#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 4.41 -0.24 1.43 0.41 -1.26 -4.94 118.70 118.51 3kqx s GLU 87 Ca 0.00 1.87 -0.27 0.00 -0.41 0.00 0.00 54.97 56.16 3kqx s GLU 87 Cb 0.00 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 3kqx s GLU 87 CO 0.00 -0.28 0.92 0.08 -0.49 0.00 0.00 175.26 175.49 3kqx s VAL 88 N 0.92 4.76 0.51 2.63 1.01 -1.26 -5.03 120.40 123.93 3kqx s VAL 88 Ca 0.59 1.75 -0.22 0.00 0.00 0.00 0.00 61.98 64.11 3kqx s VAL 88 Cb -0.32 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 31.79 3kqx s VAL 88 CO 0.30 -0.14 1.22 -2.16 0.00 0.00 0.00 175.10 174.33 3kqx s PRO 89 N 3.02 3.44 0.06 2.72 0.04 -1.26 -4.96 135.00 138.06 3kqx s PRO 89 Ca 0.39 1.89 0.07 0.00 0.04 0.00 0.00 61.00 63.38 3kqx s PRO 89 Cb -0.15 -2.26 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 3kqx s PRO 89 CO 0.07 -0.84 -0.19 -0.65 0.04 0.00 0.00 177.00 175.42 3kqx s GLN 90 N -2.90 1.21 -0.08 4.56 -0.21 -1.26 -5.03 119.66 115.95 3kqx s GLN 90 Ca 0.69 -0.98 -0.08 0.00 0.02 0.00 0.00 55.36 55.01 3kqx s GLN 90 Cb -0.31 -1.35 -0.28 0.00 1.00 0.00 0.00 33.01 32.07 3kqx s GLN 90 CO 0.37 0.33 0.53 0.28 -2.12 0.00 0.00 175.29 174.68 3kqx h VAL 91 N 4.30 0.79 -3.23 1.09 2.07 -1.96 -3.48 116.25 115.83 3kqx h VAL 91 Ca -0.43 -2.45 -0.40 0.00 0.82 0.00 0.00 66.70 64.24 3kqx h VAL 91 Cb 1.17 2.63 -0.15 0.00 -1.52 0.00 0.00 31.29 33.42 3kqx h VAL 91 CO 0.42 0.87 -0.73 0.68 0.02 0.00 0.00 177.57 178.83 3kqx s VAL 92 N -2.57 1.46 -0.75 2.57 -7.23 -1.26 -5.04 120.40 107.58 3kqx s VAL 92 Ca -0.18 -2.04 0.13 0.00 -1.81 0.00 0.00 61.98 58.08 3kqx s VAL 92 Cb 0.06 -1.85 0.13 0.00 0.56 0.00 0.00 36.38 35.28 3kqx s VAL 92 CO 0.81 -0.59 1.41 -1.54 -0.31 0.00 0.00 175.10 174.88 3kqx n SER 93 N -0.08 0.24 -0.05 4.85 3.41 -1.26 -1.19 113.62 119.54 3kqx n SER 93 Ca -0.11 0.58 0.15 0.00 -0.26 0.00 0.00 58.87 59.23 3kqx n SER 93 Cb 0.59 -0.62 0.71 0.00 -0.26 0.00 0.00 64.21 64.63 3kqx n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 94 N -1.79 0.21 -4.72 1.04 4.77 -1.26 -4.87 117.00 110.38 3kqx n LEU 94 Ca 0.01 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 3kqx n LEU 94 Cb 0.11 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3kqx n LEU 94 CO 0.10 0.04 0.85 -1.81 -1.33 0.00 0.00 177.39 175.24 3kqx s ASP 95 N -2.47 7.14 0.59 -1.43 1.01 -0.33 -4.98 116.67 116.20 3kqx s ASP 95 Ca 0.31 2.06 -0.20 0.00 0.71 0.00 0.00 52.55 55.43 3kqx s ASP 95 Cb 0.20 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 3kqx s ASP 95 CO 0.46 -0.38 1.34 -2.84 0.21 0.00 0.00 175.17 173.96 3kqx s PRO 96 N 0.45 2.85 0.00 8.23 0.02 -1.26 -4.96 135.00 140.33 3kqx s PRO 96 Ca 0.55 2.18 0.05 0.00 0.02 0.00 0.00 61.00 63.80 3kqx s PRO 96 Cb -0.30 -2.07 0.11 0.00 0.02 0.00 0.00 34.50 32.27 3kqx s PRO 96 CO 0.32 -1.40 0.98 0.25 -0.33 0.00 0.00 177.00 176.82 3kqx n THR 97 N -1.44 0.68 -3.72 0.99 -2.24 -1.26 -4.87 114.28 102.42 3kqx n THR 97 Ca 0.13 -0.84 -0.10 0.00 -2.27 0.00 0.00 64.05 60.97 3kqx n THR 97 Cb 0.46 0.69 -0.04 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.82 -0.25 -0.13 3.42 1.04 -1.26 -4.71 113.70 110.98 3kqx s SER 98 Ca 0.09 -0.46 -0.25 0.00 0.48 0.00 0.00 55.95 55.81 3kqx s SER 98 Cb 0.05 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 3kqx s SER 98 CO 0.07 -1.01 0.82 -0.63 0.98 0.00 0.00 173.24 173.47 3kqx s ILE 99 N -3.86 4.91 0.20 -1.02 1.01 -1.26 -4.86 121.20 116.32 3kqx s ILE 99 Ca 0.08 1.63 -0.30 0.00 0.00 0.00 0.00 60.65 62.06 3kqx s ILE 99 Cb -0.00 -4.13 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 3kqx s ILE 99 CO -0.04 0.08 1.12 -2.16 0.00 0.00 0.00 174.94 173.94 3kqx s PRO 100 N 1.78 4.58 -0.06 2.79 0.04 -1.26 -5.01 135.00 137.85 3kqx s PRO 100 Ca 0.39 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.21 3kqx s PRO 100 Cb -0.17 -3.25 0.02 0.00 0.04 0.00 0.00 34.50 31.14 3kqx s PRO 100 CO 0.15 0.06 -0.04 0.42 0.04 0.00 0.00 177.00 177.62 3kqx s ILE 101 N -0.37 0.62 -0.28 0.56 1.01 -1.26 -4.98 121.20 116.51 3kqx s ILE 101 Ca 0.49 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.87 3kqx s ILE 101 Cb -0.31 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 3kqx s ILE 101 CO 0.36 0.27 0.42 -0.70 0.00 0.00 0.00 174.94 175.29 3kqx s GLU 102 N 1.30 3.96 -0.21 2.79 2.12 -1.26 -4.97 118.70 122.42 3kqx s GLU 102 Ca -0.05 0.05 -0.14 0.00 0.36 0.00 0.00 54.97 55.19 3kqx s GLU 102 Cb -0.14 -3.68 -0.09 0.00 0.26 0.00 0.00 34.13 30.49 3kqx s GLU 102 CO -0.02 -0.35 -0.32 0.66 -0.54 0.00 0.00 175.26 174.69 3kqx n TYR 103 N 5.42 0.00 -2.63 5.30 4.02 -1.26 -4.79 117.16 123.22 3kqx n TYR 103 Ca -0.07 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.40 3kqx n TYR 103 Cb 0.50 -0.71 -0.03 0.00 -0.02 0.00 0.00 39.34 39.08 3kqx n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqx s ASN 104 N -6.69 6.32 0.45 7.72 -0.87 -1.26 -4.99 114.94 115.62 3kqx s ASN 104 Ca -0.32 -1.01 0.01 0.00 -1.57 0.00 0.00 52.86 49.98 3kqx s ASN 104 Cb 0.09 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.79 3kqx s ASN 104 CO 0.42 -1.60 0.66 0.42 -2.57 0.00 0.00 177.10 174.43 3kqx s THR 105 N 4.98 3.77 0.34 1.60 -4.23 -1.26 -4.98 115.64 115.87 3kqx s THR 105 Ca 0.37 -0.59 0.38 0.00 -1.18 0.00 0.00 61.69 60.67 3kqx s THR 105 Cb -0.06 -3.38 0.42 0.00 1.34 0.00 0.00 72.50 70.81 3kqx s THR 105 CO 0.04 -0.25 2.15 -0.65 -0.54 0.00 0.00 174.62 175.36 3kqx h PRO 106 N 0.41 0.00 -0.74 3.99 0.11 -2.00 -0.38 132.00 133.39 3kqx h PRO 106 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3kqx h PRO 106 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3kqx h PRO 106 CO 0.56 0.00 0.42 0.82 -0.21 0.00 0.00 178.00 179.59 3kqx h ILE 107 N 0.00 1.22 0.00 4.15 1.08 -1.94 -2.11 117.51 119.91 3kqx h ILE 107 Ca -0.00 -0.52 -0.00 0.00 -0.39 0.00 0.00 64.86 63.95 3kqx h ILE 107 Cb 0.30 0.20 -0.00 0.00 -3.07 0.00 0.00 36.82 34.25 3kqx h ILE 107 CO 0.00 0.24 -0.00 0.45 -0.69 0.00 0.00 178.15 178.15 3kqx h HIS 108 N 1.03 0.00 -0.01 1.37 3.86 -1.44 -1.92 115.15 118.04 3kqx h HIS 108 Ca 0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 3kqx h HIS 108 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 3kqx h HIS 108 CO 0.01 0.00 -0.25 -0.25 0.86 0.00 0.00 177.93 178.30 3kqx n ASP 109 N -3.10 1.57 -4.64 2.45 8.00 -0.79 -4.85 116.55 115.19 3kqx n ASP 109 Ca -0.02 -1.27 -0.43 0.00 0.71 0.00 0.00 54.79 53.78 3kqx n ASP 109 Cb 0.12 0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 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 -2.36 4.13 -0.20 0.53 1.01 -0.72 -4.84 121.20 118.74 3kqx s ILE 110 Ca 0.25 1.32 -0.28 0.00 0.00 0.00 0.00 60.65 61.94 3kqx s ILE 110 Cb 0.19 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3kqx s ILE 110 CO 0.48 -0.31 1.00 -0.54 0.00 0.00 0.00 174.94 175.57 3kqx s LYS 111 N 3.96 4.29 -0.12 2.79 3.01 -0.37 -4.89 119.74 128.41 3kqx s LYS 111 Ca 0.58 1.30 -0.01 0.00 -1.01 0.00 0.00 55.97 56.83 3kqx s LYS 111 Cb -0.20 -3.62 -0.02 0.00 -1.01 0.00 0.00 37.83 32.98 3kqx s LYS 111 CO 0.21 -0.53 -0.08 0.08 0.51 0.00 0.00 175.35 175.53 3kqx s VAL 112 N 2.85 3.56 -0.06 3.17 1.01 -1.26 -0.64 120.40 129.03 3kqx s VAL 112 Ca 0.44 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.94 3kqx s VAL 112 Cb -0.16 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3kqx s VAL 112 CO 0.09 0.54 -0.10 -1.10 0.00 0.00 0.00 175.10 174.53 3kqx s GLN 113 N -0.05 1.41 -0.17 2.72 -0.21 -0.34 -4.98 119.66 118.05 3kqx s GLN 113 Ca -0.00 -0.33 -0.07 0.00 0.02 0.00 0.00 55.36 54.98 3kqx s GLN 113 Cb -0.14 -1.