 116.24 3kqx s VAL 230 Ca 0.18 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.22 3kqx s VAL 230 Cb -0.14 -0.51 0.14 0.00 -1.53 0.00 0.00 36.38 34.35 3kqx s VAL 230 CO 0.07 0.05 1.25 1.51 -3.33 0.00 0.00 175.10 174.66 3kqx s ASP 231 N 1.49 3.78 0.27 3.54 3.84 -1.26 -4.78 116.67 123.55 3kqx s ASP 231 Ca -0.08 0.52 -0.04 0.00 -0.00 0.00 0.00 52.55 52.95 3kqx s ASP 231 Cb -0.10 -0.78 0.34 0.00 -1.38 0.00 0.00 42.92 41.00 3kqx s ASP 231 CO -0.11 -2.34 1.91 0.11 -0.00 0.00 0.00 175.17 174.75 3kqx h LYS 232 N -1.36 1.16 -0.34 2.11 1.57 -1.99 0.41 116.57 118.13 3kqx h LYS 232 Ca -0.45 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.10 3kqx h LYS 232 Cb 1.28 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3kqx h LYS 232 CO 0.52 0.81 -0.29 -0.91 -0.57 0.00 0.00 179.45 179.00 3kqx h ASN 233 N 1.18 0.75 -0.27 0.86 2.35 -1.93 -1.27 115.58 117.24 3kqx h ASN 233 Ca 0.31 -0.29 -0.17 0.00 -0.55 0.00 0.00 56.30 55.59 3kqx h ASN 233 Cb -0.05 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.12 3kqx h ASN 233 CO -0.06 0.99 -0.50 0.25 -1.65 0.00 0.00 177.43 176.47 3kqx h LEU 234 N 0.62 0.90 -0.31 1.61 5.85 -1.81 -0.71 115.31 121.45 3kqx h LEU 234 Ca 0.07 -0.53 0.07 0.00 0.84 0.00 0.00 57.88 58.33 3kqx h LEU 234 Cb 0.81 -0.26 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 3kqx h LEU 234 CO 0.07 1.26 -0.27 0.15 -0.34 0.00 0.00 178.44 179.31 3kqx h PHE 235 N 0.56 -0.73 -0.98 1.25 3.57 -0.80 0.49 116.94 120.31 3kqx h PHE 235 Ca 0.01 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3kqx h PHE 235 Cb 1.10 0.37 -0.05 0.00 2.79 0.00 0.00 35.95 40.16 3kqx h PHE 235 CO 0.08 -0.34 0.64 -0.09 -2.23 0.00 0.00 178.31 176.37 3kqx h ARG 236 N -0.25 1.25 -0.46 1.11 2.43 -1.08 -1.52 114.38 115.86 3kqx h ARG 236 Ca 0.15 -0.08 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3kqx h ARG 236 Cb 0.49 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3kqx h ARG 236 CO -0.45 0.83 0.14 0.35 -1.51 0.00 0.00 179.97 179.33 3kqx h PHE 237 N 1.29 0.69 0.02 2.20 3.57 -0.39 -0.74 116.94 123.59 3kqx h PHE 237 Ca 0.37 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 3kqx h PHE 237 Cb -0.10 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.43 3kqx h PHE 237 CO -0.00 0.58 -0.01 0.35 -2.23 0.00 0.00 178.31 176.99 3kqx h PHE 238 N 0.67 -0.03 -0.10 0.41 3.57 0.99 -1.94 116.94 120.51 3kqx h PHE 238 Ca 0.16 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3kqx h PHE 238 Cb 0.22 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 3kqx h PHE 238 CO 0.01 0.02 0.06 -0.07 -2.23 0.00 0.00 178.31 176.10 3kqx h LEU 239 N -0.06 0.12 -0.60 0.59 4.07 -1.21 0.99 115.31 119.21 3kqx h LEU 239 Ca -0.00 -0.06 0.10 0.00 0.08 0.00 0.00 57.88 57.99 3kqx h LEU 239 Cb 0.05 -0.03 -0.08 0.00 1.08 0.00 0.00 40.66 41.69 3kqx h LEU 239 CO 0.00 0.15 0.19 -0.33 -1.08 0.00 0.00 178.44 177.38 3kqx h GLU 240 N 0.09 0.34 -0.13 1.13 5.08 -1.03 0.18 114.58 120.24 3kqx h GLU 240 Ca 0.04 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 3kqx h GLU 240 Cb 0.05 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kqx h GLU 240 CO -0.01 0.23 -0.24 1.15 -1.00 0.00 0.00 179.01 179.14 3kqx h THR 241 N 0.35 1.37 -0.12 1.13 2.02 -1.20 0.13 112.91 116.59 3kqx h THR 241 Ca 0.31 -1.51 0.04 0.00 0.77 0.00 0.00 66.41 66.03 3kqx h THR 241 Cb 0.42 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.81 3kqx h THR 241 CO -0.34 0.44 -0.20 0.25 0.37 0.00 0.00 175.52 176.04 3kqx h LEU 242 N -0.02 -0.62 -0.42 2.58 5.85 -0.39 0.15 115.31 122.43 3kqx h LEU 242 Ca 0.01 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.84 3kqx h LEU 242 Cb 0.83 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3kqx h LEU 242 CO 0.05 -0.25 0.27 -0.26 -0.34 0.00 0.00 178.44 177.91 3kqx h PHE 243 N -0.26 0.50 -0.12 1.25 0.04 -0.56 -1.17 116.94 116.62 3kqx h PHE 243 Ca 0.10 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 3kqx h PHE 243 Cb 0.40 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 3kqx h PHE 243 CO -0.31 0.30 0.00 -0.92 -0.60 0.00 0.00 178.31 176.79 3kqx h TYR 244 N 0.54 0.23 -0.07 -0.55 3.20 -0.40 -2.02 116.97 117.90 3kqx h TYR 244 Ca 0.16 -0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.85 3kqx h TYR 244 Cb -0.03 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 3kqx h TYR 244 CO -0.06 0.45 -0.59 0.93 -1.64 0.00 0.00 178.16 177.26 3kqx h GLU 245 N -0.05 0.24 -0.56 1.82 4.39 -0.70 -3.16 114.58 116.56 3kqx h GLU 245 Ca 0.03 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 3kqx h GLU 245 Cb 0.36 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.01 3kqx h GLU 245 CO 0.01 0.76 0.00 -0.92 -1.16 0.00 0.00 179.01 177.69 3kqx h TYR 246 N 0.18 1.07 -2.96 4.33 3.20 -1.17 -3.44 116.97 118.17 3kqx h TYR 246 Ca -0.00 -0.18 -0.52 0.00 3.14 0.00 0.00 58.73 61.16 3kqx h TYR 246 Cb 1.09 -0.28 0.05 0.00 1.54 0.00 0.00 36.73 39.13 3kqx h TYR 246 CO 0.02 0.96 0.89 1.41 -1.64 0.00 0.00 178.16 179.80 3kqx s MET 247 N -5.02 4.19 -0.12 1.82 1.75 -0.76 -5.01 119.30 116.15 3kqx s MET 247 Ca -0.12 2.43 0.02 0.00 -1.25 0.00 0.00 55.69 56.77 3kqx s MET 247 Cb 0.13 -3.11 -0.01 0.00 2.84 0.00 0.00 34.83 34.67 3kqx s MET 247 CO 0.84 -0.61 -0.17 0.99 -0.65 0.00 0.00 175.02 175.42 3kqx s THR 248 N 0.79 2.67 -0.50 10.11 2.01 -1.26 -4.97 115.64 124.48 3kqx s THR 248 Ca 0.68 -0.80 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 3kqx s THR 248 Cb -0.45 -2.09 0.05 0.00 0.01 0.00 0.00 72.50 70.02 3kqx s THR 248 CO 0.36 0.54 0.71 -0.62 -0.69 0.00 0.00 174.62 174.92 3kqx s ASP 249 N 0.31 6.28 -0.20 3.53 -1.08 -1.26 -4.88 116.67 119.36 3kqx s ASP 249 Ca -0.13 -0.63 0.15 0.00 -0.52 0.00 0.00 52.55 51.42 3kqx s ASP 249 Cb -0.16 -2.34 0.52 0.00 -1.46 0.00 0.00 42.92 39.48 3kqx s ASP 249 CO 0.07 -0.95 1.43 -0.62 0.52 0.00 0.00 175.17 175.61 3kqx n GLU 250 N 6.53 2.66 0.13 4.34 1.02 -1.26 -4.72 120.64 129.33 3kqx n GLU 250 Ca -0.03 -2.90 0.05 0.00 -0.02 0.00 0.00 57.16 54.26 3kqx n GLU 250 Cb 0.46 -1.83 0.51 0.00 -0.02 0.00 0.00 31.44 30.56 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 1.58 0.26 -0.61 3.49 3.08 -1.98 -2.39 114.38 117.81 3kqx h ARG 251 Ca 0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3kqx h ARG 251 Cb 1.49 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.49 3kqx h ARG 251 CO 0.26 0.21 0.00 1.19 -1.07 0.00 0.00 179.97 180.56 3kqx n PHE 252 N -4.47 0.80 -2.97 3.04 3.01 -1.26 -4.96 117.46 110.65 3kqx n PHE 252 Ca -0.00 -0.40 -0.31 0.00 1.01 0.00 0.00 57.45 57.75 3kqx n PHE 252 Cb 0.11 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.53 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 -1.19 3.84 -0.52 -1.08 -0.14 -0.90 -5.28 119.74 114.47 3kqx s LYS 253 Ca 0.45 0.51 0.03 0.00 -1.36 0.00 0.00 55.97 55.60 3kqx s LYS 253 Cb 0.25 -2.42 0.43 0.00 -1.68 0.00 0.00 37.83 34.41 3kqx s LYS 253 CO 0.33 0.04 1.56 -1.13 -0.76 0.00 0.00 175.35 175.39 3kqx n SER 254 N -0.97 6.11 -3.83 2.83 3.41 -1.26 -5.09 113.62 114.83 3kqx n SER 254 Ca 0.03 -3.77 -0.30 0.00 -0.26 0.00 0.00 58.87 54.56 3kqx n SER 254 Cb 0.54 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.67 3kqx n SER 254 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3kqx s GLU 262 N -3.73 1.02 0.46 4.33 8.01 -1.26 -5.21 118.70 122.32 3kqx s GLU 262 Ca 0.55 -1.42 -0.21 0.00 0.01 0.00 0.00 54.97 53.90 3kqx s GLU 262 Cb 0.44 -2.43 -0.09 0.00 -4.31 0.00 0.00 34.13 27.74 3kqx s GLU 262 CO -0.09 -0.98 1.03 0.71 0.01 0.00 0.00 175.26 175.94 3kqx s TYR 263 N 1.28 3.09 0.62 1.61 2.02 -1.26 -4.68 117.35 120.03 3kqx s TYR 263 Ca 0.11 1.60 -0.17 0.00 -0.37 0.00 0.00 57.07 58.23 3kqx s TYR 263 Cb -0.18 -3.06 -0.07 0.00 -0.40 0.00 0.00 41.96 38.24 3kqx s TYR 263 CO -0.18 -0.72 0.51 0.44 -1.57 0.00 0.00 175.55 174.04 3kqx n ILE 264 N -0.72 2.10 0.49 2.71 -5.35 -1.24 -4.92 119.36 112.44 3kqx n ILE 264 Ca 0.08 -0.47 0.05 0.00 -0.27 0.00 0.00 62.75 62.14 3kqx n ILE 264 Cb 0.52 -0.69 -0.05 0.00 -1.74 0.00 0.00 39.64 37.67 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 -0.23 3.46 -4.14 6.28 4.76 -0.05 -4.63 118.16 123.60 3kqx n LYS 265 Ca 0.11 -0.04 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 3kqx n LYS 265 Cb 0.48 -1.00 -0.15 0.00 -1.84 0.00 0.00 35.03 32.53 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 -1.94 0.47 -0.15 2.13 3.76 -0.89 -1.46 115.29 117.21 3kqx s HIS 266 Ca 0.04 -0.09 0.00 0.00 -0.15 0.00 0.00 55.06 54.87 3kqx s HIS 266 Cb 0.08 -0.33 0.02 0.00 1.11 0.00 0.00 32.58 33.47 3kqx s HIS 266 CO 0.42 -0.03 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.97 3kqx s LEU 267 N 0.00 1.70 -0.04 0.89 2.96 0.38 -2.23 118.68 122.33 3kqx s LEU 267 Ca 0.00 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.41 3kqx s LEU 267 Cb -0.03 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.43 3kqx s LEU 267 CO -0.00 -0.05 0.06 -0.83 -1.32 0.00 0.00 176.35 174.20 3kqx s GLY 268 N 1.48 1.98 -0.12 7.98 0.00 0.49 -1.21 107.32 117.92 3kqx s GLY 268 Ca 0.05 -0.83 0.01 0.00 0.00 0.00 0.00 44.72 43.95 3kqx s GLY 268 CO -0.11 -0.65 -0.13 0.14 0.00 0.00 0.00 173.10 172.36 3kqx s VAL 269 N -1.07 1.35 -0.20 1.40 1.01 0.09 -0.86 120.40 122.11 3kqx s VAL 269 Ca 0.19 -0.52 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 3kqx s VAL 269 Cb -0.12 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3kqx s VAL 269 CO 0.09 0.42 0.12 -0.31 0.00 0.00 0.00 175.10 175.42 3kqx s TYR 270 N 1.28 3.36 -0.08 5.22 1.51 -0.17 0.05 117.35 128.52 3kqx s TYR 270 Ca -0.01 0.26 -0.19 0.00 -1.01 0.00 0.00 57.07 56.11 3kqx s TYR 270 Cb -0.14 -2.16 0.04 0.00 -0.11 0.00 0.00 41.96 39.59 3kqx s TYR 270 CO -0.05 0.22 0.46 -1.50 -1.11 0.00 0.00 175.55 173.56 3kqx s ILE 271 N 0.49 0.02 0.32 2.71 2.07 -0.56 -1.38 121.20 124.88 3kqx s ILE 271 Ca 0.07 -0.20 -0.29 0.00 -1.41 0.00 0.00 60.65 58.82 3kqx s ILE 271 Cb -0.12 -0.72 -0.11 0.00 0.13 0.00 0.00 42.46 41.64 3kqx s ILE 271 CO -0.00 -0.11 1.53 0.21 -1.91 0.00 0.00 174.94 174.65 3kqx s ASN 272 N -0.75 6.41 -1.37 4.50 2.47 -1.26 -2.45 114.94 122.49 3kqx s ASN 272 Ca -0.08 2.95 -0.08 0.00 0.42 0.00 0.00 52.86 56.06 3kqx s ASN 272 Cb -0.03 -2.65 0.02 0.00 -1.45 0.00 0.00 41.25 37.14 3kqx s ASN 272 CO 0.04 -0.86 1.11 0.59 -3.72 0.00 0.00 177.10 174.26 3kqx n ASN 273 N 1.49 -5.32 -0.34 -4.21 3.02 -1.26 -4.91 115.26 103.72 3kqx n ASN 273 Ca 0.05 -0.61 0.19 0.00 -0.03 0.00 0.00 54.58 54.19 3kqx n ASN 273 Cb 0.39 -4.80 0.41 0.00 -0.61 0.00 0.00 39.78 35.17 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 0.99 1.85 -0.80 5.41 0.00 -1.80 -1.52 119.26 123.38 3kqx h ALA 274 Ca -0.58 0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.60 3kqx h ALA 274 Cb 1.37 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3kqx h ALA 274 CO 0.57 -0.36 0.53 -0.44 0.00 0.00 0.00 179.25 179.55 3kqx h ASP 275 N 0.51 0.58 0.58 0.00 3.32 -1.91 -0.80 116.42 118.71 3kqx h ASP 275 Ca 0.67 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.74 3kqx h ASP 275 Cb 1.35 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3kqx h ASP 275 CO -0.51 0.32 0.00 0.71 -1.72 0.00 0.00 179.24 178.05 3kqx h THR 276 N 0.63 0.00 0.00 0.35 1.35 -1.65 -3.23 112.91 110.36 3kqx h THR 276 Ca 0.39 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 3kqx h THR 276 Cb 0.62 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3kqx h THR 276 CO -0.15 0.00 -1.81 -1.22 -0.25 0.00 0.00 175.52 172.09 3kqx n TYR 277 N -2.33 0.00 -0.30 4.73 4.01 -0.32 -4.56 117.16 118.39 3kqx n TYR 277 Ca 0.01 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.77 3kqx n TYR 277 Cb 0.19 -0.41 0.15 0.00 -0.31 0.00 0.00 39.34 38.97 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 0.84 -0.67 -0.72 1.57 -1.55 -0.08 116.57 115.96 3kqx h LYS 278 Ca 0.00 -0.05 0.20 0.00 -1.87 0.00 0.00 60.65 58.92 3kqx h LYS 278 Cb 0.84 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3kqx h LYS 278 CO 0.00 0.56 0.58 0.93 -0.57 0.00 0.00 179.45 180.95 3kqx h GLU 279 N 0.87 0.00 0.00 3.15 5.08 -1.81 -2.46 114.58 119.41 3kqx h GLU 279 Ca 0.39 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 3kqx h GLU 279 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3kqx h GLU 279 CO -0.21 0.00 -0.03 0.93 -1.00 0.00 0.00 179.01 178.70 3kqx h GLU 280 N 0.00 0.00 0.24 2.33 4.39 -1.30 -3.36 114.58 116.88 3kqx h GLU 280 Ca 0.32 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 3kqx h GLU 280 Cb 1.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 3kqx h GLU 280 CO -0.00 0.03 -0.12 0.28 -1.16 0.00 0.00 179.01 178.04 3kqx h VAL 281 N 0.00 0.80 0.00 3.13 2.07 -1.56 0.34 116.25 121.03 3kqx h VAL 281 Ca -0.00 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3kqx h VAL 281 Cb 0.83 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3kqx h VAL 281 CO 0.00 0.04 -0.27 -0.33 0.02 0.00 0.00 177.57 177.04 3kqx h GLU 282 N -0.42 0.00 -0.29 1.57 4.39 -1.78 -1.37 114.58 116.68 3kqx h GLU 282 Ca -0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3kqx h GLU 282 Cb 0.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3kqx h GLU 282 CO 0.05 0.27 0.13 -0.22 -1.16 0.00 0.00 179.01 178.08 3kqx h LYS 283 N 0.00 0.42 -0.92 2.33 3.64 -1.66 -2.44 116.57 117.94 3kqx h LYS 283 Ca -0.00 -0.07 0.11 0.00 -1.27 0.00 0.00 60.65 59.42 3kqx h LYS 283 Cb 1.15 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 3kqx h LYS 283 CO 0.03 0.41 0.55 0.00 -2.27 0.00 0.00 179.45 178.18 3kqx h ALA 284 N 0.98 1.35 -0.34 5.00 0.00 -0.42 -0.60 119.26 125.22 3kqx h ALA 284 Ca 0.10 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 3kqx h ALA 284 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3kqx h ALA 284 CO -0.01 0.17 -0.32 -0.09 0.00 0.00 0.00 179.25 178.99 3kqx h ARG 285 N 0.90 0.75 -0.31 0.00 2.43 -1.08 0.29 114.38 117.36 3kqx h ARG 285 Ca 0.45 -0.35 -0.08 0.00 -0.81 0.00 0.00 59.98 59.19 3kqx h ARG 285 Cb 0.42 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3kqx h ARG 285 CO -0.26 0.97 -0.11 0.28 -1.51 0.00 0.00 179.97 179.35 3kqx h VAL 286 N 0.63 1.28 -0.77 0.20 2.07 -0.97 -2.33 116.25 116.37 3kqx h VAL 286 Ca 0.07 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3kqx h VAL 286 Cb 0.85 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3kqx h VAL 286 CO 0.07 0.38 0.27 1.88 0.02 0.00 0.00 177.57 180.20 3kqx h TYR 287 N 0.39 1.21 -0.09 1.57 -1.99 -0.87 -1.78 116.97 115.42 3kqx h TYR 287 Ca 0.08 -0.11 0.04 0.00 2.00 0.00 0.00 58.73 60.73 3kqx h TYR 287 Cb 0.61 -0.36 -0.04 0.00 2.00 0.00 0.00 36.73 38.94 3kqx h TYR 287 CO 0.05 0.94 -0.15 -0.92 -0.00 0.00 0.00 178.16 178.08 3kqx h TYR 288 N 1.14 -0.38 -0.28 4.88 3.20 -0.40 -2.33 116.97 122.79 3kqx h TYR 288 Ca 0.25 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.02 3kqx h TYR 288 Cb 0.27 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kqx h TYR 288 CO 0.02 -0.22 -0.33 0.35 -1.64 0.00 0.00 178.16 176.35 3kqx h PHE 289 N -0.20 0.71 -0.95 -3.82 3.57 -0.95 0.80 116.94 116.11 3kqx h PHE 289 Ca 0.08 -0.18 0.04 0.00 3.53 0.00 0.00 57.97 61.43 3kqx h PHE 289 Cb 0.32 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 3kqx h PHE 289 CO -0.25 0.86 0.62 0.78 -2.23 0.00 0.00 178.31 178.09 3kqx h GLY 290 N 1.02 1.38 0.85 2.40 0.00 -1.26 0.47 103.07 107.92 3kqx h GLY 290 Ca 0.06 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.78 3kqx h GLY 290 CO 0.07 0.40 -0.50 -0.84 0.00 0.00 0.00 176.54 175.67 3kqx h THR 291 N 1.20 1.38 -0.40 4.70 2.02 -1.11 -1.30 112.91 119.40 3kqx h THR 291 Ca 0.38 -1.85 -0.06 0.00 0.77 0.00 0.00 66.41 65.65 3kqx h THR 291 Cb 0.00 2.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 3kqx h THR 291 CO -0.12 0.55 0.00 0.22 0.37 0.00 0.00 175.52 176.54 3kqx h TYR 292 N 0.07 0.67 -0.38 3.16 3.20 -0.55 -1.08 116.97 122.05 3kqx h TYR 292 Ca -0.04 -0.08 -0.08 0.00 3.14 0.00 0.00 58.73 61.68 3kqx h TYR 292 Cb 1.15 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3kqx h TYR 292 CO 0.12 0.64 -0.07 -0.92 -1.64 0.00 0.00 178.16 176.29 3kqx h TYR 293 N 0.61 0.79 -0.55 -3.82 3.20 -0.01 -1.21 116.97 115.98 3kqx h TYR 293 Ca 0.13 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3kqx h TYR 293 Cb 0.38 -0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 3kqx h TYR 293 CO 0.02 0.84 0.30 0.00 -1.64 0.00 0.00 178.16 177.68 3kqx h ALA 294 N 0.84 0.70 -0.55 1.82 0.00 -0.87 -2.35 119.26 118.85 3kqx h ALA 294 Ca 0.10 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3kqx h ALA 294 Cb 0.57 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3kqx h ALA 294 CO 0.03 0.22 0.21 1.03 0.00 0.00 0.00 179.25 180.74 3kqx h SER 295 N 0.73 0.22 -0.36 0.00 0.87 -1.10 0.07 113.55 113.98 3kqx h SER 295 Ca 0.19 0.07 0.03 0.00 -1.23 0.00 0.00 61.79 60.85 3kqx h SER 295 Cb 0.04 0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3kqx h SER 295 CO -0.03 0.14 0.16 1.56 -0.53 0.00 0.00 176.83 178.13 3kqx h GLN 296 N 0.39 0.32 -0.76 2.24 4.20 -0.92 0.18 115.11 120.76 3kqx h GLN 296 Ca 0.27 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.95 3kqx h GLN 296 Cb 0.30 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3kqx h GLN 296 CO -0.27 0.21 0.42 -0.07 -0.67 0.00 0.00 178.83 178.45 3kqx h LEU 297 N 0.33 0.95 0.14 1.46 3.38 -0.95 -2.24 115.31 118.37 3kqx h LEU 297 Ca 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kqx h LEU 297 Cb 0.10 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3kqx h LEU 297 CO -0.14 0.77 -0.07 0.40 0.09 0.00 0.00 178.44 179.50 3kqx h ILE 298 N 1.05 1.00 0.00 1.22 2.04 -0.47 -3.10 117.51 119.25 3kqx h ILE 298 Ca 0.27 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 3kqx h ILE 298 Cb 0.03 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3kqx h ILE 298 CO -0.04 0.14 -0.13 0.00 0.00 0.00 0.00 178.15 178.12 3kqx h ALA 299 N 0.34 1.41 -2.44 1.87 0.00 -0.68 -3.41 119.26 116.34 3kqx h ALA 299 Ca -0.02 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 54.24 3kqx h ALA 299 Cb 0.37 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.17 3kqx h ALA 299 CO 0.03 0.16 1.17 0.00 0.00 0.00 0.00 179.25 180.62 3kqx s ALA 300 N -4.34 3.68 0.95 0.00 0.00 -0.84 -4.96 121.76 116.24 3kqx s ALA 300 Ca -0.03 1.40 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 3kqx s ALA 300 Cb 0.14 -3.80 0.16 0.00 0.00 0.00 0.00 23.12 19.62 3kqx s ALA 300 CO 0.61 -1.39 1.09 -2.14 0.00 0.00 0.00 175.76 173.93 3kqx s PRO 301 N 3.53 0.81 0.41 0.00 0.02 -1.26 -4.58 135.00 133.92 3kqx s PRO 301 Ca 0.85 0.75 0.22 0.00 0.02 0.00 0.00 61.00 62.83 3kqx s PRO 301 Cb -0.45 -1.76 0.78 0.00 0.02 0.00 0.00 34.50 33.09 3kqx s PRO 301 CO 0.39 -2.53 1.77 0.77 -0.33 0.00 0.00 177.00 177.07 3kqx h SER 302 N -1.76 0.00 0.22 2.53 0.02 -1.81 0.30 113.55 113.05 3kqx h SER 302 Ca -0.52 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 3kqx h SER 302 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3kqx h SER 302 CO 0.55 0.29 -0.30 -0.55 -1.14 0.00 0.00 176.83 175.68 3kqx h ASN 303 N 0.00 0.13 0.12 3.07 -1.07 -1.94 -3.29 115.58 112.61 3kqx h ASN 303 Ca -0.00 -0.04 -0.32 0.00 0.07 0.00 0.00 56.30 56.01 3kqx h ASN 303 Cb 0.84 -0.04 -0.01 0.00 -2.07 0.00 0.00 38.32 37.05 3kqx h ASN 303 CO 0.04 0.43 -1.68 1.88 0.07 0.00 0.00 177.43 178.17 3kqx h TYR 304 N 0.12 0.47 -3.49 4.14 0.05 -1.58 -3.41 116.97 113.27 3kqx h TYR 304 Ca 0.02 -0.34 -0.71 0.00 0.05 0.00 0.00 58.73 57.75 3kqx h TYR 304 Cb 0.59 -0.02 -0.33 0.00 1.01 0.00 0.00 36.73 37.98 3kqx h TYR 304 CO 0.01 1.66 -0.39 0.00 -1.05 0.00 0.00 178.16 178.38 3kqx s ASN 306 N 1.54 3.55 0.41 0.00 2.20 -1.25 -4.31 114.94 117.08 3kqx s ASN 306 Ca 0.12 -1.70 0.12 0.00 -0.94 0.00 0.00 52.86 50.46 3kqx s ASN 306 Cb -0.22 0.59 0.86 0.00 -2.00 0.00 0.00 41.25 40.48 3kqx s ASN 306 CO -0.03 -0.93 1.94 -0.65 -2.94 0.00 0.00 177.10 174.49 3kqx h PRO 307 N 1.52 0.13 -0.01 3.55 0.11 -1.87 0.20 132.00 135.63 3kqx h PRO 307 Ca -0.39 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 3kqx h PRO 307 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kqx h PRO 307 CO 0.65 0.30 -0.24 0.28 -0.21 0.00 0.00 178.00 178.78 3kqx h VAL 308 N 0.13 1.52 -0.31 3.15 2.07 -1.94 -3.11 116.25 117.76 3kqx h VAL 308 Ca 0.03 -1.87 -0.11 0.00 0.82 0.00 0.00 66.70 65.57 3kqx h VAL 308 Cb 0.37 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.80 3kqx h VAL 308 CO 0.02 0.51 -0.25 0.77 0.02 0.00 0.00 177.57 178.65 3kqx h SER 309 N -0.45 0.62 -0.51 0.57 4.64 -1.83 -1.23 113.55 115.35 3kqx h SER 309 Ca -0.03 -0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 3kqx h SER 309 Cb 0.97 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.87 3kqx h SER 309 CO 0.05 0.85 0.27 0.25 -0.87 0.00 0.00 176.83 177.38 3kqx h LEU 310 N 0.53 0.64 -0.77 5.97 6.46 -1.10 -1.71 115.31 125.34 3kqx h LEU 310 Ca 0.07 -0.10 -0.07 0.00 -0.12 0.00 0.00 57.88 57.66 3kqx h LEU 310 Cb 0.71 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.45 3kqx h LEU 310 CO 0.05 0.55 0.10 0.77 -0.62 0.00 0.00 178.44 179.30 3kqx h SER 311 N 0.68 0.99 -0.90 1.25 4.64 -1.47 -0.28 113.55 118.46 3kqx h SER 311 Ca 0.18 -0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3kqx h SER 311 Cb 0.06 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3kqx h SER 311 CO -0.03 0.99 0.49 0.78 -0.87 0.00 0.00 176.83 178.19 3kqx h ASN 312 N 0.97 1.13 0.21 4.97 2.35 -1.16 -0.74 115.58 123.31 3kqx h ASN 312 Ca 0.19 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3kqx h ASN 312 Cb 0.42 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3kqx h ASN 312 CO 0.01 0.91 -0.53 0.00 -1.65 0.00 0.00 177.43 176.17 3kqx h ALA 313 N 1.27 0.86 -0.56 -0.83 0.00 -0.95 -0.90 119.26 118.14 3kqx h ALA 313 Ca 0.32 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 3kqx h ALA 313 Cb 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kqx h ALA 313 CO -0.05 0.68 -0.05 0.00 0.00 0.00 0.00 179.25 179.83 3kqx h ALA 314 N 1.16 0.85 -0.16 0.00 0.00 -0.57 -0.91 119.26 119.63 3kqx h ALA 314 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3kqx h ALA 314 Cb 1.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kqx h ALA 314 CO 0.09 0.66 0.10 0.28 0.00 0.00 0.00 179.25 180.38 3kqx h VAL 315 N 0.91 1.06 -0.76 0.00 2.07 -0.97 -0.71 116.25 117.85 3kqx h VAL 315 Ca 0.15 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.67 3kqx h VAL 315 Cb 0.60 0.86 -0.09 0.00 -1.52 0.00 0.00 31.29 31.14 3kqx h VAL 315 CO 0.04 0.06 0.35 -0.08 0.02 0.00 0.00 177.57 177.95 3kqx h GLU 316 N 0.20 0.52 -0.34 1.57 4.81 -0.89 -1.19 114.58 119.26 3kqx h GLU 316 Ca 0.06 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3kqx h GLU 316 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3kqx h GLU 316 CO -0.01 0.34 0.09 1.25 -0.73 0.00 0.00 179.01 179.95 3kqx h LEU 317 N 0.54 0.50 -1.37 1.64 5.85 -0.92 -2.14 115.31 119.40 3kqx h LEU 317 Ca 0.41 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3kqx h LEU 317 Cb 0.55 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3kqx h LEU 317 CO -0.35 0.60 0.34 0.00 -0.34 0.00 0.00 178.44 178.68 3kqx h ALA 318 N 0.93 1.53 -0.15 1.25 0.00 -0.67 -1.58 119.26 120.57 3kqx h ALA 318 Ca 0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3kqx h ALA 318 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3kqx h ALA 318 CO -0.00 0.41 -0.53 1.96 0.00 0.00 0.00 179.25 181.09 3kqx h GLN 319 N 0.78 0.42 0.00 0.00 4.20 -0.97 0.13 115.11 119.68 3kqx h GLN 319 Ca 0.21 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.55 3kqx h GLN 319 Cb -0.03 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3kqx h GLN 319 CO -0.04 0.85 -0.53 0.87 -0.67 0.00 0.00 178.83 179.31 3kqx h LYS 320 N 0.33 0.00 -0.02 1.46 1.57 -0.75 -3.18 116.57 115.98 3kqx h LYS 320 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kqx h LYS 320 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3kqx h LYS 320 CO 0.09 0.53 -0.09 1.28 -0.57 0.00 0.00 179.45 180.69 3kqx n LEU 321 N -3.72 2.55 -2.99 2.94 4.77 -0.66 -4.99 117.00 114.90 3kqx n LEU 321 Ca -0.01 -0.95 -0.21 0.00 -0.03 0.00 0.00 56.01 54.82 3kqx n LEU 321 Cb 0.57 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.72 3kqx n LEU 321 CO 0.40 0.44 0.12 0.59 -1.33 0.00 0.00 177.39 177.61 3kqx n ASN 322 N 0.90 -5.77 -4.86 -1.43 3.02 0.11 -4.96 115.26 102.26 3kqx n ASN 322 Ca 0.11 -0.38 -0.33 0.00 -0.03 0.00 0.00 54.58 53.96 3kqx n ASN 322 Cb 0.50 -4.49 -0.06 0.00 -0.61 0.00 0.00 39.78 35.13 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 -6.30 4.16 0.62 3.41 1.43 0.23 -5.02 118.68 117.21 3kqx s LEU 323 Ca 0.41 1.08 -0.18 0.00 -1.03 0.00 0.00 54.13 54.41 3kqx s LEU 323 Cb -0.18 -3.77 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 3kqx s LEU 323 CO 0.50 -0.10 1.20 -1.61 0.23 0.00 0.00 176.35 176.58 3kqx s GLU 324 N -2.75 2.84 -0.06 1.70 2.02 -1.09 -4.60 118.70 116.76 3kqx s GLU 324 Ca 0.48 1.80 -0.14 0.00 0.02 0.00 0.00 54.97 57.14 3kqx s GLU 324 Cb -0.11 -1.92 0.03 0.00 0.10 0.00 0.00 34.13 32.23 3kqx s