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.62 3kqx s GLN 113 CO 0.03 0.01 0.07 0.08 -2.12 0.00 0.00 175.29 173.37 3kqx s VAL 114 N 0.67 4.90 0.11 1.09 1.01 -1.26 -0.82 120.40 126.10 3kqx s VAL 114 Ca -0.13 0.00 0.10 0.00 0.00 0.00 0.00 61.98 61.95 3kqx s VAL 114 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3kqx s VAL 114 CO 0.03 0.48 -0.25 -0.31 0.00 0.00 0.00 175.10 175.05 3kqx s TYR 115 N 0.14 2.17 0.07 5.22 1.51 0.94 -4.96 117.35 122.44 3kqx s TYR 115 Ca 0.05 -0.39 -0.30 0.00 -1.01 0.00 0.00 57.07 55.42 3kqx s TYR 115 Cb -0.12 -1.20 -0.05 0.00 -0.11 0.00 0.00 41.96 40.48 3kqx s TYR 115 CO 0.00 0.27 1.05 0.34 -1.11 0.00 0.00 175.55 176.10 3kqx s ASP 116 N -1.89 7.31 0.37 2.29 -1.08 -1.26 -1.71 116.67 120.70 3kqx s ASP 116 Ca 0.12 1.84 0.05 0.00 -0.52 0.00 0.00 52.55 54.03 3kqx s ASP 116 Cb -0.10 -2.58 0.72 0.00 -1.46 0.00 0.00 42.92 39.50 3kqx s ASP 116 CO 0.05 -0.26 1.98 -0.29 0.52 0.00 0.00 175.17 177.17 3kqx h ILE 117 N 4.40 1.15 -0.50 4.11 2.10 -1.44 -3.02 117.51 124.31 3kqx h ILE 117 Ca -0.42 -0.43 0.15 0.00 1.08 0.00 0.00 64.86 65.24 3kqx h ILE 117 Cb 1.22 0.61 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 3kqx h ILE 117 CO 0.75 0.17 0.57 0.07 -1.08 0.00 0.00 178.15 178.63 3kqx h LYS 118 N 0.60 0.00 -0.00 2.19 -0.00 -1.92 0.15 116.57 117.59 3kqx h LYS 118 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.80 3kqx h LYS 118 Cb 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.30 3kqx h LYS 118 CO -0.02 0.00 -0.05 0.41 -0.00 0.00 0.00 179.45 179.79 3kqx n GLY 119 N -1.52 -1.30 0.00 0.07 0.00 -1.14 -5.02 105.19 96.28 3kqx n GLY 119 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kqx n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 120 N 1.37 -2.03 3.77 -0.02 0.00 0.53 -4.96 105.19 103.86 3kqx n GLY 120 Ca 0.11 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.04 7.20 -0.32 0.00 0.01 -1.26 -1.36 114.94 119.17 3kqx s ASN 122 Ca 0.18 1.46 -0.00 0.00 -0.71 0.00 0.00 52.86 53.79 3kqx s ASN 122 Cb -0.14 -2.43 0.10 0.00 0.41 0.00 0.00 41.25 39.19 3kqx s ASN 122 CO 0.06 0.19 0.11 -0.69 -1.51 0.00 0.00 177.10 175.26 3kqx s VAL 123 N -1.23 1.02 0.00 1.60 1.01 -1.26 -4.95 120.40 116.58 3kqx s VAL 123 Ca 0.35 -1.58 0.00 0.00 0.00 0.00 0.00 61.98 60.76 3kqx s VAL 123 Cb -0.20 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.41 3kqx s VAL 123 CO 0.23 -0.69 0.00 -0.62 0.00 0.00 0.00 175.10 174.01 3kqx n GLU 124 N 4.68 2.74 -3.86 2.72 1.02 -1.26 -4.90 120.64 121.78 3kqx n GLU 124 Ca -0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 3kqx n GLU 124 Cb 0.41 -0.75 0.02 0.00 -0.02 0.00 0.00 31.44 31.10 3kqx n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kqx s GLU 125 N -1.13 1.56 1.49 3.49 -1.05 -1.26 -4.92 118.70 116.88 3kqx s GLU 125 Ca 0.00 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 3kqx s GLU 125 Cb 0.00 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.13 3kqx s GLU 125 CO 0.00 -0.73 0.00 0.41 0.95 0.00 0.00 175.26 175.89 3kqx n GLY 126 N -0.64 1.30 3.45 -3.83 0.00 -1.26 -4.69 105.19 99.52 3kqx n GLY 126 Ca -0.05 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3kqx n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqx s LEU 127 N 0.00 2.95 -0.24 0.99 2.96 -0.44 -2.29 118.68 122.61 3kqx s LEU 127 Ca 0.00 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 3kqx s LEU 127 Cb 0.00 -1.67 0.03 0.00 0.50 0.00 0.00 46.19 45.05 3kqx s LEU 127 CO 0.00 0.21 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.27 3kqx s THR 128 N 0.07 2.66 -0.22 3.68 2.01 -0.69 -0.46 115.64 122.69 3kqx s THR 128 Ca -0.03 -1.08 -0.06 0.00 0.31 0.00 0.00 61.69 60.83 3kqx s THR 128 Cb -0.14 -2.34 -0.03 0.00 0.01 0.00 0.00 72.50 70.00 3kqx s THR 128 CO 0.04 0.23 0.03 -0.63 -0.69 0.00 0.00 174.62 173.60 3kqx s ILE 129 N 1.29 4.11 -0.08 1.82 -1.09 -0.07 -0.16 121.20 127.03 3kqx s ILE 129 Ca -0.00 -0.25 -0.21 0.00 -2.23 0.00 0.00 60.65 57.96 3kqx s ILE 129 Cb -0.16 -2.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.79 3kqx s ILE 129 CO -0.06 0.39 0.59 -0.36 -1.23 0.00 0.00 174.94 174.27 3kqx s PHE 130 N 1.25 3.57 -0.47 3.97 0.40 -0.47 -0.57 117.98 125.66 3kqx s PHE 130 Ca 0.04 1.09 -0.22 0.00 -0.60 0.00 0.00 56.93 57.24 3kqx s PHE 130 Cb -0.15 -2.67 0.03 0.00 0.51 0.00 0.00 43.02 40.75 3kqx s PHE 130 CO 0.02 0.16 0.75 -0.51 0.70 0.00 0.00 175.22 176.34 3kqx s LEU 131 N 0.57 4.39 -0.04 -0.37 1.43 0.33 -1.97 118.68 123.02 3kqx s LEU 131 Ca 0.32 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3kqx s LEU 131 Cb -0.17 -2.81 -0.00 0.00 0.03 0.00 0.00 46.19 43.24 3kqx s LEU 131 CO 0.15 -0.92 -0.17 -0.69 0.23 0.00 0.00 176.35 174.94 3kqx s VAL 132 N 3.18 1.46 0.21 -1.59 1.01 -1.05 -1.71 120.40 121.91 3kqx s VAL 132 Ca 0.26 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3kqx s VAL 132 Cb -0.14 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 34.99 3kqx s VAL 132 CO 0.20 0.42 0.01 -0.46 0.00 0.00 0.00 175.10 175.27 3kqx n ASN 133 N 3.14 2.33 -3.16 3.32 6.94 -1.26 -0.74 115.26 125.83 3kqx n ASN 133 Ca -0.18 -1.96 -0.15 0.00 -0.02 0.00 0.00 54.58 52.27 3kqx n ASN 133 Cb 0.53 0.21 -0.05 0.00 -2.36 0.00 0.00 39.78 38.10 3kqx n ASN 133 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kqx s ASN 134 N -2.19 0.22 0.02 0.53 3.84 -0.77 -4.78 114.94 111.81 3kqx s ASN 134 Ca 0.02 -2.14 -0.32 0.00 0.21 0.00 0.00 52.86 50.62 3kqx s ASN 134 Cb 0.00 0.73 -0.11 0.00 -0.55 0.00 0.00 41.25 41.32 3kqx s ASN 134 CO 0.01 -0.15 1.88 -2.65 -2.79 0.00 0.00 177.10 173.41 3kqx n PRO 135 N 3.29 2.55 0.00 0.43 -0.02 -1.25 -2.48 135.00 137.51 3kqx n PRO 135 Ca 0.20 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3kqx n PRO 135 Cb 0.50 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 3kqx n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 136 N 4.35 2.75 3.55 -1.23 0.00 -0.75 -4.98 105.19 108.87 3kqx n GLY 136 Ca 0.20 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 3kqx n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s LYS 137 N 0.00 2.99 0.15 1.61 -2.85 -1.04 -5.00 119.74 115.61 3kqx s LYS 137 Ca 0.00 -0.23 -0.31 0.00 -1.00 0.00 0.00 55.97 54.43 3kqx s LYS 137 Cb 0.00 -4.70 -0.10 0.00 -2.06 0.00 0.00 37.83 30.96 3kqx s LYS 137 CO 0.00 -2.59 1.68 -1.21 0.10 0.00 0.00 175.35 173.33 3kqx s GLU 138 N 6.20 4.17 -1.48 1.78 8.01 -1.26 -1.46 118.70 134.65 3kqx s GLU 138 Ca 0.54 2.48 -0.12 0.00 0.01 0.00 0.00 54.97 57.88 3kqx s GLU 138 Cb -0.07 -3.29 0.07 0.00 -4.31 0.00 0.00 34.13 26.53 3kqx s GLU 138 CO 0.07 -0.72 0.81 0.09 0.01 0.00 0.00 175.26 175.53 3kqx n ASN 139 N 4.59 -4.72 -4.45 -0.19 3.02 -1.26 -4.97 115.26 107.28 3kqx n ASN 139 Ca 0.16 -0.62 -0.29 0.00 -0.03 0.00 0.00 54.58 53.79 3kqx n ASN 139 Cb 0.38 -3.80 0.16 0.00 -0.61 0.00 0.00 39.78 35.91 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kqx s GLY 