GLU 324 CO 0.20 -1.30 0.33 1.52 0.02 0.00 0.00 175.26 176.02 3kqx s TYR 325 N -1.69 -0.27 -0.06 1.61 -0.85 -1.26 -0.82 117.35 114.01 3kqx s TYR 325 Ca 0.77 0.56 -0.03 0.00 -0.52 0.00 0.00 57.07 57.84 3kqx s TYR 325 Cb -0.30 0.11 0.03 0.00 0.38 0.00 0.00 41.96 42.19 3kqx s TYR 325 CO 0.35 -0.30 0.15 0.21 -1.52 0.00 0.00 175.55 174.44 3kqx s LYS 326 N -0.66 0.11 -0.28 -3.49 2.20 0.26 -5.00 119.74 112.88 3kqx s LYS 326 Ca -0.08 0.34 -0.05 0.00 -0.36 0.00 0.00 55.97 55.82 3kqx s LYS 326 Cb -0.04 -0.12 0.02 0.00 -1.51 0.00 0.00 37.83 36.17 3kqx s LYS 326 CO 0.03 -0.13 0.04 0.42 -0.36 0.00 0.00 175.35 175.34 3kqx s ILE 327 N 0.94 3.60 -0.13 5.43 -1.09 -1.26 -1.27 121.20 127.42 3kqx s ILE 327 Ca -0.07 -0.83 -0.22 0.00 -2.23 0.00 0.00 60.65 57.30 3kqx s ILE 327 Cb -0.09 -2.86 -0.03 0.00 -1.58 0.00 0.00 42.46 37.89 3kqx s ILE 327 CO -0.05 0.10 0.66 -0.76 -1.23 0.00 0.00 174.94 173.66 3kqx s LEU 328 N 1.44 4.24 0.00 2.97 1.02 -0.06 -4.88 118.68 123.41 3kqx s LEU 328 Ca 0.01 1.01 0.02 0.00 0.02 0.00 0.00 54.13 55.20 3kqx s LEU 328 Cb -0.17 -2.98 0.08 0.00 0.02 0.00 0.00 46.19 43.13 3kqx s LEU 328 CO 0.00 -0.19 0.56 0.61 0.02 0.00 0.00 176.35 177.35 3kqx n GLY 329 N 3.40 1.08 0.29 -3.19 0.00 -1.26 -0.83 105.19 104.69 3kqx n GLY 329 Ca -0.01 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.34 1.25 -0.31 1.61 2.07 -1.97 -0.54 116.25 118.04 3kqx h VAL 330 Ca -0.19 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.43 3kqx h VAL 330 Cb 0.73 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3kqx h VAL 330 CO 0.22 0.35 0.07 0.11 0.02 0.00 0.00 177.57 178.34 3kqx h LYS 331 N 0.89 0.18 -0.23 1.57 6.56 -1.96 0.42 116.57 124.01 3kqx h LYS 331 Ca 0.19 -0.01 -0.14 0.00 -1.06 0.00 0.00 60.65 59.63 3kqx h LYS 331 Cb 0.38 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 3kqx h LYS 331 CO 0.01 0.12 -0.43 0.93 -2.06 0.00 0.00 179.45 178.02 3kqx h GLU 332 N 0.19 0.57 -0.38 3.15 3.07 -1.84 -2.45 114.58 116.88 3kqx h GLU 332 Ca 0.14 -0.30 -0.07 0.00 -0.50 0.00 0.00 59.36 58.63 3kqx h GLU 332 Cb 0.14 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 3kqx h GLU 332 CO -0.18 0.89 -0.06 -0.07 -1.40 0.00 0.00 179.01 178.19 3kqx h LEU 333 N 0.46 0.62 -0.39 1.33 3.38 -0.63 -0.92 115.31 119.15 3kqx h LEU 333 Ca 0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3kqx h LEU 333 Cb 0.93 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3kqx h LEU 333 CO 0.08 0.73 0.08 -0.33 0.09 0.00 0.00 178.44 179.09 3kqx h GLU 334 N 0.60 0.64 -0.67 1.13 5.08 -0.79 -1.36 114.58 119.20 3kqx h GLU 334 Ca 0.11 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3kqx h GLU 334 Cb 0.46 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3kqx h GLU 334 CO 0.02 0.67 0.44 0.93 -1.00 0.00 0.00 179.01 180.08 3kqx h GLU 335 N 0.49 0.84 0.00 2.33 5.08 -1.18 -0.22 114.58 121.92 3kqx h GLU 335 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kqx h GLU 335 Cb 0.33 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3kqx h GLU 335 CO 0.00 0.56 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 3kqx n LEU 336 N -4.44 0.00 -2.53 1.33 4.77 -0.37 -4.92 117.00 110.83 3kqx n LEU 336 Ca 0.08 0.31 -0.19 0.00 -0.03 0.00 0.00 56.01 56.18 3kqx n LEU 336 Cb 0.07 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 40.88 3kqx n LEU 336 CO 0.35 -0.06 -0.01 0.29 -1.33 0.00 0.00 177.39 176.63 3kqx n LYS 337 N -1.31 -3.98 -1.76 3.23 4.76 -0.10 -4.73 118.16 114.28 3kqx n LYS 337 Ca 0.11 0.77 -0.42 0.00 -2.87 0.00 0.00 58.31 55.90 3kqx n LYS 337 Cb 0.20 -5.32 -0.00 0.00 -1.84 0.00 0.00 35.03 28.07 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kqx n MET 338 N -3.45 2.95 0.23 1.97 2.81 -0.84 -2.76 117.12 118.04 3kqx n MET 338 Ca -0.10 -2.66 0.09 0.00 -1.81 0.00 0.00 57.70 53.22 3kqx n MET 338 Cb 0.60 -3.24 0.58 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 9.69 0.00 0.38 3.03 0.00 -1.74 -1.64 103.07 112.79 3kqx h GLY 339 Ca 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 3kqx h GLY 339 CO 1.86 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 178.31 3kqx h ALA 340 N 1.80 0.03 -0.47 3.60 0.00 -1.85 -2.19 119.26 120.18 3kqx h ALA 340 Ca -0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3kqx h ALA 340 Cb 0.46 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3kqx h ALA 340 CO 0.03 -0.05 0.22 -0.92 0.00 0.00 0.00 179.25 178.53 3kqx h TYR 341 N -0.59 0.67 -0.61 0.00 3.20 -1.67 -3.01 116.97 114.95 3kqx h TYR 341 Ca -0.01 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3kqx h TYR 341 Cb 0.81 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3kqx h TYR 341 CO 0.17 0.54 0.16 -0.07 -1.64 0.00 0.00 178.16 177.32 3kqx h LEU 342 N 0.61 0.88 -1.09 2.82 3.38 -1.36 -2.70 115.31 117.85 3kqx h LEU 342 Ca 0.16 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3kqx h LEU 342 Cb 0.12 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3kqx h LEU 342 CO -0.02 0.84 0.61 0.28 0.09 0.00 0.00 178.44 180.25 3kqx h SER 343 N 0.90 0.98 -0.67 -0.43 0.02 -1.29 -2.26 113.55 110.80 3kqx h SER 343 Ca 0.20 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3kqx h SER 343 Cb 0.30 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3kqx h SER 343 CO -0.00 0.65 0.27 0.58 -1.14 0.00 0.00 176.83 177.19 3kqx h VAL 344 N 1.13 1.24 -0.02 2.27 2.07 -1.36 -2.66 116.25 118.93 3kqx h VAL 344 Ca 0.39 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3kqx h VAL 344 Cb 0.11 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3kqx h VAL 344 CO -0.14 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3kqx n GLY 345 N -0.85 -0.54 0.36 2.17 0.00 -0.94 -4.26 105.19 101.13 3kqx n GLY 345 Ca 0.05 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.85 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 1.04 0.70 -0.01 1.61 1.57 -1.04 -2.40 116.57 118.03 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 0.22 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3kqx h LYS 346 CO 0.00 0.46 -0.02 0.41 -0.57 0.00 0.00 179.45 179.73 3kqx n GLY 347 N -1.45 -0.61 3.80 3.86 0.00 -1.25 -4.48 105.19 105.06 3kqx n GLY 347 Ca 0.12 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.08 7.15 0.24 1.61 0.15 -0.91 -4.61 113.70 115.25 3kqx s SER 348 Ca 0.41 1.43 0.22 0.00 0.70 0.00 0.00 55.95 58.70 3kqx s SER 348 Cb 0.21 -2.42 0.96 0.00 -1.71 0.00 0.00 66.02 63.07 3kqx s SER 348 CO 0.37 0.15 1.66 1.15 1.20 0.00 0.00 173.24 177.78 3kqx n MET 349 N 1.24 0.16 -3.71 5.44 0.00 -1.26 -4.70 117.12 114.29 3kqx n MET 349 Ca -0.06 0.45 -0.36 0.00 0.00 0.00 0.00 57.70 57.74 3kqx n MET 349 Cb 0.50 -1.85 -0.09 0.00 0.00 0.00 0.00 33.22 31.78 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 -3.33 3.35 0.40 3.17 1.51 -1.26 -4.91 117.35 116.28 3kqx s TYR 350 Ca 0.03 0.25 -0.26 0.00 -1.01 0.00 0.00 57.07 56.08 3kqx s TYR 350 Cb 0.08 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.64 3kqx s TYR 350 CO 0.34 0.17 1.34 -2.14 -1.11 0.00 0.00 175.55 174.14 3kqx s PRO 351 N 0.71 3.97 0.36 -1.71 0.02 -1.26 -4.81 135.00 132.28 3kqx s PRO 351 Ca 0.07 2.23 -0.26 0.00 0.02 0.00 0.00 61.00 63.07 3kqx s PRO 351 Cb -0.12 -2.79 -0.12 0.00 0.02 0.00 0.00 34.50 31.49 3kqx s PRO 351 CO 0.01 -0.52 1.06 0.09 -0.33 0.00 0.00 177.00 177.32 3kqx n ASN 352 N 0.16 1.57 -3.75 2.53 4.13 -1.26 -4.50 115.26 114.14 3kqx n ASN 352 Ca 0.03 1.12 -0.17 0.00 1.68 0.00 0.00 54.58 57.24 3kqx n ASN 352 Cb 0.43 -1.36 -0.17 0.00 -1.54 0.00 0.00 39.78 37.14 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 -1.83 0.01 -0.31 3.52 -0.14 -1.01 -4.10 119.74 115.88 3kqx s LYS 353 Ca 0.60 0.22 -0.11 0.00 -1.36 0.00 0.00 55.97 55.32 3kqx s LYS 353 Cb -0.61 -0.36 -0.03 0.00 -1.68 0.00 0.00 37.83 35.16 3kqx s LYS 353 CO 0.59 -0.21 0.19 0.12 -0.76 0.00 0.00 175.35 175.29 3kqx s PHE 354 N 1.35 3.20 -0.08 3.18 2.19 -0.01 -1.39 117.98 126.42 3kqx s PHE 354 Ca -0.06 -0.22 -0.19 0.00 0.33 0.00 0.00 56.93 56.80 3kqx s PHE 354 Cb -0.13 -2.40 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 3kqx s PHE 354 CO -0.03 -0.33 0.52 0.42 1.83 0.00 0.00 175.22 177.63 3kqx s ILE 355 N 1.70 5.11 -0.24 3.12 1.01 0.05 -0.88 121.20 131.07 3kqx s ILE 355 Ca 0.06 1.05 -0.04 0.00 0.00 0.00 0.00 60.65 61.71 3kqx s ILE 355 Cb -0.17 -3.85 0.09 0.00 0.01 0.00 0.00 42.46 38.54 3kqx s ILE 355 CO 0.09 0.35 0.12 -2.28 0.00 0.00 0.00 174.94 173.22 3kqx s HIS 356 N 0.37 0.25 0.14 3.97 2.46 -0.40 -1.33 115.29 120.75 3kqx s HIS 356 Ca 0.28 -0.65 0.05 0.00 0.47 0.00 0.00 55.06 55.21 3kqx s HIS 356 Cb -0.16 -0.81 -0.04 0.00 -0.13 0.00 0.00 32.58 31.44 3kqx s HIS 356 CO 0.13 -0.71 0.07 -0.51 -2.47 0.00 0.00 174.74 171.25 3kqx s LEU 357 N 2.12 3.64 -0.05 8.88 1.02 -0.30 -0.57 118.68 133.42 3kqx s LEU 357 Ca 0.06 -0.17 0.01 0.00 0.02 0.00 0.00 54.13 54.05 3kqx s LEU 357 Cb -0.16 -2.29 0.02 0.00 0.02 0.00 0.00 46.19 43.78 3kqx s LEU 357 CO -0.26 0.11 -0.06 -0.89 0.02 0.00 0.00 176.35 175.27 3kqx s THR 358 N -1.61 0.63 -0.15 5.49 2.01 0.00 -0.95 115.64 121.05 3kqx s THR 358 Ca 0.29 -0.18 -0.06 0.00 0.31 0.00 0.00 61.69 62.05 3kqx s THR 358 Cb -0.11 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 3kqx s THR 358 CO 0.21 0.24 0.05 -0.47 -0.69 0.00 0.00 174.62 173.97 3kqx s TYR 359 N 0.84 3.26 -0.06 4.92 5.04 0.02 -2.67 117.35 128.71 3kqx s TYR 359 Ca -0.12 0.13 0.01 0.00 -2.44 0.00 0.00 57.07 54.65 3kqx s TYR 359 Cb -0.15 -1.99 0.02 0.00 0.35 0.00 0.00 41.96 40.19 3kqx s TYR 359 CO 0.01 0.28 -0.07 0.21 -1.34 0.00 0.00 175.55 174.64 3kqx s LYS 360 N -0.07 1.15 0.60 4.97 2.20 -1.26 -1.01 119.74 126.31 3kqx s LYS 360 Ca 0.06 -0.21 -0.19 0.00 -0.36 0.00 0.00 55.97 55.28 3kqx s LYS 360 Cb -0.12 -1.08 -0.03 0.00 -1.51 0.00 0.00 37.83 35.09 3kqx s LYS 360 CO 0.01 -0.06 1.20 -1.12 -0.36 0.00 0.00 175.35 175.02 3kqx s SER 361 N 0.91 5.16 0.32 1.43 0.01 -0.19 -4.95 113.70 116.40 3kqx s SER 361 Ca -0.11 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.52 3kqx s SER 361 Cb -0.15 -2.60 0.53 0.00 0.21 0.00 0.00 66.02 64.02 3kqx s SER 361 CO 0.01 -1.61 1.98 0.07 0.41 0.00 0.00 173.24 174.10 3kqx h LYS 362 N 0.82 0.97 0.00 12.44 -0.00 -1.91 -3.46 116.57 125.44 3kqx h LYS 362 Ca -0.50 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.09 3kqx h LYS 362 Cb 1.30 -0.22 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 3kqx h LYS 362 CO 0.55 0.64 0.00 0.41 -0.00 0.00 0.00 179.45 181.05 3kqx n GLY 363 N -1.42 0.52 3.80 0.07 0.00 -1.26 -4.97 105.19 101.92 3kqx n GLY 363 Ca 0.09 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3kqx n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqx s ASP 364 N -1.09 7.15 -0.31 1.61 1.11 -1.26 -4.98 116.67 118.90 3kqx s ASP 364 Ca 0.00 1.74 -0.17 0.00 0.18 0.00 0.00 52.55 54.30 3kqx s ASP 364 Cb 0.00 -2.55 -0.02 0.00 1.07 0.00 0.00 42.92 41.42 3kqx s ASP 364 CO 0.00 -0.19 0.48 -0.69 1.18 0.00 0.00 175.17 175.95 3kqx s VAL 365 N -1.86 5.07 -0.10 -1.27 1.01 -1.26 -3.69 120.40 118.31 3kqx s VAL 365 Ca 0.55 0.51 0.20 0.00 0.00 0.00 0.00 61.98 63.23 3kqx s VAL 365 Cb -0.14 -3.87 -0.29 0.00 0.00 0.00 0.00 36.38 32.07 3kqx s VAL 365 CO 0.19 -0.06 0.30 0.29 0.00 0.00 0.00 175.10 175.82 3kqx n LYS 366 N 5.59 0.71 -4.01 2.72 5.02 0.17 -4.95 118.16 123.41 3kqx n LYS 366 Ca -0.06 -0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 55.96 3kqx n LYS 366 Cb 0.49 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 3kqx n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kqx s LYS 367 N -3.06 0.31 -0.14 1.97 2.47 -0.94 -5.04 119.74 115.31 3kqx s LYS 367 Ca -0.08 -0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.29 3kqx s LYS 367 Cb 0.10 -0.38 -0.01 0.00 -1.46 0.00 0.00 37.83 36.09 3kqx s LYS 367 CO 0.85 -0.02 -0.15 0.15 0.16 0.00 0.00 175.35 176.34 3kqx s LYS 368 N 0.40 3.26 -0.03 4.03 1.02 -1.26 -1.00 119.74 126.15 3kqx s LYS 368 Ca -0.04 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.24 3kqx s LYS 368 Cb -0.07 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.64 3kqx s LYS 368 CO -0.01 0.09 -0.10 0.42 -0.92 0.00 0.00 175.35 174.84 3kqx s ILE 369 N 0.64 0.85 -0.19 2.17 1.01 -0.33 -0.35 121.20 125.00 3kqx s ILE 369 Ca -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 60.65 60.15 3kqx s ILE 369 Cb -0.16 -0.76 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3kqx s ILE 369 CO 0.03 0.27 -0.03 0.00 0.00 0.00 0.00 174.94 175.20 3kqx s ALA 370 N 0.28 2.92 -0.25 9.38 0.00 -0.18 -0.70 121.76 133.22 3kqx s ALA 370 Ca -0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 3kqx s ALA 370 Cb -0.10 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.34 3kqx s ALA 370 CO 0.01 -0.13 0.05 -0.51 0.00 0.00 0.00 175.76 175.18 3kqx s LEU 371 N 0.97 3.35 -0.17 0.00 1.43 0.61 -0.82 118.68 124.05 3kqx s LEU 371 Ca 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3kqx s LEU 371 Cb -0.15 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.20 3kqx s LEU 371 CO 0.01 -0.04 -0.17 -0.69 0.23 0.00 0.00 176.35 175.69 3kqx s VAL 372 N 1.58 2.42 -0.11 -1.59 1.01 -0.06 -0.98 120.40 122.67 3kqx s VAL 372 Ca 0.06 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.23 3kqx s VAL 372 Cb -0.15 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 3kqx s VAL 372 CO 0.02 0.52 -0.20 -0.83 0.00 0.00 0.00 175.10 174.61 3kqx s GLY 373 N 1.12 1.41 0.20 4.51 0.00 -0.64 -0.60 107.32 113.33 3kqx s GLY 373 Ca 0.00 -0.94 -0.32 0.00 0.00 0.00 0.00 44.72 43.47 3kqx s GLY 373 CO -0.06 -0.29 1.69 1.25 0.00 0.00 0.00 173.10 175.69 3kqx s LYS 374 N 0.32 4.14 -0.44 2.90 2.20 -0.31 -4.14 119.74 124.42 3kqx s LYS 374 Ca -0.15 2.55 0.10 0.00 -0.36 0.00 0.00 55.97 58.11 3kqx s LYS 374 Cb -0.17 -3.09 0.38 0.00 -1.51 0.00 0.00 37.83 33.44 3kqx s LYS 374 CO 0.08 -0.72 0.91 0.41 -0.36 0.00 0.00 175.35 175.66 3kqx n GLY 375 N 3.89 4.26 3.52 5.54 0.00 -1.26 -0.89 105.19 120.24 3kqx n GLY 375 Ca 0.15 -2.14 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 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 -3.75 4.88 -0.29 -0.61 -1.09 -0.80 -1.78 121.20 117.77 3kqx s ILE 376 Ca 0.42 0.07 0.23 0.00 -2.23 0.00 0.00 60.65 59.13 3kqx s ILE 376 Cb 0.36 -4.16 0.28 0.00 -1.58 0.00 0.00 42.46 37.36 3kqx s ILE 376 CO -0.10 -0.54 1.63 0.71 -1.23 0.00 0.00 174.94 175.42 3kqx h THR 377 N 5.83 0.20 -2.43 2.92 1.35 -1.43 -1.04 112.91 118.31 3kqx h THR 377 Ca -0.26 -1.20 -0.07 0.00 -0.55 0.00 0.00 66.41 64.34 3kqx h THR 377 Cb 1.10 2.02 -0.25 0.00 -1.73 0.00 0.00 68.15 69.29 3kqx h THR 377 CO 0.87 0.11 -0.20 0.12 -0.25 0.00 0.00 175.52 176.17 3kqx s PHE 378 N -3.23 -0.77 -0.36 4.73 5.36 -1.26 -4.38 117.98 118.07 3kqx s PHE 378 Ca 0.05 1.58 -0.00 0.00 -0.96 0.00 0.00 56.93 57.60 3kqx s PHE 378 Cb 0.06 0.39 0.09 0.00 -0.34 0.00 0.00 43.02 43.23 3kqx s PHE 378 CO 0.67 -0.41 0.10 0.34 -1.46 0.00 0.00 175.22 174.45 3kqx s ASP 379 N 1.56 4.98 0.26 6.13 2.15 -1.22 -1.02 116.67 129.51 3kqx s ASP 379 Ca -0.09 -1.88 0.25 0.00 0.43 0.00 0.00 52.55 51.26 3kqx s ASP 379 Cb -0.08 -1.73 0.70 0.00 -0.30 0.00 0.00 42.92 41.52 3kqx s ASP 379 CO -0.15 -0.41 1.73 0.77 -0.17 0.00 0.00 175.17 176.94 3kqx h SER 380 N 7.89 0.00 0.00 -0.34 4.64 -1.76 -3.45 113.55 120.52 3kqx h SER 380 Ca -0.12 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3kqx h SER 380 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3kqx h SER 380 CO 0.59 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.17 3kqx n GLY 381 N 1.27 3.36 7.00 -0.77 0.00 -1.26 -1.07 105.19 113.72 3kqx n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.00 -0.51 0.40 -0.02 0.00 -1.26 -2.30 105.19 99.50 3kqx n GLY 382 Ca 0.00 -1.11 0.23 0.00 0.00 0.00 0.00 46.02 45.14 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 0.71 0.00 1.61 0.05 -1.82 -0.42 116.97 117.09 3kqx h TYR 383 Ca 0.00 0.02 -0.45 0.00 0.05 0.00 0.00 58.73 58.35 3kqx h TYR 383 Cb 0.00 -0.20 0.01 0.00 1.01 0.00 0.00 36.73 37.55 3kqx h TYR 383 CO 0.00 0.04 2.71 0.09 -1.05 0.00 0.00 178.16 179.94 3kqx n ASN 384 N -4.68 6.18 -4.64 3.88 4.13 -1.22 -4.97 115.26 113.94 3kqx n ASN 384 Ca 0.27 -2.40 -0.41 0.00 1.68 0.00 0.00 54.58 53.72 3kqx n ASN 384 Cb 0.90 -1.26 0.02 0.00 -1.54 0.00 0.00 39.78 37.90 3kqx n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqx n LEU 385 N 3.78 3.14 -4.57 3.41 7.94 -0.17 -4.51 117.00 126.02 3kqx n LEU 385 Ca 0.55 1.03 -0.33 0.00 -1.11 0.00 0.00 56.01 56.15 3kqx n LEU 385 Cb 0.24 -1.40 -0.04 0.00 0.53 0.00 0.00 43.42 42.75 3kqx n LEU 385 CO 0.69 -1.28 1.60 -0.54 -1.11 0.00 0.00 177.39 176.76 3kqx s LYS 386 N -2.15 3.02 -0.00 1.96 1.02 -0.23 -4.56 119.74 118.80 3kqx s LYS 386 Ca 0.64 -1.25 0.06 0.00 0.02 0.00 0.00 55.97 55.44 3kqx s LYS 386 Cb -0.53 -5.31 -0.07 0.00 -0.52 0.00 0.00 37.83 31.40 3kqx s LYS 386 CO 0.56 -3.23 0.21 0.00 -0.92 0.00 0.00 175.35 171.97 3kqx n ALA 387 N 12.12 2.58 -1.79 5.17 0.00 -1.26 -4.64 120.51 132.70 3kqx n ALA 387 Ca 0.44 -0.16 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 3kqx n ALA 387 Cb 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.84 2.91 -0.20 0.00 0.00 -1.26 -4.96 121.76 116.41 3kqx s ALA 388 Ca 0.01 0.70 -0.41 0.00 0.00 0.00 0.00 51.96 52.26 3kqx s ALA 388 Cb 0.04 -3.29 -0.18 0.00 0.00 0.00 0.00 23.12 19.69 3kqx s ALA 388 CO 0.24 -0.39 1.47 -2.30 0.00 0.00 0.00 175.76 174.78 3kqx n PRO 389 N -0.73 0.58 -0.63 0.00 -0.02 -1.26 -1.55 135.00 131.39 3kqx n PRO 389 Ca 0.08 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3kqx n PRO 389 Cb 0.51 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 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 3.20 0.81 0.18 -1.23 0.00 -1.26 -4.91 105.19 101.99 3kqx n GLY 390 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -5.97 1.61 4.64 -1.65 -3.48 113.55 108.70 3kqx h SER 391 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 3kqx h SER 391 Cb 0.00 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.17 3kqx h SER 391 CO 0.00 0.00 -0.79 0.23 -0.87 0.00 0.00 176.83 175.40 3kqx n MET 392 N -2.73 -5.72 0.28 4.77 2.81 -1.26 -4.87 117.12 110.41 3kqx n MET 392 Ca 0.04 0.70 0.14 0.00 -1.81 0.00 0.00 57.70 56.76 3kqx n MET 392 Cb 0.41 -5.46 0.84 0.00 -0.71 0.00 0.00 33.22 28.30 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 -1.98 0.55 0.00 2.02 2.10 -1.93 -0.37 117.51 117.91 3kqx h ILE 393 Ca -0.60 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.12 3kqx h ILE 393 Cb 1.36 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 38.23 3kqx h ILE 393 CO 0.56 0.05 0.00 -0.90 -1.08 0.00 0.00 178.15 176.78 3kqx n ASP 394 N -3.77 0.30 0.02 2.19 5.75 -1.26 -2.10 116.55 117.68 3kqx n ASP 394 Ca -0.03 0.59 0.12 0.00 -0.01 0.00 0.00 54.79 55.46 3kqx n ASP 394 Cb 0.15 -0.65 0.18 0.00 -1.03 0.00 0.00 41.12 39.77 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 -1.85 0.59 0.00 -2.12 7.94 -0.15 -4.62 117.00 116.79 3kqx n LEU 395 Ca 0.02 0.02 0.11 0.00 -1.11 0.00 0.00 56.01 55.05 3kqx n LEU 395 Cb 0.15 -0.20 0.64 0.00 0.53 0.00 0.00 43.42 44.54 3kqx n LEU 395 CO 0.13 0.08 0.86 0.23 -1.11 0.00 0.00 177.39 177.59 3kqx n MET 396 N -1.70 0.59 0.28 1.96 2.81 -0.89 -1.01 117.12 119.15 3kqx n MET 396 Ca 0.04 0.02 0.17 0.00 -1.81 0.00 0.00 57.70 56.13 3kqx n MET 396 Cb 0.37 -1.50 0.94 0.00 -0.71 0.00 0.00 33.22 32.32 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 0.00 0.03 2.10 -1.82 -2.63 116.57 114.25 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 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 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 -3.67 0.00 1.40 0.07 -0.00 -0.18 -3.88 117.46 111.20 3kqx n PHE 398 Ca -0.02 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.53 3kqx n PHE 398 Cb 0.16 -0.15 0.58 0.00 -0.00 0.00 0.00 39.48 40.07 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 -1.15 0.00 -1.45 5.98 2.03 -0.99 -0.76 116.55 120.21 3kqx n ASP 399 Ca 0.16 -0.79 0.10 0.00 0.52 0.00 0.00 54.79 54.78 3kqx n ASP 399 Cb 0.15 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 40.89 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 -0.94 3.35 0.18 -0.67 0.00 -0.39 -1.90 117.12 116.76 3kqx n MET 400 Ca 0.15 -2.78 0.11 0.00 0.00 0.00 0.00 57.70 55.18 3kqx n MET 400 Cb 0.07 -1.76 0.65 0.00 0.00 0.00 0.00 33.22 32.18 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 4.02 0.01 -0.10 3.17 0.02 -1.11 -1.52 113.55 118.05 3kqx h SER 401 Ca 0.00 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3kqx h SER 401 Cb 1.27 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.80 3kqx h SER 401 CO 0.14 0.01 -0.04 1.23 -1.14 0.00 0.00 176.83 177.03 3kqx h GLY 402 N 0.02 0.22 0.84 -3.77 0.00 -1.75 -0.86 103.07 97.76 3kqx h GLY 402 Ca 0.07 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.27 3kqx h GLY 402 CO -0.00 0.18 0.61 0.00 0.00 0.00 0.00 176.54 177.33 3kqx h ALA 404 N 1.48 0.58 -0.73 0.00 0.00 -1.10 -0.80 119.26 118.69 3kqx h ALA 404 Ca 0.40 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.15 3kqx h ALA 404 Cb 0.15 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3kqx h ALA 404 CO -0.15 0.30 0.42 0.00 0.00 0.00 0.00 179.25 179.83 3kqx h ALA 405 N 0.94 0.99 -0.62 0.00 0.00 -0.57 -0.07 119.26 119.93 3kqx h ALA 405 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3kqx h ALA 405 Cb 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3kqx h ALA 405 CO 0.01 0.11 0.14 0.28 0.00 0.00 0.00 179.25 179.78 3kqx h VAL 406 N 0.77 1.25 -0.00 0.00 2.07 -0.94 -0.99 116.25 118.41 3kqx h VAL 406 Ca 0.33 -0.92 -0.21 0.00 0.82 0.00 0.00 66.70 66.71 3kqx h VAL 406 Cb 0.20 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3kqx h VAL 406 CO -0.19 0.35 -0.91 -0.07 0.02 0.00 0.00 177.57 176.77 3kqx h LEU 407 N 0.93 0.44 -1.16 2.57 3.38 -0.73 -0.51 115.31 120.23 3kqx h LEU 407 Ca 0.20 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3kqx h LEU 407 Cb 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3kqx h LEU 407 CO 0.00 1.15 -0.10 1.23 0.09 0.00 0.00 178.44 180.81 3kqx h GLY 408 N 1.43 0.50 0.88 0.83 0.00 -0.90 -2.02 103.07 103.79 3kqx h GLY 408 Ca -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3kqx h GLY 408 CO 0.15 0.30 0.07 0.00 0.00 0.00 0.00 176.54 177.07 3kqx h ALA 410 N 0.90 1.39 -0.13 0.00 0.00 -0.78 0.21 119.26 120.85 3kqx h ALA 410 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.10 3kqx h ALA 410 Cb 0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3kqx h ALA 410 CO -0.00 -0.01 -0.20 -0.92 0.00 0.00 0.00 179.25 178.12 3kqx h TYR 411 N 0.73 -0.52 -0.31 0.00 3.20 -1.22 -0.03 116.97 118.82 3kqx h TYR 411 Ca 0.49 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.33 3kqx h TYR 411 Cb 0.65 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3kqx h TYR 411 CO -0.06 -0.28 0.00 0.00 -1.64 0.00 0.00 178.16 176.19 3kqx h VAL 413 N 0.35 1.27 -0.13 0.00 -1.51 -0.63 0.14 116.25 115.73 3kqx h VAL 413 Ca 0.09 -1.31 -0.02 0.00 -1.23 0.00 0.00 66.70 64.23 3kqx h VAL 413 Cb 0.43 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 3kqx h VAL 413 CO 0.02 0.45 0.01 1.23 -1.23 0.00 0.00 177.57 178.04 3kqx h GLY 414 N 0.93 0.19 0.44 5.19 0.00 -0.93 0.25 103.07 109.15 3kqx h GLY 414 Ca 0.12 -0.09 -0.25 0.00 0.00 0.00 0.00 47.33 47.11 3kqx h GLY 414 CO 0.06 0.08 -1.28 -0.84 0.00 0.00 0.00 176.54 174.56 3kqx h THR 415 N 0.18 1.08 0.00 4.70 2.02 -0.85 -3.37 112.91 116.67 3kqx h THR 415 Ca 0.05 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.86 3kqx h THR 415 Cb 0.12 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3kqx h THR 415 CO 0.00 0.65 -0.30 -0.07 0.37 0.00 0.00 175.52 176.17 3kqx h LEU 416 N -0.44 0.00 -2.90 2.58 3.38 -0.68 -3.49 115.31 113.76 3kqx h LEU 416 Ca -0.28 -0.06 -0.30 0.00 0.09 0.00 0.00 57.88 57.32 3kqx h LEU 416 Cb 1.64 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.49 3kqx h LEU 416 CO 0.02 0.03 -0.74 0.29 0.09 0.00 0.00 178.44 178.13 3kqx n LYS 417 N -2.45 -1.53 -1.93 1.13 5.02 0.88 -4.93 118.16 114.35 3kqx n LYS 417 Ca 0.04 0.81 -0.37 0.00 -2.02 0.00 0.00 58.31 56.76 3kqx n LYS 417 Cb 0.47 -4.72 0.04 0.00 -0.02 0.00 0.00 35.03 30.79 3kqx n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqx s PRO 418 N -4.86 3.08 0.62 1.97 0.04 -1.26 -5.03 135.00 129.57 3kqx s PRO 418 Ca 0.33 2.00 -0.09 0.00 0.04 0.00 0.00 61.00 63.27 3kqx s PRO 418 Cb -0.09 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 3kqx s PRO 418 CO 0.81 -1.17 0.99 -1.21 0.04 0.00 0.00 177.00 176.47 3kqx s GLU 419 N -3.10 3.24 -0.83 4.56 2.02 -1.26 -4.54 118.70 118.79 3kqx s GLU 419 Ca 0.74 0.45 0.00 0.00 0.02 0.00 0.00 54.97 56.18 3kqx s GLU 419 Cb -0.35 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.75 3kqx s GLU 419 CO 0.39 -0.69 0.00 0.09 0.02 0.00 0.00 175.26 175.08 3kqx n ASN 420 N -2.73 -5.13 -4.32 -0.19 3.02 -1.24 -4.98 115.26 99.69 3kqx n ASN 420 Ca 0.05 0.19 -0.19 0.00 -0.03 0.00 0.00 54.58 54.60 3kqx n ASN 420 Cb 0.56 -3.32 -0.11 0.00 -0.61 0.00 0.00 39.78 36.31 