140 N -3.07 1.63 0.72 7.41 0.00 -0.54 -4.57 107.32 108.89 3kqx s GLY 140 Ca 0.56 -0.78 -0.13 0.00 0.00 0.00 0.00 44.72 44.37 3kqx s GLY 140 CO 0.69 -0.11 1.12 2.56 0.00 0.00 0.00 173.10 177.36 3kqx s PRO 141 N -5.47 2.45 0.01 2.90 0.04 -1.26 -1.92 135.00 131.74 3kqx s PRO 141 Ca 0.67 1.38 -0.30 0.00 0.04 0.00 0.00 61.00 62.79 3kqx s PRO 141 Cb -0.11 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3kqx s PRO 141 CO 0.53 -1.52 1.18 0.08 0.04 0.00 0.00 177.00 177.31 3kqx s VAL 142 N -2.48 4.20 -0.16 -0.36 1.01 -0.86 -4.67 120.40 117.08 3kqx s VAL 142 Ca 0.66 1.56 -0.04 0.00 0.00 0.00 0.00 61.98 64.17 3kqx s VAL 142 Cb -0.21 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.22 3kqx s VAL 142 CO 0.47 0.07 0.06 -0.54 0.00 0.00 0.00 175.10 175.17 3kqx s LYS 143 N 1.54 0.25 0.07 2.72 1.02 -1.26 -4.59 119.74 119.49 3kqx s LYS 143 Ca 0.57 -0.12 -0.31 0.00 0.02 0.00 0.00 55.97 56.14 3kqx s LYS 143 Cb -0.27 -1.71 -0.07 0.00 -0.52 0.00 0.00 37.83 35.27 3kqx s LYS 143 CO 0.26 -0.60 1.33 0.42 -0.92 0.00 0.00 175.35 175.85 3kqx s ILE 144 N 2.05 3.60 -0.53 2.17 -1.09 -1.26 -4.93 121.20 121.20 3kqx s ILE 144 Ca 0.02 1.12 0.17 0.00 -2.23 0.00 0.00 60.65 59.73 3kqx s ILE 144 Cb -0.16 -3.72 -0.21 0.00 -1.58 0.00 0.00 42.46 36.79 3kqx s ILE 144 CO -0.08 0.07 0.60 -1.54 -1.23 0.00 0.00 174.94 172.76 3kqx n SER 145 N 4.24 0.88 -4.85 3.58 3.41 -1.26 -5.01 113.62 114.61 3kqx n SER 145 Ca 0.11 -0.60 -0.31 0.00 -0.26 0.00 0.00 58.87 57.81 3kqx n SER 145 Cb 0.44 1.26 0.04 0.00 -0.26 0.00 0.00 64.21 65.68 3kqx n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kqx s SER 146 N -3.03 5.63 0.24 4.04 0.01 -1.26 -5.05 113.70 114.27 3kqx s SER 146 Ca 0.02 1.44 -0.23 0.00 1.31 0.00 0.00 55.95 58.50 3kqx s SER 146 Cb 0.12 -2.36 -0.09 0.00 0.21 0.00 0.00 66.02 63.90 3kqx s SER 146 CO 0.69 -1.26 0.80 -1.59 0.41 0.00 0.00 173.24 172.29 3kqx s LYS 147 N -5.15 4.41 -0.09 12.44 0.00 -1.26 -5.03 119.74 125.05 3kqx s LYS 147 Ca 0.57 1.06 0.02 0.00 0.00 0.00 0.00 55.97 57.63 3kqx s LYS 147 Cb -0.12 -2.93 0.01 0.00 0.00 0.00 0.00 37.83 34.78 3kqx s LYS 147 CO 0.54 0.40 -0.16 0.08 0.00 0.00 0.00 175.35 176.21 3kqx s VAL 148 N -1.47 1.49 -1.18 1.79 1.01 -1.26 -1.66 120.40 119.11 3kqx s VAL 148 Ca 0.44 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 3kqx s VAL 148 Cb -0.19 -1.35 0.15 0.00 0.00 0.00 0.00 36.38 35.00 3kqx s VAL 148 CO 0.23 0.44 2.33 0.59 0.00 0.00 0.00 175.10 178.69 3kqx n ASN 149 N 3.96 7.79 -3.46 3.32 3.02 -0.46 -4.75 115.26 124.67 3kqx n ASN 149 Ca -0.20 -3.24 0.01 0.00 -0.03 0.00 0.00 54.58 51.11 3kqx n ASN 149 Cb 0.52 -1.31 -0.03 0.00 -0.61 0.00 0.00 39.78 38.34 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 0.09 -0.98 0.10 6.41 2.15 -1.26 -4.79 116.67 118.39 3kqx s ASP 150 Ca 0.52 1.15 -0.23 0.00 0.43 0.00 0.00 52.55 54.42 3kqx s ASP 150 Cb 0.21 2.04 -0.11 0.00 -0.30 0.00 0.00 42.92 44.75 3kqx s ASP 150 CO -0.12 -0.19 1.72 0.07 -0.17 0.00 0.00 175.17 176.48 3kqx h LYS 151 N 7.85 -0.07 0.08 4.34 2.10 -1.99 -1.69 116.57 127.20 3kqx h LYS 151 Ca -0.18 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.49 3kqx h LYS 151 Cb 1.12 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 3kqx h LYS 151 CO 0.11 -0.05 -0.14 1.96 -2.00 0.00 0.00 179.45 179.33 3kqx h GLN 152 N -0.07 -0.27 -0.62 0.07 1.08 -1.92 -0.05 115.11 113.34 3kqx h GLN 152 Ca 0.02 0.02 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3kqx h GLN 152 Cb 0.10 0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 3kqx h GLN 152 CO -0.06 -0.18 0.26 0.28 -0.95 0.00 0.00 178.83 178.19 3kqx