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 -1.90 1.65 -0.11 2.41 -7.23 -1.26 0.41 120.40 114.37 3kqx s VAL 421 Ca 0.00 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.16 3kqx s VAL 421 Cb 0.00 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 35.10 3kqx s VAL 421 CO 0.00 -0.48 -0.09 -0.70 -0.31 0.00 0.00 175.10 173.52 3kqx s GLU 422 N -3.19 1.65 -0.11 4.82 2.12 -0.18 -1.02 118.70 122.79 3kqx s GLU 422 Ca 0.17 -0.31 0.02 0.00 0.36 0.00 0.00 54.97 55.21 3kqx s GLU 422 Cb -0.03 -1.64 -0.01 0.00 0.26 0.00 0.00 34.13 32.71 3kqx s GLU 422 CO 0.06 -0.24 -0.19 0.42 -0.54 0.00 0.00 175.26 174.77 3kqx s ILE 423 N 1.58 2.50 -0.19 -3.70 -1.09 -0.18 -1.19 121.20 118.93 3kqx s ILE 423 Ca 0.03 -0.86 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 3kqx s ILE 423 Cb -0.13 -2.00 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 3kqx s ILE 423 CO -0.07 0.54 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.16 3kqx s HIS 424 N 0.36 3.02 -0.32 3.97 3.76 0.13 -0.80 115.29 125.40 3kqx s HIS 424 Ca -0.15 -0.46 -0.10 0.00 -0.15 0.00 0.00 55.06 54.20 3kqx s HIS 424 Cb -0.17 -2.04 0.00 0.00 1.11 0.00 0.00 32.58 31.48 3kqx s HIS 424 CO 0.07 -0.21 0.16 -0.06 -0.85 0.00 0.00 174.74 173.86 3kqx s PHE 425 N 0.84 3.19 0.02 1.40 0.08 -0.13 -0.28 117.98 123.10 3kqx s PHE 425 Ca -0.00 -0.67 0.06 0.00 0.12 0.00 0.00 56.93 56.44 3kqx s PHE 425 Cb -0.14 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 39.92 3kqx s PHE 425 CO 0.02 -0.50 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.95 3kqx s LEU 426 N 1.60 2.13 -0.24 -0.37 1.43 -0.15 -1.15 118.68 121.92 3kqx s LEU 426 Ca 0.04 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 3kqx s LEU 426 Cb -0.17 -0.86 0.07 0.00 0.03 0.00 0.00 46.19 45.25 3kqx s LEU 426 CO 0.06 0.15 0.60 -0.55 0.23 0.00 0.00 176.35 176.84 3kqx s SER 427 N -0.92 -0.77 -0.95 2.29 0.15 -0.45 -1.61 113.70 111.44 3kqx s SER 427 Ca 0.06 1.29 -0.18 0.00 0.70 0.00 0.00 55.95 57.82 3kqx s SER 427 Cb -0.08 1.20 0.13 0.00 -1.71 0.00 0.00 66.02 65.56 3kqx s SER 427 CO 0.01 -0.22 1.16 0.00 1.20 0.00 0.00 173.24 175.38 3kqx s ALA 428 N 1.29 3.41 0.03 5.45 0.00 -1.26 -0.77 121.76 129.90 3kqx s ALA 428 Ca -0.08 -2.81 -0.24 0.00 0.00 0.00 0.00 51.96 48.84 3kqx s ALA 428 Cb -0.06 -4.07 -0.05 0.00 0.00 0.00 0.00 23.12 18.94 3kqx s ALA 428 CO -0.13 -2.98 0.71 0.08 0.00 0.00 0.00 175.76 173.44 3kqx s VAL 429 N 2.64 4.78 0.35 0.00 1.01 -0.48 -4.24 120.40 124.45 3kqx s VAL 429 Ca 0.34 1.51 -0.17 0.00 0.00 0.00 0.00 61.98 63.66 3kqx s VAL 429 Cb -0.04 -4.06 0.05 0.00 0.00 0.00 0.00 36.38 32.33 3kqx s VAL 429 CO -0.09 0.38 0.82 0.00 0.00 0.00 0.00 175.10 176.21 3kqx s GLU 431 N -2.48 1.57 -0.55 0.00 2.12 -1.26 -1.20 118.70 116.89 3kqx s GLU 431 Ca 0.16 -0.55 -0.17 0.00 0.36 0.00 0.00 54.97 54.77 3kqx s GLU 431 Cb -0.05 -1.39 0.12 0.00 0.26 0.00 0.00 34.13 33.07 3kqx s GLU 431 CO 0.10 0.24 0.55 1.21 -0.54 0.00 0.00 175.26 176.82 3kqx s ASN 432 N 0.01 6.19 0.33 -1.70 2.47 -0.18 -4.41 114.94 117.64 3kqx s ASN 432 Ca -0.02 -1.67 0.07 0.00 0.42 0.00 0.00 52.86 51.66 3kqx s ASN 432 Cb -0.10 -2.24 -0.07 0.00 -1.45 0.00 0.00 41.25 37.40 3kqx s ASN 432 CO 0.01 -0.92 -0.04 -0.04 -3.72 0.00 0.00 177.10 172.40 3kqx s MET 433 N 1.91 1.72 -0.15 0.43 -1.94 -1.26 -1.92 119.30 118.09 3kqx s MET 433 Ca 0.05 -1.91 -0.06 0.00 -1.71 0.00 0.00 55.69 52.06 3kqx s MET 433 Cb -0.28 -1.36 -0.04 0.00 2.01 0.00 0.00 34.83 35.17 3kqx s MET 433 CO 0.04 0.01 0.05 0.08 -0.01 0.00 0.00 175.02 175.19 3kqx s VAL 434 N -2.89 4.72 0.04 -6.03 1.01 -1.26 -4.59 120.40 111.41 3kqx s VAL 434 Ca 0.33 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.95 3kqx s VAL 434 Cb 0.05 -3.08 0.09 0.00 0.00 0.00 0.00 36.38 33.44 3kqx s VAL 434 CO 0.15 0.51 1.06 -0.55 0.00 0.00 0.00 175.10 176.27 3kqx s SER 435 N -0.07 -0.17 0.46 3.32 0.15 -1.26 -4.98 113.70 111.15 3kqx s SER 435 Ca 0.06 -0.22 0.31 0.00 0.70 0.00 0.00 55.95 56.81 3kqx s SER 435 Cb -0.12 0.35 1.45 0.00 -1.71 0.00 0.00 66.02 65.99 3kqx s SER 435 CO 0.01 -0.62 1.94 0.07 1.20 0.00 0.00 173.24 175.84 3kqx h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.98 -3.04 116.57 121.08 3kqx h LYS 436 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3kqx h LYS 436 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3kqx h LYS 436 CO 0.27 0.00 -0.65 0.09 -2.00 0.00 0.00 179.45 177.16 3kqx n ASN 437 N -2.73 1.69 -4.73 7.07 5.03 -1.26 -5.00 115.26 115.33 3kqx n ASN 437 Ca -0.00 -1.35 -0.36 0.00 0.87 0.00 0.00 54.58 53.74 3kqx n ASN 437 Cb 0.20 0.65 0.07 0.00 -1.02 0.00 0.00 39.78 39.67 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 -2.65 4.63 0.94 6.41 0.01 -1.15 -3.89 113.70 118.00 3kqx s SER 438 Ca 0.15 2.54 -0.11 0.00 1.31 0.00 0.00 55.95 59.84 3kqx s SER 438 Cb 0.17 -2.61 0.16 0.00 0.21 0.00 0.00 66.02 63.95 3kqx s SER 438 CO 0.67 -1.98 1.11 -0.72 0.41 0.00 0.00 173.24 172.72 3kqx s TYR 439 N -1.52 1.84 0.10 2.43 1.13 -1.26 -4.88 117.35 115.18 3kqx s TYR 439 Ca 0.80 1.55 0.07 0.00 -1.41 0.00 0.00 57.07 58.09 3kqx s TYR 439 Cb -0.35 -3.22 -0.03 0.00 -1.10 0.00 0.00 41.96 37.26 3kqx s TYR 439 CO 0.39 -2.78 -0.18 1.03 -2.51 0.00 0.00 175.55 171.50 3kqx s ARG 440 N -4.70 1.04 0.28 -3.49 0.52 -1.26 -4.64 118.95 106.71 3kqx s ARG 440 Ca 0.66 -1.15 -0.30 0.00 -0.52 0.00 0.00 55.73 54.42 3kqx s ARG 440 Cb -0.21 -1.15 -0.13 0.00 0.52 0.00 0.00 34.95 33.98 3kqx s ARG 440 CO 0.59 0.25 1.44 -2.30 0.02 0.00 0.00 175.30 175.30 3kqx n PRO 441 N 0.95 2.28 0.00 3.54 -0.02 -1.26 -1.16 135.00 139.33 3kqx n PRO 441 Ca -0.19 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 3kqx n PRO 441 Cb 0.55 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 1.80 3.15 3.76 -1.23 0.00 0.28 -5.01 105.19 107.93 3kqx n GLY 442 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.11 5.55 -0.22 1.61 1.01 -0.31 -4.53 116.67 118.67 3kqx s ASP 443 Ca 0.00 2.79 -0.06 0.00 0.71 0.00 0.00 52.55 55.99 3kqx s ASP 443 Cb 0.00 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 3kqx s ASP 443 CO 0.00 -1.38 0.03 -0.63 0.21 0.00 0.00 175.17 173.40 3kqx s ILE 444 N -1.28 4.13 0.19 0.77 1.01 -1.26 -0.71 121.20 124.05 3kqx s ILE 444 Ca 0.67 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 61.17 3kqx s ILE 444 Cb -0.41 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 3kqx s ILE 444 CO 0.50 0.39 -0.19 0.27 0.00 0.00 0.00 174.94 175.91 3kqx s ILE 445 N 1.25 1.96 -0.24 2.92 -4.36 -0.54 -4.93 121.20 117.25 3kqx s ILE 445 Ca 0.04 -2.03 -0.00 0.00 -0.26 0.00 0.00 60.65 58.40 3kqx s ILE 445 Cb -0.15 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.64 3kqx s ILE 445 CO 0.02 -0.33 -0.09 -0.89 0.24 0.00 0.00 174.94 173.88 3kqx s THR 446 N -2.17 2.59 0.93 8.37 2.01 -1.26 -0.14 115.64 125.96 3kqx s THR 446 Ca 0.19 -1.15 -0.11 0.00 0.31 0.00 0.00 61.69 60.92 3kqx s THR 446 Cb -0.05 -2.33 0.15 0.00 0.01 0.00 0.00 72.50 70.28 3kqx s THR 446 CO 0.08 0.20 1.09 0.00 -0.69 0.00 0.00 174.62 175.30 3kqx s ALA 447 N 1.27 1.31 0.41 7.40 0.00 -0.37 -2.27 121.76 129.51 3kqx s ALA 447 Ca -0.01 0.07 0.38 0.00 0.00 0.00 0.00 51.96 52.41 3kqx s ALA 447 Cb -0.17 -3.25 1.90 0.00 0.00 0.00 0.00 23.12 21.60 3kqx s ALA 447 CO -0.06 -2.58 2.19 0.66 0.00 0.00 0.00 175.76 175.96 3kqx h SER 448 N -1.72 0.00 -0.27 0.00 4.64 -1.80 0.72 113.55 115.12 3kqx h SER 448 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3kqx h SER 448 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kqx h SER 448 CO 0.51 0.01 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 3kqx n ASN 449 N -3.15 1.69 0.00 4.97 6.94 -1.26 -4.92 115.26 119.53 3kqx n ASN 449 Ca -0.01 -2.06 0.00 0.00 -0.02 0.00 0.00 54.58 52.49 3kqx n ASN 449 Cb 0.18 -0.25 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 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 0.82 1.37 3.70 4.83 0.00 0.25 -5.05 105.19 111.11 3kqx n GLY 450 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.30 4.39 0.18 1.61 1.02 -1.26 -4.79 119.74 120.59 3kqx s LYS 451 Ca 0.00 1.72 -0.25 0.00 0.02 0.00 0.00 55.97 57.46 3kqx s LYS 451 Cb 0.00 -3.47 -0.08 0.00 -0.52 0.00 0.00 37.83 33.76 3kqx s LYS 451 CO 0.00 -0.36 0.78 0.95 -0.92 0.00 0.00 175.35 175.80 3kqx s THR 452 N 1.72 4.38 -0.09 2.17 -4.23 -1.26 -1.24 115.64 117.09 3kqx s THR 452 Ca 0.57 1.66 0.02 0.00 -1.18 0.00 0.00 61.69 62.76 3kqx s THR 452 Cb -0.27 -4.10 0.01 0.00 1.34 0.00 0.00 72.50 69.48 3kqx s THR 452 CO 0.25 0.47 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.04 3kqx s ILE 453 N -1.21 1.31 -0.25 2.99 1.01 0.80 -2.06 121.20 123.80 3kqx s ILE 453 Ca 0.37 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.28 3kqx s ILE 453 Cb -0.22 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 3kqx s ILE 453 CO 0.26 0.40 0.60 -0.70 0.00 0.00 0.00 174.94 175.50 3kqx s GLU 454 N 0.91 4.12 -0.31 2.79 2.12 -0.31 -1.46 118.70 126.55 3kqx s GLU 454 Ca -0.09 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.45 3kqx s GLU 454 Cb -0.15 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.62 3kqx s GLU 454 CO 0.00 -0.37 1.07 0.08 -0.54 0.00 0.00 175.26 175.51 3kqx s VAL 455 N 2.36 4.52 -0.27 3.70 1.01 0.12 -1.64 120.40 130.19 3kqx s VAL 455 Ca 0.25 1.75 0.22 0.00 0.00 0.00 0.00 61.98 64.21 3kqx s VAL 455 Cb -0.16 -4.41 -0.20 0.00 0.00 0.00 0.00 36.38 31.61 3kqx s VAL 455 CO 0.09 -0.46 0.76 0.61 0.00 0.00 0.00 175.10 176.10 3kqx n GLY 456 N 3.84 -1.16 3.53 4.51 0.00 -1.26 0.10 105.19 114.76 3kqx n GLY 456 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.49 -0.88 0.02 1.61 3.84 -1.26 -4.70 114.94 109.09 3kqx s ASN 457 Ca -0.03 1.21 0.23 0.00 0.21 0.00 0.00 52.86 54.48 3kqx s ASN 457 Cb 0.13 1.99 0.96 0.00 -0.55 0.00 0.00 41.25 43.77 3kqx s ASN 457 CO 0.86 -0.17 1.72 0.35 -2.79 0.00 0.00 177.10 177.07 3kqx n THR 458 N 5.20 0.47 1.10 -5.21 -2.24 -1.26 -2.07 114.28 110.27 3kqx n THR 458 Ca -0.11 0.10 0.07 0.00 -2.27 0.00 0.00 64.05 61.85 3kqx n THR 458 Cb 0.51 -0.73 0.24 0.00 -2.10 0.00 0.00 70.33 68.24 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 -1.55 1.64 -2.84 3.42 2.03 -0.97 -3.53 116.55 114.74 3kqx n ASP 459 Ca 0.05 -1.88 -0.38 0.00 0.52 0.00 0.00 54.79 53.10 3kqx n ASP 459 Cb 0.27 -0.17 0.04 0.00 -0.72 0.00 0.00 41.12 40.54 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 0.36 6.37 0.13 -1.67 0.00 -0.88 -4.71 120.51 120.11 3kqx n ALA 460 Ca 0.13 -4.11 0.02 0.00 0.00 0.00 0.00 53.44 49.48 3kqx n ALA 460 Cb 0.28 -1.84 0.02 0.00 0.00 0.00 0.00 19.45 17.92 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 2.91 0.00 -0.63 0.00 9.09 -1.80 -3.33 114.58 120.82 3kqx h GLU 461 Ca 0.54 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.89 3kqx h GLU 461 Cb 0.16 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.23 3kqx h GLU 461 CO 1.39 0.54 0.13 0.78 0.05 0.00 0.00 179.01 181.89 3kqx h GLY 462 N 3.41 1.11 2.00 1.06 0.00 -1.91 -1.92 103.07 106.82 3kqx h GLY 462 Ca -0.01 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 3kqx h GLY 462 CO 0.07 0.67 -0.36 0.07 0.00 0.00 0.00 176.54 176.98 3kqx h ARG 463 N 0.95 0.00 -0.06 4.80 0.11 -1.95 -1.29 114.38 116.94 3kqx h ARG 463 Ca 0.20 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.26 3kqx h ARG 463 Cb 0.39 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 3kqx h ARG 463 CO 0.01 0.36 -0.04 -0.07 0.10 0.00 0.00 179.97 180.32 3kqx h LEU 464 N 0.00 0.14 -0.75 0.08 3.38 -1.59 0.89 115.31 117.45 3kqx h LEU 464 Ca -0.00 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.46 3kqx h LEU 464 Cb 0.65 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3kqx h LEU 464 CO 0.05 0.57 0.28 0.71 0.09 0.00 0.00 178.44 180.13 3kqx h THR 465 N -0.29 1.26 -0.34 0.22 1.35 -1.21 -2.60 112.91 111.30 3kqx h THR 465 Ca 0.01 -0.84 -0.04 0.00 -0.55 0.00 0.00 66.41 64.99 3kqx h THR 465 Cb 0.52 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 3kqx h THR 465 CO 0.01 0.34 0.04 -0.07 -0.25 0.00 0.00 175.52 175.59 3kqx h LEU 466 N 1.10 0.47 -0.56 3.87 3.38 -1.25 -2.20 115.31 120.13 3kqx h LEU 466 Ca 0.25 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3kqx h LEU 466 Cb 0.25 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3kqx h LEU 466 CO -0.02 0.51 0.31 0.00 0.09 0.00 0.00 178.44 179.34 3kqx h ALA 467 N 1.55 0.72 0.02 1.53 0.00 -0.41 0.37 119.26 123.04 3kqx h ALA 467 Ca 0.11 0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 3kqx h ALA 467 Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3kqx