h VAL 153 N -0.28 1.23 -0.96 -0.54 2.07 -1.80 -0.83 116.25 115.14 3kqx h VAL 153 Ca 0.02 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 66.95 3kqx h VAL 153 Cb 0.30 0.52 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 3kqx h VAL 153 CO -0.08 0.28 0.62 0.28 0.02 0.00 0.00 177.57 178.68 3kqx h SER 154 N 0.87 0.91 -0.24 0.57 0.02 -1.21 0.43 113.55 114.90 3kqx h SER 154 Ca 0.21 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3kqx h SER 154 Cb 0.18 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3kqx h SER 154 CO -0.02 0.53 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.79 3kqx h GLU 155 N 1.00 0.48 0.00 3.45 5.08 0.23 -2.80 114.58 122.02 3kqx h GLU 155 Ca 0.45 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 3kqx h GLU 155 Cb 0.39 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3kqx h GLU 155 CO -0.21 0.71 -0.15 0.35 -1.00 0.00 0.00 179.01 178.71 3kqx h PHE 156 N 0.21 0.00 -0.41 4.33 3.57 -0.64 -2.98 116.94 121.03 3kqx h PHE 156 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3kqx h PHE 156 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3kqx h PHE 156 CO 0.05 0.15 0.00 1.28 -2.23 0.00 0.00 178.31 177.57 3kqx n LEU 157 N -4.18 2.70 -4.73 0.59 4.77 0.09 -4.77 117.00 111.47 3kqx n LEU 157 Ca -0.02 -1.36 -0.36 0.00 -0.03 0.00 0.00 56.01 54.24 3kqx n LEU 157 Cb 0.23 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.01 3kqx n LEU 157 CO 0.35 0.55 0.88 -0.54 -1.33 0.00 0.00 177.39 177.30 3kqx s LYS 158 N -1.58 2.57 0.18 3.23 3.01 -1.13 -4.67 119.74 121.35 3kqx s LYS 158 Ca 0.30 1.98 -0.15 0.00 -1.01 0.00 0.00 55.97 57.09 3kqx s LYS 158 Cb 0.18 -1.86 0.15 0.00 -1.01 0.00 0.00 37.83 35.29 3kqx s LYS 158 CO 0.17 -1.56 1.70 -0.44 0.51 0.00 0.00 175.35 175.73 3kqx h ASP 159 N 0.49 -0.14 -0.78 2.83 3.45 -1.92 -1.35 116.42 119.01 3kqx h ASP 159 Ca -0.50 0.10 0.14 0.00 0.43 0.00 0.00 57.03 57.19 3kqx h ASP 159 Cb 1.32 0.17 -0.09 0.00 -0.56 0.00 0.00 39.33 40.17 3kqx h ASP 159 CO 0.53 -0.03 0.34 -0.33 -1.57 0.00 0.00 179.24 178.18 3kqx h GLU 160 N 0.14 0.49 0.00 3.56 3.07 -1.96 -0.50 114.58 119.38 3kqx h GLU 160 Ca 0.22 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3kqx h GLU 160 Cb 0.32 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3kqx h GLU 160 CO -0.35 0.33 0.00 -0.97 -1.40 0.00 0.00 179.01 176.62 3kqx h ASN 161 N 0.51 0.00 0.08 1.42 -1.24 -1.57 -3.28 115.58 111.50 3kqx h ASN 161 Ca 0.42 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.43 3kqx h ASN 161 Cb 0.61 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.66 3kqx h ASN 161 CO -0.38 0.00 -0.77 0.23 -1.29 0.00 0.00 177.43 175.22 3kqx n MET 162 N -3.04 0.33 0.20 6.67 2.81 -0.30 -4.56 117.12 119.24 3kqx n MET 162 Ca 0.03 -0.26 0.09 0.00 -1.81 0.00 0.00 57.70 55.74 3kqx n MET 162 Cb 0.43 -1.49 0.34 0.00 -0.71 0.00 0.00 33.22 31.78 3kqx n MET 162 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3kqx h GLU 163 N 0.63 0.00 0.00 0.03 4.11 -1.33 -0.13 114.58 117.89 3kqx h GLU 163 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kqx h GLU 163 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 3kqx h GLU 163 CO 0.00 0.26 0.00 0.36 0.07 0.00 0.00 179.01 179.70 3kqx n LYS 164 N -3.31 0.07 -4.68 1.06 2.85 -1.26 -4.76 118.16 108.13 3kqx n LYS 164 Ca 0.01 0.47 -0.33 0.00 -1.05 0.00 0.00 58.31 57.40 3kqx n LYS 164 Cb 0.51 -1.68 -0.12 0.00 -0.65 0.00 0.00 35.03 33.09 3kqx n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kqx s PHE 165 N -3.20 2.87 0.50 5.58 2.99 -0.06 -5.10 117.98 121.57 3kqx s PHE 165 Ca 