h ALA 467 CO 0.00 -0.01 -0.93 -0.44 0.00 0.00 0.00 179.25 177.87 3kqx h ASP 468 N 0.60 0.13 -0.33 0.00 3.32 -1.46 -2.56 116.42 116.11 3kqx h ASP 468 Ca 0.24 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3kqx h ASP 468 Cb 0.10 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3kqx h ASP 468 CO -0.14 0.99 0.05 0.00 -1.72 0.00 0.00 179.24 178.42 3kqx h ALA 469 N 1.00 1.31 -0.10 3.45 0.00 -0.88 -1.84 119.26 122.19 3kqx h ALA 469 Ca -0.03 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 3kqx h ALA 469 Cb 1.61 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 3kqx h ALA 469 CO 0.13 0.48 -0.73 -0.07 0.00 0.00 0.00 179.25 179.06 3kqx h LEU 470 N 0.62 0.60 -0.35 0.00 3.38 -0.81 0.82 115.31 119.57 3kqx h LEU 470 Ca 0.13 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3kqx h LEU 470 Cb 0.32 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3kqx h LEU 470 CO 0.01 1.14 0.05 0.58 0.09 0.00 0.00 178.44 180.31 3kqx h VAL 471 N 0.35 1.24 -0.15 1.22 2.07 -1.31 -0.38 116.25 119.29 3kqx h VAL 471 Ca -0.03 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3kqx h VAL 471 Cb 1.31 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 3kqx h VAL 471 CO 0.13 0.28 0.07 0.22 0.02 0.00 0.00 177.57 178.29 3kqx h TYR 472 N 0.41 0.12 -0.51 1.57 3.20 -1.21 -2.35 116.97 118.21 3kqx h TYR 472 Ca 0.11 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.01 3kqx h TYR 472 Cb 0.36 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3kqx h TYR 472 CO 0.02 0.07 0.30 0.00 -1.64 0.00 0.00 178.16 176.92 3kqx h ALA 473 N 1.08 0.65 -0.92 1.82 0.00 -0.65 -2.62 119.26 118.62 3kqx h ALA 473 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3kqx h ALA 473 Cb 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.61 3kqx h ALA 473 CO -0.05 0.00 0.60 1.49 0.00 0.00 0.00 179.25 181.29 3kqx h GLU 474 N 0.60 1.04 0.00 0.00 4.81 -0.86 -2.06 114.58 118.11 3kqx h GLU 474 Ca 0.20 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3kqx h GLU 474 Cb 0.02 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3kqx h GLU 474 CO -0.09 0.69 -0.05 0.87 -0.73 0.00 0.00 179.01 179.70 3kqx h LYS 475 N 1.07 0.00 0.00 1.92 1.57 -1.05 -1.82 116.57 118.27 3kqx h LYS 475 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3kqx h LYS 475 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3kqx h LYS 475 CO -0.14 0.05 0.00 -0.07 -0.57 0.00 0.00 179.45 178.72 3kqx h LEU 476 N 0.00 0.00 -2.30 2.94 3.38 -1.18 -3.47 115.31 114.68 3kqx h LEU 476 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3kqx h LEU 476 Cb 0.38 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.21 3kqx h LEU 476 CO 0.01 0.00 -0.35 0.61 0.09 0.00 0.00 178.44 178.80 3kqx n GLY 477 N -0.58 0.07 3.93 0.83 0.00 -0.68 -5.05 105.19 103.70 3kqx n GLY 477 Ca -0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.16 4.93 0.07 1.61 0.11 -1.26 -4.96 120.40 117.73 3kqx s VAL 478 Ca 0.10 -1.11 0.02 0.00 -2.93 0.00 0.00 61.98 58.05 3kqx s VAL 478 Cb -0.01 -3.70 -0.25 0.00 -1.53 0.00 0.00 36.38 30.89 3kqx s VAL 478 CO 0.31 -0.32 1.09 0.44 -3.33 0.00 0.00 175.10 173.29 3kqx h ASP 479 N 1.24 0.23 -3.83 3.54 3.32 -1.08 -3.47 116.42 116.36 3kqx h ASP 479 Ca -0.51 -0.27 -0.27 0.00 0.02 0.00 0.00 57.03 56.00 3kqx h ASP 479 Cb 1.23 -0.07 -0.28 0.00 0.22 0.00 0.00 39.33 40.43 3kqx h ASP 479 CO 0.60 1.21 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.29 3kqx s TYR 480 N -2.66 0.23 -0.09 4.55 2.02 -1.10 -4.03 117.35 116.27 3kqx s TYR 480 Ca -0.03 -0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.66 3kqx s TYR 480 Cb 0.08 -0.15 -0.00 0.00 -0.40 0.00 0.00 41.96 41.49 3kqx s TYR 480 CO 0.85 -0.01 -0.24 0.42 -1.57 0.00 0.00 175.55 175.00 3kqx s ILE 481 N -0.08 2.08 -0.12 2.71 1.01 -0.67 -1.01 121.20 125.11 3kqx s ILE 481 Ca 0.01 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.63 3kqx s ILE 481 Cb -0.01 -1.77 0.02 0.00 0.01 0.00 0.00 42.46 40.71 3kqx s ILE 481 CO -0.00 0.56 -0.09 -0.69 0.00 0.00 0.00 174.94 174.72 3kqx s VAL 482 N 0.16 1.14 0.12 2.92 1.01 -0.00 -1.46 120.40 124.29 3kqx s VAL 482 Ca -0.13 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3kqx s VAL 482 Cb -0.16 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3kqx s VAL 482 CO 0.07 0.39 0.24 1.51 0.00 0.00 0.00 175.10 177.31 3kqx s ASP 483 N 1.62 6.27 -0.03 3.32 1.47 -0.28 -0.88 116.67 128.16 3kqx s ASP 483 Ca 0.04 0.18 0.00 0.00 1.18 0.00 0.00 52.55 53.96 3kqx s ASP 483 Cb -0.13 -1.89 0.03 0.00 -0.34 0.00 0.00 42.92 40.59 3kqx s ASP 483 CO -0.08 0.10 0.01 -0.51 0.68 0.00 0.00 175.17 175.37 3kqx s ILE 484 N -1.65 0.09 -0.25 2.11 2.07 0.23 -0.47 121.20 123.33 3kqx s ILE 484 Ca 0.34 0.14 -0.22 0.00 -1.41 0.00 0.00 60.65 59.51 3kqx s ILE 484 Cb -0.12 -0.21 0.07 0.00 0.13 0.00 0.00 42.46 42.33 3kqx s ILE 484 CO 0.28 0.13 0.66 0.00 -1.91 0.00 0.00 174.94 174.10 3kqx s ALA 485 N 1.08 -1.66 -1.45 1.50 0.00 -0.63 -1.16 121.76 119.44 3kqx s ALA 485 Ca -0.09 1.94 -0.14 0.00 0.00 0.00 0.00 51.96 53.67 3kqx s ALA 485 Cb -0.13 -1.13 0.03 0.00 0.00 0.00 0.00 23.12 21.89 3kqx s ALA 485 CO -0.02 -0.32 2.25 0.25 0.00 0.00 0.00 175.76 177.91 3kqx n THR 486 N 2.99 3.45 -0.10 0.00 -2.24 -1.26 -0.03 114.28 117.09 3kqx n THR 486 Ca -0.15 -2.97 -0.22 0.00 -2.27 0.00 0.00 64.05 58.43 3kqx n THR 486 Cb 0.56 -2.60 -0.12 0.00 -2.10 0.00 0.00 70.33 66.07 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 6.05 1.93 -3.99 3.22 7.94 -1.26 -4.72 117.00 126.16 3kqx n LEU 487 Ca 0.53 0.40 -0.24 0.00 -1.11 0.00 0.00 56.01 55.58 3kqx n LEU 487 Cb 0.39 -0.97 -0.17 0.00 0.53 0.00 0.00 43.42 43.20 3kqx n LEU 487 CO 0.90 0.35 -0.46 0.42 -1.11 0.00 0.00 177.39 177.49 3kqx s THR 488 N -2.39 1.06 0.62 1.96 -4.23 -1.26 -4.97 115.64 106.42 3kqx s THR 488 Ca -0.29 -0.42 0.35 0.00 -1.18 0.00 0.00 61.69 60.15 3kqx s THR 488 Cb 0.07 -0.99 0.39 0.00 1.34 0.00 0.00 72.50 73.30 3kqx s THR 488 CO 0.60 0.34 2.29 1.23 -0.54 0.00 0.00 174.62 178.54 3kqx h GLY 489 N 7.15 0.00 1.39 3.99 0.00 -1.93 -2.27 103.07 111.40 3kqx h GLY 489 Ca -0.31 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.06 3kqx h GLY 489 CO 0.47 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.27 3kqx h ALA 490 N 1.98 1.63 -0.59 3.60 0.00 -1.96 -1.55 119.26 122.36 3kqx h ALA 490 Ca 0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kqx h ALA 490 Cb 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3kqx h ALA 490 CO -0.00 -0.34 0.40 0.52 0.00 0.00 0.00 179.25 179.83 3kqx h MET 491 N 0.00 0.42 0.00 0.00 2.86 -1.80 -0.90 114.93 115.51 3kqx h MET 491 Ca 0.07 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3kqx h MET 491 Cb 0.59 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3kqx h MET 491 CO -0.00 0.28 -0.06 -0.07 1.06 0.00 0.00 176.91 178.11 3kqx h LEU 492 N 0.43 0.00 0.00 1.22 3.38 -1.50 -0.16 115.31 118.69 3kqx h LEU 492 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3kqx h LEU 492 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3kqx h LEU 492 CO -0.08 0.06 -1.17 -1.22 0.09 0.00 0.00 178.44 176.12 3kqx n TYR 493 N -3.74 0.18 -0.06 1.13 4.02 -0.39 -3.50 117.16 114.80 3kqx n TYR 493 Ca -0.02 0.05 -0.07 0.00 -0.01 0.00 0.00 57.90 57.85 3kqx n TYR 493 Cb 0.16 -0.37 -0.02 0.00 -0.02 0.00 0.00 39.34 39.09 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 -1.93 1.48 -0.05 7.72 3.41 -0.85 -4.83 113.62 118.58 3kqx n SER 494 Ca 0.01 0.25 -0.01 0.00 -0.26 0.00 0.00 58.87 58.87 3kqx n SER 494 Cb 0.44 -0.65 -0.15 0.00 -0.26 0.00 0.00 64.21 63.58 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 -3.99 0.00 0.00 1.04 4.77 -0.55 -5.10 117.00 113.17 3kqx n LEU 495 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 3kqx n LEU 495 Cb 0.38 0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3kqx n LEU 495 CO 0.15 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3kqx n GLY 496 N 1.65 0.15 0.24 -0.72 0.00 -0.18 -4.31 105.19 102.02 3kqx n GLY 496 Ca -0.18 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.12 2.61 -2.24 -1.26 -4.31 114.28 108.96 3kqx n THR 497 Ca 0.00 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.40 3kqx n THR 497 Cb 0.00 0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.66 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 -0.72 1.91 -4.39 3.42 7.64 -1.26 -4.37 113.62 115.84 3kqx n SER 498 Ca 0.10 0.38 -0.33 0.00 1.01 0.00 0.00 58.87 60.03 3kqx n SER 498 Cb 0.36 -0.89 -0.14 0.00 -1.01 0.00 0.00 64.21 62.53 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 -2.44 2.73 0.62 1.43 4.12 -1.26 -4.65 117.35 117.91 3kqx s TYR 499 Ca -0.34 -0.52 -0.11 0.00 0.02 0.00 0.00 57.07 56.13 3kqx s TYR 499 Cb 0.10 -1.75 -0.04 0.00 -1.52 0.00 0.00 41.96 38.76 3kqx s TYR 499 CO 0.54 -0.10 1.03 0.00 0.02 0.00 0.00 175.55 177.05 3kqx s ALA 500 N -0.04 3.06 -0.10 3.71 0.00 -0.71 -4.60 121.76 123.08 3kqx s ALA 500 Ca -0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 3kqx s ALA 500 Cb -0.14 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3kqx s ALA 500 CO 0.04 -0.73 0.08 0.20 0.00 0.00 0.00 175.76 175.35 3kqx s GLY 501 N -4.11 2.03 -0.10 0.00 0.00 -1.10 -0.89 107.32 103.15 3kqx s GLY 501 Ca 0.55 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.58 3kqx s GLY 501 CO 0.53 -0.47 -0.17 0.54 0.00 0.00 0.00 173.10 173.54 3kqx s VAL 502 N -0.97 2.77 0.11 1.40 0.11 -0.41 -1.13 120.40 122.29 3kqx s VAL 502 Ca 0.14 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.48 3kqx s VAL 502 Cb -0.12 -2.11 -0.04 0.00 -1.53 0.00 0.00 36.38 32.58 3kqx s VAL 502 CO 0.03 0.55 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.81 3kqx s PHE 503 N 0.02 1.64 0.10 1.54 0.08 -0.16 -0.98 117.98 120.23 3kqx s PHE 503 Ca -0.06 -0.46 -0.26 0.00 0.12 0.00 0.00 56.93 56.28 3kqx s PHE 503 Cb -0.15 -0.88 0.09 0.00 -0.57 0.00 0.00 43.02 41.51 3kqx s PHE 503 CO 0.05 0.20 1.10 0.20 -0.10 0.00 0.00 175.22 176.67 3kqx s GLY 504 N -2.12 -0.16 -0.00 4.36 0.00 -1.26 -0.42 107.32 107.72 3kqx s GLY 504 Ca 0.07 0.12 0.16 0.00 0.00 0.00 0.00 44.72 45.06 3kqx s GLY 504 CO 0.04 1.39 1.37 1.16 0.00 0.00 0.00 173.10 177.07 3kqx n ASN 505 N -0.77 3.37 -3.65 1.64 0.23 -0.70 -4.80 115.26 110.57 3kqx n ASN 505 Ca -0.05 -2.01 -0.11 0.00 -0.53 0.00 0.00 54.58 51.88 3kqx n ASN 505 Cb 0.61 -0.34 -0.11 0.00 -2.08 0.00 0.00 39.78 37.85 3kqx n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqx s ASN 506 N -1.01 0.02 0.20 0.53 3.84 -1.26 -4.87 114.94 112.39 3kqx s ASN 506 Ca 0.34 0.80 -0.04 0.00 0.21 0.00 0.00 52.86 54.17 3kqx s ASN 506 Cb 0.18 1.07 0.14 0.00 -0.55 0.00 0.00 41.25 42.09 3kqx s ASN 506 CO 0.23 -0.24 1.55 -0.08 -2.79 0.00 0.00 177.10 175.77 3kqx h GLU 507 N 8.22 0.64 -0.58 0.43 4.81 -1.96 -1.89 114.58 124.24 3kqx h GLU 507 Ca -0.15 -0.35 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3kqx h GLU 507 Cb 1.11 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3kqx h GLU 507 CO 0.13 0.95 0.26 0.93 -0.73 0.00 0.00 179.01 180.55 3kqx h GLU 508 N 0.51 0.86 -0.41 1.92 3.07 -1.99 -0.35 114.58 118.20 3kqx h GLU 508 Ca 0.04 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.73 3kqx h GLU 508 Cb 0.97 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.72 3kqx h GLU 508 CO 0.09 0.71 0.15 1.25 -1.40 0.00 0.00 179.01 179.81 3kqx h LEU 509 N 0.80 0.58 -0.76 1.33 5.85 -1.92 -1.66 115.31 119.53 3kqx h LEU 509 Ca 0.20 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3kqx h LEU 509 Cb 0.16 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3kqx h LEU 509 CO -0.02 0.61 0.47 0.40 -0.34 0.00 0.00 178.44 179.56 3kqx h ILE 510 N 0.52 1.08 -0.40 4.05 2.04 -1.13 -0.64 117.51 123.03 3kqx h ILE 510 Ca 0.13 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3kqx h ILE 510 Cb 0.23 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3kqx h ILE 510 CO -0.01 0.17 -0.17 0.78 0.00 0.00 0.00 178.15 178.91 3kqx h ASN 511 N 0.91 0.77 -0.73 1.72 2.35 -0.68 0.32 115.58 120.23 3kqx h ASN 511 Ca 0.31 -0.26 0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3kqx h ASN 511 Cb 0.07 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.18 3kqx h ASN 511 CO -0.13 0.94 0.45 0.11 -1.65 0.00 0.00 177.43 177.15 3kqx h LYS 512 N 0.68 0.84 -0.56 0.81 1.57 -0.89 -0.21 116.57 118.80 3kqx h LYS 512 Ca 0.10 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3kqx h LYS 512 Cb 0.67 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 3kqx h LYS 512 CO 0.05 0.55 0.23 0.82 -0.57 0.00 0.00 