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 56.93 56.94 3kqx s PHE 165 Cb 0.05 -1.68 -0.01 0.00 0.00 0.00 0.00 43.02 41.38 3kqx s PHE 165 CO 0.18 0.30 0.05 0.54 -0.00 0.00 0.00 175.22 176.29 3kqx s ASN 166 N -0.84 4.17 -0.08 1.36 2.20 -1.26 -2.03 114.94 118.46 3kqx s ASN 166 Ca 0.13 -1.57 0.15 0.00 -0.94 0.00 0.00 52.86 50.63 3kqx s ASN 166 Cb -0.11 0.40 0.51 0.00 -2.00 0.00 0.00 41.25 40.06 3kqx s ASN 166 CO 0.02 -0.84 1.43 1.33 -2.94 0.00 0.00 177.10 176.11 3kqx n VAL 167 N -1.29 1.58 -1.57 3.54 0.24 -0.81 -4.74 118.33 115.28 3kqx n VAL 167 Ca -0.16 -1.27 -0.43 0.00 -2.04 0.00 0.00 64.34 60.44 3kqx n VAL 167 Cb 0.67 0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.54 1.16 -1.68 7.34 4.81 -1.26 -0.72 118.16 128.36 3kqx n LYS 168 Ca 0.19 0.41 -0.46 0.00 -0.87 0.00 0.00 58.31 57.58 3kqx n LYS 168 Cb 0.70 -1.82 -0.04 0.00 0.02 0.00 0.00 35.03 33.89 3kqx n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqx n LEU 169 N 1.02 3.53 0.00 3.14 0.00 -1.26 -1.55 117.00 121.87 3kqx n LEU 169 Ca 0.10 0.99 0.00 0.00 0.00 0.00 0.00 56.01 57.10 3kqx n LEU 169 Cb 0.35 -1.42 0.00 0.00 0.00 0.00 0.00 43.42 42.35 3kqx n LEU 169 CO 0.58 -0.05 0.00 0.61 0.00 0.00 0.00 177.39 178.53 3kqx n GLY 170 N 4.20 1.29 3.79 -3.96 0.00 0.32 -4.97 105.19 105.86 3kqx n GLY 170 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3kqx n GLY 170 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kqx s THR 171 N -2.55 3.50 0.21 2.61 -1.32 -0.60 -4.74 115.64 112.75 3kqx s THR 171 Ca 0.00 0.83 -0.16 0.00 -1.21 0.00 0.00 61.69 61.15 3kqx s THR 171 Cb 0.00 -3.32 0.02 0.00 -1.51 0.00 0.00 72.50 67.69 3kqx s THR 171 CO 0.00 -0.30 0.51 -0.94 -2.21 0.00 0.00 174.62 171.67 3kqx s SER 172 N -2.23 -0.20 -0.02 8.08 1.04 -1.26 -0.30 113.70 118.81 3kqx s SER 172 Ca 0.68 -0.60 -0.22 0.00 0.48 0.00 0.00 55.95 56.29 3kqx s SER 172 Cb -0.19 0.58 0.05 0.00 0.10 0.00 0.00 66.02 66.55 3kqx s SER 172 CO 0.30 -1.07 0.49 -0.54 0.98 0.00 0.00 173.24 173.40 3kqx s LYS 173 N -3.91 0.88 -0.03 4.02 3.01 -1.05 -5.00 119.74 117.66 3kqx s LYS 173 Ca 0.12 -0.03 0.07 0.00 -1.01 0.00 0.00 55.97 55.12 3kqx s LYS 173 Cb -0.01 0.40 -0.02 0.00 -1.01 0.00 0.00 37.83 37.20 3kqx s LYS 173 CO -0.00 -0.27 -0.24 -1.01 0.51 0.00 0.00 175.35 174.34 3kqx s HIS 174 N -1.49 2.19 0.14 3.18 3.76 -1.26 -2.30 115.29 119.51 3kqx s HIS 174 Ca -0.11 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.37 3kqx s HIS 174 Cb -0.02 -1.42 -0.04 0.00 1.11 0.00 0.00 32.58 32.21 3kqx s HIS 174 CO 0.05 -0.09 -0.16 -0.06 -0.85 0.00 0.00 174.74 173.63 3kqx s PHE 175 N -0.41 1.58 -0.04 1.40 2.99 0.13 -4.98 117.98 118.64 3kqx s PHE 175 Ca 0.05 -0.52 -0.00 0.00 0.00 0.00 0.00 56.93 56.46 3kqx s PHE 175 Cb -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 43.02 42.13 3kqx s PHE 175 CO 0.01 0.22 -0.00 -0.47 -0.00 0.00 0.00 175.22 174.97 3kqx s TYR 176 N -2.09 0.47 0.27 0.36 5.04 -1.26 -1.19 117.35 118.96 3kqx s TYR 176 Ca 0.12 -0.06 -0.12 0.00 -2.44 0.00 0.00 57.07 54.56 3kqx s TYR 176 Cb -0.05 -0.57 0.00 0.00 0.35 0.00 0.00 41.96 41.69 3kqx s TYR 176 CO 0.04 -0.20 0.52 0.00 -1.34 0.00 0.00 175.55 174.57 3kqx s MET 177 N 1.33 1.67 -0.15 4.97 0.23 -0.65 -5.00 119.30 121.69 3kqx s MET 177 Ca -0.05 -1.33 -0.10 0.00 -1.03 0.00 0.00 55.69 53.18 3kqx s MET 177 Cb -0.13 0.49 -0.05 0.00 -1.53 0.00 0.00 34.83 33.61 3kqx s MET 177 CO -0.02 -0.71 0.19 -0.06 -2.03 0.00 0.00 175.02 172.39 3kqx s PHE 178 N -3.73 3.51 0.28 3.16 0.08 -1.26 -0.63 117.98 119.39 3kqx s PHE 178 Ca 0.22 0.51 -0.03 0.00 0.12 0.00 0.00 56.93 57.75 3kqx s PHE 178 Cb -0.01 -2.14 0.06 