179.45 180.53 3kqx h ILE 513 N 0.86 1.22 -0.49 1.86 2.04 -0.18 -1.00 117.51 121.82 3kqx h ILE 513 Ca 0.30 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3kqx h ILE 513 Cb 0.07 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3kqx h ILE 513 CO -0.13 0.27 0.11 -0.07 0.00 0.00 0.00 178.15 178.33 3kqx h LEU 514 N 0.77 0.75 -0.78 1.44 3.38 -0.73 0.22 115.31 120.36 3kqx h LEU 514 Ca 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3kqx h LEU 514 Cb 0.20 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 3kqx h LEU 514 CO -0.02 0.79 0.37 1.56 0.09 0.00 0.00 178.44 181.23 3kqx h GLN 515 N 0.67 1.12 -0.27 1.13 4.20 -0.95 -2.01 115.11 119.01 3kqx h GLN 515 Ca 0.15 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 3kqx h GLN 515 Cb 0.34 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 3kqx h GLN 515 CO 0.00 0.87 -0.02 0.77 -0.67 0.00 0.00 178.83 179.78 3kqx h SER 516 N 1.10 0.38 -0.68 1.46 0.02 -0.50 -1.88 113.55 113.46 3kqx h SER 516 Ca 0.27 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 3kqx h SER 516 Cb 0.12 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 3kqx h SER 516 CO -0.03 0.47 0.39 -1.28 -1.14 0.00 0.00 176.83 175.23 3kqx h SER 517 N 0.40 0.58 -0.35 3.07 0.87 -0.17 -0.70 113.55 117.26 3kqx h SER 517 Ca 0.09 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 3kqx h SER 517 Cb 0.31 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3kqx h SER 517 CO 0.01 0.38 -0.08 0.11 -0.53 0.00 0.00 176.83 176.71 3kqx h LYS 518 N 0.71 0.67 0.00 2.24 6.56 -0.64 -1.53 116.57 124.58 3kqx h LYS 518 Ca 0.30 -0.26 -0.12 0.00 -1.06 0.00 0.00 60.65 59.52 3kqx h LYS 518 Cb 0.17 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.78 3kqx h LYS 518 CO -0.18 0.83 -0.59 1.79 -2.06 0.00 0.00 179.45 179.25 3kqx h THR 519 N 0.46 0.94 0.00 -0.16 1.35 -1.32 -3.19 112.91 110.98 3kqx h THR 519 Ca 0.09 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 3kqx h THR 519 Cb 0.58 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3kqx h THR 519 CO 0.03 0.54 -0.29 0.77 -0.25 0.00 0.00 175.52 176.32 3kqx h SER 520 N 0.00 0.00 -2.55 5.36 4.64 -1.14 -3.46 113.55 116.40 3kqx h SER 520 Ca -0.01 -0.02 -0.41 0.00 -0.47 0.00 0.00 61.79 60.88 3kqx h SER 520 Cb 1.43 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.48 3kqx h SER 520 CO 0.07 0.01 -0.50 0.59 -0.87 0.00 0.00 176.83 176.14 3kqx n ASN 521 N -2.79 -5.73 -4.23 4.97 3.02 -0.59 -4.87 115.26 105.04 3kqx n ASN 521 Ca 0.03 0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 3kqx n ASN 521 Cb 0.51 -4.80 -0.11 0.00 -0.61 0.00 0.00 39.78 34.77 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 -4.78 2.47 0.13 3.52 2.02 -1.15 -4.88 118.70 116.03 3kqx s GLU 522 Ca 0.00 -1.45 -0.30 0.00 0.02 0.00 0.00 54.97 53.23 3kqx s GLU 522 Cb 0.00 -3.61 -0.07 0.00 0.10 0.00 0.00 34.13 30.55 3kqx s GLU 522 CO 0.00 -0.88 1.10 -1.25 0.02 0.00 0.00 175.26 174.25 3kqx s PRO 523 N 1.35 4.56 0.03 0.39 0.05 -1.26 -4.52 135.00 135.59 3kqx s PRO 523 Ca 0.02 1.68 0.02 0.00 0.05 0.00 0.00 61.00 62.77 3kqx s PRO 523 Cb -0.22 -3.32 -0.02 0.00 0.05 0.00 0.00 34.50 30.99 3kqx s PRO 523 CO 0.01 -0.01 -0.07 0.08 0.05 0.00 0.00 177.00 177.05 3kqx s VAL 524 N 0.24 0.47 -0.01 -0.36 1.01 -1.26 -1.74 120.40 118.74 3kqx s VAL 524 Ca 0.52 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3kqx s VAL 524 Cb -0.28 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3kqx s VAL 524 CO 0.32 -0.30 -0.10 0.86 0.00 0.00 0.00 175.10 175.88 3kqx s TRP 525 N -1.13 0.94 -0.11 5.22 -0.11 -0.07 -4.91 118.94 118.76 3kqx s TRP 525 Ca -0.08 -0.18 -0.30 0.00 1.22 0.00 0.00 56.10 56.76 3kqx s TRP 525 Cb -0.08 -0.61 -0.02 0.00 -1.50 0.00 0.00 33.47 31.26 3kqx s TRP 525 CO 0.00 -0.02 1.11 -0.46 -4.62 0.00 0.00 176.95 172.96 3kqx s TRP 526 N -0.21 3.30 0.16 5.86 -0.00 -1.26 -1.28 118.94 125.50 3kqx s TRP 526 Ca 0.04 1.38 0.09 0.00 -0.00 0.00 0.00 56.10 57.60 3kqx s TRP 526 Cb -0.04 -3.32 -0.04 0.00 -0.00 0.00 0.00 33.47 30.07 3kqx s TRP 526 CO -0.00 -0.81 -0.14 -0.51 -0.00 0.00 0.00 176.95 175.49 3kqx s LEU 527 N 2.41 2.83 0.28 5.86 1.43 -0.15 -4.90 118.68 126.44 3kqx s LEU 527 Ca 0.51 -0.59 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 3kqx s LEU 527 Cb -0.20 -1.57 -0.09 0.00 0.03 0.00 0.00 46.19 44.35 3kqx s LEU 527 CO 0.17 0.13 0.74 -2.16 0.23 0.00 0.00 176.35 175.47 3kqx s PRO 528 N -2.55 4.13 -0.49 1.29 0.04 -1.26 -4.38 135.00 131.78 3kqx s PRO 528 Ca 0.22 0.78 -0.18 0.00 0.04 0.00 0.00 61.00 61.86 3kqx s PRO 528 Cb -0.09 -2.63 0.06 0.00 0.04 0.00 0.00 34.50 31.87 3kqx s PRO 528 CO 0.13 0.26 0.57 0.42 0.04 0.00 0.00 177.00 178.42 3kqx s ILE 529 N -1.78 4.96 -0.43 0.56 1.01 -1.26 -4.85 121.20 119.41 3kqx s ILE 529 Ca 0.49 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 60.38 3kqx s ILE 529 Cb -0.13 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.12 3kqx s ILE 529 CO 0.19 -0.72 0.64 -0.63 0.00 0.00 0.00 174.94 174.41 3kqx s ILE 530 N 2.42 4.84 0.37 2.92 1.01 -1.26 -4.93 121.20 126.57 3kqx s ILE 530 Ca 0.13 0.16 0.23 0.00 0.00 0.00 0.00 60.65 61.18 3kqx s ILE 530 Cb -0.20 -4.19 0.24 0.00 0.01 0.00 0.00 42.46 38.33 3kqx s ILE 530 CO 0.11 -0.56 1.99 0.78 0.00 0.00 0.00 174.94 177.27 3kqx h ASN 531 N 8.83 0.00 -0.26 3.58 2.35 -2.00 -2.24 115.58 125.84 3kqx h ASN 531 Ca -0.26 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3kqx h ASN 531 Cb 1.10 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3kqx h ASN 531 CO 0.88 0.18 0.34 -0.33 -1.65 0.00 0.00 177.43 176.86 3kqx h GLU 532 N 0.00 0.00 -0.00 0.81 3.07 -2.05 -1.85 114.58 114.56 3kqx h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kqx h GLU 532 Cb 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3kqx h GLU 532 CO 0.02 0.00 -0.25 0.66 -1.40 0.00 0.00 179.01 178.05 3kqx n TYR 533 N -3.56 0.00 -0.14 4.33 0.53 -0.84 -4.26 117.16 113.21 3kqx n TYR 533 Ca 0.04 0.00 0.07 0.00 -1.02 0.00 0.00 57.90 56.98 3kqx n TYR 533 Cb 0.48 -0.33 0.38 0.00 -1.03 0.00 0.00 39.34 38.84 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 0.11 0.66 0.00 -0.72 9.65 -1.49 -1.22 114.38 121.37 3kqx h ARG 534 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3kqx h ARG 534 Cb 0.48 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3kqx h ARG 534 CO 0.00 0.44 0.00 0.00 2.80 0.00 0.00 179.97 183.21 3kqx h ALA 535 N 1.64 1.00 0.00 2.80 0.00 -1.80 -1.20 119.26 121.71 3kqx h ALA 535 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kqx h ALA 535 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3kqx h ALA 535 CO -0.09 0.00 0.00 1.79 0.00 0.00 0.00 179.25 180.95 3kqx h THR 536 N 0.00 0.00 -0.54 0.00 1.35 -1.52 -2.34 112.91 109.86 3kqx h THR 536 Ca 0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3kqx h THR 536 Cb 0.19 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3kqx h THR 536 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3kqx n LEU 537 N -2.47 4.36 -4.48 3.87 4.77 -0.45 -4.53 117.00 118.08 3kqx n LEU 537 Ca 0.01 -2.20 -0.43 0.00 -0.03 0.00 0.00 56.01 53.36 3kqx n LEU 537 Cb 0.21 -0.57 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 3kqx n LEU 537 CO 0.20 0.67 0.74 0.20 -1.33 0.00 0.00 177.39 177.86 3kqx s ASN 538 N -0.78 6.22 0.37 -1.43 0.01 -0.88 -1.07 114.94 117.37 3kqx s ASN 538 Ca 0.44 -0.78 -0.26 0.00 -0.71 0.00 0.00 52.86 51.55 3kqx s ASN 538 Cb 0.30 -2.42 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 3kqx s ASN 538 CO 0.19 -1.35 1.16 -0.55 -1.51 0.00 0.00 177.10 175.03 3kqx s SER 539 N 3.37 6.70 0.36 -1.22 0.15 -1.26 -4.85 113.70 116.95 3kqx s SER 539 Ca 0.24 2.33 0.11 0.00 0.70 0.00 0.00 55.95 59.34 3kqx s SER 539 Cb -0.16 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 62.21 3kqx s SER 539 CO 0.13 -0.55 1.81 0.50 1.20 0.00 0.00 173.24 176.33 3kqx h LYS 540 N 2.90 0.06 0.00 5.44 1.63 -1.97 -3.39 116.57 121.24 3kqx h LYS 540 Ca -0.48 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 59.15 3kqx h LYS 540 Cb 1.23 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.83 3kqx h LYS 540 CO 0.63 0.42 -1.51 0.66 -3.45 0.00 0.00 179.45 176.20 3kqx n TYR 541 N -4.09 0.00 -2.80 1.91 4.01 -1.26 -5.07 117.16 109.85 3kqx n TYR 541 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 3kqx n TYR 541 Cb 0.41 -0.34 0.06 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.18 4.17 0.35 -0.72 0.00 -1.26 -5.00 121.76 117.12 3kqx s ALA 542 Ca -0.12 -1.76 0.07 0.00 0.00 0.00 0.00 51.96 50.15 3kqx s ALA 542 Cb 0.04 -1.80 0.66 0.00 0.00 0.00 0.00 23.12 22.01 3kqx s ALA 542 CO 0.20 -0.95 1.85 -0.44 0.00 0.00 0.00 175.76 176.42 3kqx h ASP 543 N -0.01 0.31 -4.74 0.00 3.32 -1.76 -3.39 116.42 110.15 3kqx h ASP 543 Ca -0.36 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 3kqx h ASP 543 Cb 1.28 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 40.55 3kqx h ASP 543 CO 0.44 0.49 0.04 -0.51 -1.72 0.00 0.00 179.24 177.98 3kqx s ILE 544 N -4.67 0.01 0.39 0.35 2.07 -0.87 -4.52 121.20 113.97 3kqx s ILE 544 Ca -0.06 -0.11 -0.18 0.00 -1.41 0.00 0.00 60.65 58.89 3kqx s ILE 544 Cb 0.15 -0.88 -0.10 0.00 0.13 0.00 0.00 42.46 41.76 3kqx s ILE 544 CO 0.75 -0.06 0.87 0.20 -1.91 0.00 0.00 174.94 174.79 3kqx s ASN 545 N -0.85 6.86 0.14 4.50 0.01 -0.24 -1.17 114.94 124.19 3kqx s ASN 545 Ca -0.09 1.52 -0.04 0.00 -0.71 0.00 0.00 52.86 53.54 3kqx s ASN 545 Cb -0.02 -2.47 -0.07 0.00 0.41 0.00 0.00 41.25 39.10 3kqx s ASN 545 CO 0.06 -0.31 1.33 -0.61 -1.51 0.00 0.00 177.10 176.06 3kqx h GLN 546 N 1.98 0.44 -4.71 -0.60 4.15 -1.65 -3.46 115.11 111.26 3kqx h GLN 546 Ca -0.48 -0.43 -0.25 0.00 0.77 0.00 0.00 58.65 58.25 3kqx h GLN 546 Cb 1.18 0.12 -0.15 0.00 0.21 0.00 0.00 27.48 28.84 3kqx h GLN 546 CO 0.63 1.09 -0.68 0.96 -1.93 0.00 0.00 178.83 178.90 3kqx s ILE 547 N -3.37 0.64 0.22 2.39 -4.36 -1.26 -4.94 121.20 110.52 3kqx s ILE 547 Ca -0.06 -1.96 -0.19 0.00 -0.26 0.00 0.00 60.65 58.19 3kqx s ILE 547 Cb 0.09 -1.93 -0.08 0.00 1.25 0.00 0.00 42.46 41.79 3kqx s ILE 547 CO 0.86 -0.64 0.71 -0.55 0.24 0.00 0.00 174.94 175.57 3kqx s SER 548 N -3.11 7.01 0.00 4.36 0.15 -1.26 -4.79 113.70 116.06 3kqx s SER 548 Ca 0.19 1.38 0.21 0.00 0.70 0.00 0.00 55.95 58.42 3kqx s SER 548 Cb 0.06 -2.40 0.05 0.00 -1.71 0.00 0.00 66.02 62.01 3kqx s SER 548 CO 0.00 0.02 1.06 -1.54 1.20 0.00 0.00 173.24 173.98 3kqx n SER 549 N 0.64 2.17 -0.04 5.45 3.41 -1.26 -4.71 113.62 119.27 3kqx n SER 549 Ca -0.02 -1.59 -0.06 0.00 -0.26 0.00 0.00 58.87 56.95 3kqx n SER 549 Cb 0.51 0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.76 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 0.33 2.98 -4.69 4.04 3.41 -1.26 -5.04 113.62 113.40 3kqx n SER 550 Ca 0.10 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 3kqx n SER 550 Cb 0.46 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 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 -2.15 4.06 -0.71 -3.33 1.01 -1.26 -4.93 120.40 113.09 3kqx s VAL 551 Ca -0.11 1.40 0.26 0.00 0.00 0.00 0.00 61.98 63.53 3kqx s VAL 551 Cb 0.03 -3.90 0.25 0.00 0.00 0.00 0.00 36.38 32.76 3kqx s VAL 551 CO 0.17 -0.01 1.70 0.29 0.00 0.00 0.00 175.10 177.26 3kqx n LYS 552 N 5.30 0.28 -1.71 2.72 4.01 -1.26 -4.55 118.16 122.95 3kqx n LYS 552 Ca 0.12 0.20 -0.42 0.00 -0.51 0.00 0.00 58.31 57.70 3kqx n LYS 552 Cb 0.45 -1.80 -0.00 0.00 -0.51 0.00 0.00 35.03 33.17 3kqx n LYS 552 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3kqx n ALA 553 N -1.80 5.62 -0.35 7.82 0.00 -1.26 -4.77 120.51 125.76 3kqx n ALA 553 Ca 0.05 -3.86 0.10 0.00 0.00 0.00 0.00 53.44 49.73 3kqx n ALA 553 Cb 0.44 -3.53 0.27 0.00 0.00 0.00 0.00 19.45 16.62 3kqx n ALA 553 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kqx h SER 554 N 5.97 0.79 -0.44 0.00 0.02 -1.98 -1.27 113.55 116.65 3kqx h SER 554 Ca 0.58 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.52 3kqx h SER 554 Cb 0.62 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3kqx h SER 554 CO 1.89 0.34 -0.06 0.28 -1.14 0.00 0.00 176.83 178.14 3kqx h SER 555 N 0.82 0.87 -0.21 3.07 0.02 -1.93 -0.16 113.55 116.03 3kqx h SER 555 Ca 0.53 -0.25 -0.17 0.00 -0.84 0.00 0.00 61.79 61.06 3kqx h SER 555 Cb 0.70 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3kqx h SER 555 CO -0.34 0.96 -0.54 0.40 -1.14 0.00 0.00 176.83 176.17 3kqx h ILE 556 N 0.80 1.30 -0.81 3.27 2.04 -1.70 -2.54 117.51 119.87 3kqx h ILE 556 Ca 0.14 -1.76 -0.04 0.00 1.00 0.00 0.00 64.86 64.20 3kqx h ILE 556 Cb 0.56 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.45 3kqx h ILE 556 CO 0.03 0.56 0.35 0.58 0.00 0.00 0.00 178.15 179.67 3kqx h VAL 557 N 0.46 1.26 -0.71 1.67 2.07 -1.11 -1.41 116.25 118.48 3kqx h VAL 557 Ca -0.01 -0.79 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3kqx h VAL 557 Cb 1.16 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3kqx h VAL 557 CO 0.12 0.33 0.28 0.00 0.02 0.00 0.00 177.57 178.32 3kqx h ALA 558 N 1.19 1.16 -0.37 1.67 0.00 -1.01 -1.37 119.26 120.53 3kqx h ALA 558 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kqx h ALA 558 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3kqx h ALA 558 CO -0.03 0.60 0.18 0.77 0.00 0.00 0.00 179.25 180.78 3kqx h SER 559 N 1.02 0.48 -0.96 0.00 0.02 -0.95 -0.69 113.55 112.47 3kqx h SER 559 Ca 0.24 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3kqx h SER 559 Cb 0.19 -0.12 -0.07 0.00 0.14 0.00 0.00 62.40 62.54 3kqx h SER 559 CO -0.02 0.46 0.62 -0.07 -1.14 0.00 0.00 176.83 176.68 3kqx h LEU 560 N 0.46 0.95 0.18 5.07 3.38 -0.85 -1.23 115.31 123.26 3kqx h LEU 560 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3kqx h LEU 560 Cb 0.11 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3kqx h LEU 560 CO -0.02 0.59 -0.08 0.15 0.09 0.00 0.00 178.44 179.17 3kqx h PHE 561 N 1.06 -0.22 -0.34 1.13 3.04 -0.55 -3.16 116.94 117.91 3kqx h PHE 561 Ca 0.42 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.34 3kqx h PHE 561 Cb 0.26 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 3kqx h PHE 561 CO -0.00 -0.08 0.08 -0.07 -2.02 0.00 0.00 178.31 176.22 3kqx h LEU 562 N -0.31 0.45 -1.76 0.59 3.38 -0.88 -2.15 115.31 114.62 3kqx h LEU 562 Ca -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3kqx h LEU 562 Cb 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3kqx h LEU 562 CO 0.04 0.45 -0.16 0.50 0.09 0.00 0.00 178.44 179.36 3kqx h LYS 563 N 0.48 0.00 0.00 1.13 3.64 -1.20 -1.25 116.57 119.37 3kqx h LYS 563 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3kqx h LYS 563 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3kqx h LYS 563 CO -0.00 0.16 0.00 0.39 -2.27 0.00 0.00 179.45 177.73 3kqx n GLU 564 N -3.88 0.08 -0.15 1.90 -0.58 -0.81 -2.73 120.64 114.48 3kqx n GLU 564 Ca -0.02 0.48 0.07 0.00 -0.42 0.00 0.00 57.16 57.26 3kqx n GLU 564 Cb 0.26 -1.71 0.14 0.00 -0.57 0.00 0.00 31.44 29.56 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 -1.88 0.38 -3.98 -0.32 3.01 -0.47 -4.81 117.46 109.39 3kqx n PHE 565 Ca 0.01 -0.35 -0.30 0.00 1.01 0.00 0.00 57.45 57.82 3kqx n PHE 565 Cb 0.09 -0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.39 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 -1.03 1.55 -0.16 -4.37 1.01 -1.10 -3.98 120.40 112.32 3kqx s VAL 566 Ca 0.24 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 3kqx s VAL 566 Cb 0.13 -1.62 -0.23 0.00 0.00 0.00 0.00 36.38 34.66 3kqx s VAL 566 CO 0.18 0.20 0.42 1.56 0.00 0.00 0.00 175.10 177.46 3kqx h GLN 567 N 8.01 0.09 -0.24 2.72 1.08 -1.87 -3.45 115.11 121.45 3kqx h GLN 567 Ca -0.29 -0.15 -0.21 0.00 -1.45 0.00 0.00 58.65 56.55 3kqx h GLN 567 Cb 1.10 0.06 -0.29 0.00 -0.05 0.00 0.00 27.48 28.31 3kqx h GLN 567 CO 0.47 1.07 -0.73 -1.71 -0.95 0.00 0.00 178.83 176.98 3kqx n ASN 568 N -4.25 0.17 -4.00 1.46 5.15 -1.26 -5.10 115.26 107.43 3kqx n ASN 568 Ca -0.26 -2.12 -0.18 0.00 -0.60 0.00 0.00 54.58 51.42 3kqx n ASN 568 Cb 0.74 0.06 -0.15 0.00 -0.53 0.00 0.00 39.78 39.90 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqx s THR 569 N -2.00 0.60 0.08 -0.44 2.01 -1.26 -5.11 115.64 109.52 3kqx s THR 569 Ca 0.19 -0.32 -0.32 0.00 0.31 0.00 0.00 61.69 61.54 3kqx s THR 569 Cb 0.38 -0.51 -0.11 0.00 0.01 0.00 0.00 72.50 72.27 3kqx s THR 569 CO -0.08 0.17 1.82 0.00 -0.69 0.00 0.00 174.62 175.85 3kqx n ALA 570 N 2.90 1.73 -2.98 7.40 0.00 -1.26 -4.92 120.51 123.38 3kqx n ALA 570 Ca -0.13 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 3kqx n ALA 570 Cb 0.57 -2.55 -0.12 0.00 0.00 0.00 0.00 19.45 17.35 3kqx n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kqx s TRP 571 N 2.93 0.00 0.04 0.00 -0.00 -1.26 -1.68 118.94 118.97 3kqx s TRP 571 Ca 0.84 0.01 -0.02 0.00 -0.00 0.00 0.00 56.10 56.93 3kqx s TRP 571 Cb -0.55 -0.03 -0.03 0.00 -0.00 0.00 0.00 33.47 32.87 3kqx s TRP 571 CO 0.41 -0.11 0.00 0.00 -0.00 0.00 0.00 176.95 177.25 3kqx s ALA 572 N -0.49 0.23 -0.06 5.86 0.00 -0.53 -1.73 121.76 125.04 3kqx s ALA 572 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3kqx s ALA 572 Cb -0.04 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.34 3kqx s ALA 572 CO 0.00 -0.29 -0.03 -1.58 0.00 0.00 0.00 175.76 173.86 3kqx s HIS 573 N -2.80 0.76 -0.23 0.00 2.46 0.44 -1.13 115.29 114.80 3kqx s HIS 573 Ca -0.03 -0.22 -0.02 0.00 0.47 0.00 0.00 55.06 55.26 3kqx s HIS 573 Cb -0.00 -0.75 0.02 0.00 -0.13 0.00 0.00 32.58 31.72 3kqx s HIS 573 CO -0.06 -0.26 -0.08 0.42 -2.47 0.00 0.00 174.74 172.29 3kqx s ILE 574 N 1.35 2.83 -0.40 0.89 1.01 0.38 -0.99 121.20 126.27 3kqx s ILE 574 Ca -0.04 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.55 3kqx s ILE 574 Cb -0.13 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 39.98 3kqx s ILE 574 CO -0.02 0.29 0.28 -0.62 0.00 0.00 0.00 174.94 174.87 3kqx s ASP 575 N 1.35 6.06 -0.17 3.58 -1.08 -0.28 -1.61 116.67 124.52 3kqx s ASP 575 Ca 0.02 -0.87 0.16 0.00 -0.52 0.00 0.00 52.55 51.33 3kqx s ASP 575 Cb -0.16 -2.14 0.55 0.00 -1.46 0.00 0.00 42.92 39.71 3kqx s ASP 575 CO -0.06 -0.43 1.45 2.30 0.52 0.00 0.00 175.17 178.95 3kqx n ILE 576 N 5.14 2.22 -0.17 4.11 -5.35 0.96 -2.70 119.36 123.57 3kqx n ILE 576 Ca -0.11 -1.74 0.05 0.00 -0.27 0.00 0.00 62.75 60.67 3kqx n ILE 576 Cb 0.47 -0.18 0.33 0.00 -1.74 0.00 0.00 39.64 38.52 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 2.10 1.64 -0.05 -1.28 0.00 -1.83 -1.23 119.26 118.60 3kqx h ALA 577 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 3kqx h ALA 577 Cb 1.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3kqx h ALA 577 CO 0.23 0.27 -0.75 0.78 0.00 0.00 0.00 179.25 179.78 3kqx h GLY 578 N 0.80 0.36 0.00 0.00 0.00 -1.82 -3.39 103.07 99.01 3kqx h GLY 578 Ca 0.29 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3kqx h GLY 578 CO -0.09 0.47 -1.42 3.33 0.00 0.00 0.00 176.54 178.84 3kqx n VAL 579 N -3.80 0.00 -0.27 4.60 0.24 -0.83 -4.27 118.33 114.00 3kqx n VAL 579 Ca -0.04 -0.28 -0.06 0.00 -2.04 0.00 0.00 64.34 61.92 3kqx n VAL 579 Cb 0.72 0.47 0.05 0.00 -1.47 0.00 0.00 33.84 33.61 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 1.04 -3.37 -1.34 0.87 -1.45 -3.43 113.55 105.87 3kqx h SER 580 Ca 0.00 -0.18 -0.62 0.00 -1.23 0.00 0.00 61.79 59.76 3kqx h SER 580 Cb 0.66 -0.27 -0.18 0.00 -0.44 0.00 0.00 62.40 62.17 3kqx h SER 580 CO 0.00 0.94 -0.58 0.86 -0.53 0.00 0.00 176.83 177.51 3kqx s TRP 581 N -5.52 3.19 -0.68 2.24 -0.11 -1.26 -1.06 118.94 115.74 3kqx s TRP 581 Ca -0.12 -0.05 -0.26 0.00 1.22 0.00 0.00 56.10 56.89 3kqx s TRP 581 Cb 0.15 -2.10 0.04 0.00 -1.50 0.00 0.00 33.47 30.06 3kqx s TRP 581 CO 0.83 0.04 1.15 1.21 -4.62 0.00 0.00 176.95 175.56 3kqx s ASN 582 N 0.61 6.23 0.24 5.86 3.84 0.14 -4.88 114.94 126.98 3kqx s ASN 582 Ca 0.03 -0.49 -0.01 0.00 0.21 0.00 0.00 52.86 52.60 3kqx s ASN 582 Cb -0.13 -2.51 0.27 0.00 -0.55 0.00 0.00 41.25 38.33 3kqx s ASN 582 CO 0.02 -1.62 1.64 -0.26 -2.79 0.00 0.00 177.10 174.09 3kqx h PHE 583 N 9.76 0.67 -0.25 0.43 -1.00 -1.97 0.02 116.94 124.60 3kqx h PHE 583 Ca -0.28 -0.17 -0.15 0.00 2.81 0.00 0.00 57.97 60.18 3kqx h PHE 583 Cb 1.06 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.47 3kqx h PHE 583 CO 1.05 0.83 -0.44 0.87 -1.61 0.00 0.00 178.31 179.00 3kqx h LYS 584 N 0.49 0.74 -0.00 1.51 6.56 -1.95 -3.18 116.57 120.74 3kqx h LYS 584 Ca 0.06 -0.46 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 3kqx h LYS 584 Cb 0.79 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.50 3kqx h LYS 584 CO 0.06 1.09 -0.25 0.00 -2.06 0.00 0.00 179.45 178.29 3kqx n ALA 585 N -2.54 3.03 -3.46 3.86 0.00 -1.17 -4.97 120.51 115.26 3kqx n ALA 585 Ca -0.05 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 3kqx n ALA 585 Cb 0.57 -1.22 0.07 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.05 -7.06 -3.78 0.00 1.74 -0.03 -5.00 116.66 101.48 3kqx n ARG 586 Ca 0.11 0.76 -0.09 0.00 -0.77 0.00 0.00 57.85 57.86 3kqx n ARG 586 Cb 0.32 -5.58 -0.03 0.00 -1.02 0.00 0.00 32.46 26.15 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 -6.02 1.57 0.81 5.56 -2.85 -1.08 -5.02 119.74 112.70 3kqx s LYS 587 Ca 0.44 -0.91 -0.11 0.00 -1.00 0.00 0.00 55.97 54.39 3kqx s LYS 587 Cb -0.19 0.56 0.08 0.00 -2.06 0.00 0.00 37.83 36.22 3kqx s LYS 587 CO 0.66 -0.69 1.09 -2.14 0.10 0.00 0.00 175.35 174.37 3kqx s PRO 588 N -3.89 1.96 0.09 1.78 0.02 -1.26 0.27 135.00 133.96 3kqx s PRO 588 Ca 0.10 1.09 0.22 0.00 0.02 0.00 0.00 61.00 62.43 3kqx s PRO 588 Cb -0.03 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.47 3kqx s PRO 588 CO 0.01 -1.83 0.78 1.63 -0.33 0.00 0.00 177.00 177.27 3kqx n LYS 589 N -3.64 0.63 -2.13 5.54 5.02 -0.23 -4.63 118.16 118.73 3kqx n LYS 589 Ca 0.09 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.22 3kqx n LYS 589 Cb 0.54 -1.70 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 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 1.24 0.10 3.67 0.72 0.00 -1.26 -4.91 105.19 104.74 3kqx n GLY 590 Ca -0.03 -0.23 -0.47 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.71 2.24 0.00 1.61 7.35 -1.26 -3.23 117.46 120.46 3kqx n PHE 591 Ca -0.18 0.23 0.00 0.00 -0.76 0.00 0.00 57.45 56.74 3kqx n PHE 591 Cb 0.62 -2.56 0.00 0.00 0.35 0.00 0.00 39.48 37.89 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 3.59 2.23 0.18 7.13 0.00 -1.26 -4.73 105.19 112.33 3kqx n GLY 592 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 0.67 -0.03 1.61 2.07 -1.74 -1.04 116.25 117.78 3kqx h VAL 593 Ca 0.00 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 3kqx h VAL 593 Cb 0.00 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3kqx h VAL 593 CO 0.00 0.00 -0.80 0.03 0.02 0.00 0.00 177.57 176.82 3kqx h ARG 594 N -0.26 0.25 0.16 1.57 3.08 -1.91 -0.60 114.38 116.68 3kqx h ARG 594 Ca 0.03 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3kqx h ARG 594 Cb 0.29 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3kqx h ARG 594 CO -0.10 0.92 -0.14 1.25 -1.07 0.00 0.00 179.97 180.84 3kqx h LEU 595 N 0.16 -0.36 -0.85 3.04 5.85 -1.84 -0.00 115.31 121.30 3kqx h LEU 595 Ca -0.04 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3kqx h LEU 595 Cb 1.39 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 3kqx h LEU 595 CO 0.13 -0.21 0.04 -0.07 -0.34 0.00 0.00 178.44 177.98 3kqx h LEU 596 N -0.32 0.86 -0.33 2.25 3.38 -1.09 -1.98 115.31 118.08 3kqx h LEU 596 Ca -0.00 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 3kqx h LEU 596 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kqx h LEU 596 CO -0.02 0.90 -0.15 0.74 0.09 0.00 0.00 178.44 179.99 3kqx h THR 597 N 0.83 1.29 -0.50 0.22 2.02 -1.00 -1.92 112.91 113.85 3kqx h THR 597 Ca 0.16 -1.26 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 3kqx h THR 597 Cb 0.44 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3kqx h THR 597 CO 0.02 0.41 0.19 -0.33 0.37 0.00 0.00 175.52 176.17 3kqx h GLU 598 N 0.45 0.73 0.03 6.66 4.39 -0.90 -0.17 114.58 125.77 3kqx h GLU 598 Ca 0.07 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.68 3kqx h GLU 598 Cb 0.68 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3kqx h GLU 598 CO 0.05 0.61 -0.10 0.35 -1.16 0.00 0.00 179.01 178.75 3kqx h PHE 599 N 0.72 -0.27 -0.47 4.33 3.57 -1.17 0.14 116.94 123.79 3kqx h PHE 599 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 3kqx h PHE 599 Cb 0.16 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3kqx h PHE 599 CO 0.01 -0.16 0.28 0.28 -2.23 0.00 0.00 178.31 176.48 3kqx h VAL 600 N -0.19 1.15 -0.07 1.41 2.07 -1.05 -3.21 116.25 116.37 3kqx h VAL 600 Ca 0.03 -0.37 -0.16 0.00 0.82 0.00 0.00 66.70 67.03 3kqx h VAL 600 Cb 0.23 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 3kqx h VAL 600 CO -0.09 0.16 -0.64 -0.07 0.02 0.00 0.00 177.57 176.95 3kqx h LEU 601 N 0.63 0.30 -1.22 2.57 4.07 -0.89 -3.51 115.31 117.26 3kqx h LEU 601 Ca 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.95 3kqx h LEU 601 Cb 0.02 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.67 3kqx h LEU 601 CO -0.03 0.86 0.00 0.59 -1.08 0.00 0.00 178.44 178.78