0.00 -0.57 0.00 0.00 43.02 40.35 3kqx s PHE 178 CO 0.11 0.45 0.38 0.27 -0.10 0.00 0.00 175.22 176.33 3kqx n ASN 179 N 2.91 0.19 0.24 1.36 0.23 -0.60 -4.63 115.26 114.95 3kqx n ASN 179 Ca -0.16 -1.24 0.08 0.00 -0.53 0.00 0.00 54.58 52.73 3kqx n ASN 179 Cb 0.53 -0.28 0.63 0.00 -2.08 0.00 0.00 39.78 38.58 3kqx n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kqx h ASP 180 N -0.41 0.03 -0.20 0.53 3.32 -1.91 -0.12 116.42 117.65 3kqx h ASP 180 Ca -0.12 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 3kqx h ASP 180 Cb 0.38 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3kqx h ASP 180 CO 0.10 0.02 0.00 0.59 -1.72 0.00 0.00 179.24 178.23 3kqx n ASN 181 N -4.53 2.42 -4.23 6.45 3.02 -1.26 -4.89 115.26 112.23 3kqx n ASN 181 Ca -0.02 -2.27 -0.33 0.00 -0.03 0.00 0.00 54.58 51.93 3kqx n ASN 181 Cb 0.10 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 38.71 3kqx n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqx n LYS 182 N 0.21 -2.19 -4.65 3.52 2.85 -0.06 -4.97 118.16 112.88 3kqx n LYS 182 Ca 0.09 0.27 -0.34 0.00 -1.05 0.00 0.00 58.31 57.28 3kqx n LYS 182 Cb 0.52 -4.48 -0.11 0.00 -0.65 0.00 0.00 35.03 30.30 3kqx n LYS 182 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3kqx s ASN 183 N -3.86 4.58 0.38 -5.58 6.03 -1.26 -4.89 114.94 110.33 3kqx s ASN 183 Ca 0.37 -0.04 -0.26 0.00 -1.03 0.00 0.00 52.86 51.89 3kqx s ASN 183 Cb -0.21 -1.15 -0.09 0.00 -3.03 0.00 0.00 41.25 36.78 3kqx s ASN 183 CO 0.95 0.36 1.15 -0.94 -2.03 0.00 0.00 177.10 176.59 3kqx s SER 184 N -0.77 6.69 -0.07 3.54 1.04 -1.26 -1.56 113.70 121.31 3kqx s SER 184 Ca 0.12 2.30 -0.07 0.00 0.48 0.00 0.00 55.95 58.78 3kqx s SER 184 Cb -0.11 -2.61 0.02 0.00 0.10 0.00 0.00 66.02 63.41 3kqx s SER 184 CO 0.01 -0.56 0.20 0.54 0.98 0.00 0.00 173.24 174.42 3kqx s VAL 185 N -1.40 0.01 -0.11 5.02 0.11 0.20 -4.78 120.40 119.45 3kqx s VAL 185 Ca 0.55 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.45 3kqx s VAL 185 Cb -0.30 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 3kqx s VAL 185 CO 0.38 -0.06 0.06 0.00 -3.33 0.00 0.00 175.10 172.15 3kqx s ALA 186 N -0.12 3.51 0.10 1.54 0.00 -0.97 -1.64 121.76 124.18 3kqx s ALA 186 Ca -0.02 -0.74 0.03 0.00 0.00 0.00 0.00 51.96 51.23 3kqx s ALA 186 Cb -0.02 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3kqx s ALA 186 CO 0.01 0.53 -0.09 0.08 0.00 0.00 0.00 175.76 176.28 3kqx s VAL 187 N -0.72 0.89 0.11 0.00 1.01 -0.33 -1.70 120.40 119.65 3kqx s VAL 187 Ca 0.12 -1.72 -0.11 0.00 0.00 0.00 0.00 61.98 60.28 3kqx s VAL 187 Cb -0.12 -1.44 0.04 0.00 0.00 0.00 0.00 36.38 34.86 3kqx s VAL 187 CO 0.03 -0.64 0.51 0.61 0.00 0.00 0.00 175.10 175.61 3kqx n GLY 188 N 0.40 1.01 3.27 4.51 0.00 0.78 0.19 105.19 115.35 3kqx n GLY 188 Ca -0.15 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -4.21 -0.08 -0.10 1.61 1.13 -0.97 -1.37 117.35 113.36 3kqx s TYR 189 Ca 0.11 -0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.56 3kqx s TYR 189 Cb -0.02 0.14 -0.00 0.00 -1.10 0.00 0.00 41.96 40.98 3kqx s TYR 189 CO 0.03 -0.62 -0.22 0.08 -2.51 0.00 0.00 175.55 172.31 3kqx s VAL 190 N -3.65 2.23 0.15 -3.49 1.01 -0.83 -2.54 120.40 113.29 3kqx s VAL 190 Ca 0.02 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.74 3kqx s VAL 190 Cb 0.02 -1.86 -0.07 0.00 0.00 0.00 0.00 36.38 34.47 3kqx s VAL 190 CO -0.10 0.56 1.14 -0.83 0.00 0.00 0.00 175.10 175.86 3kqx s GLY 191 N 0.30 2.73 -0.17 4.51 0.00 0.60 -2.53 107.32 112.75 3kqx s GLY 191 Ca -0.16 0.84 0.17 0.00 0.00 0.00 0.00 44.72 45.57 3kqx s GLY 191 CO 0.08 1.78 1.36 0.00 0.00 0.00 0.00 173.10 176.31 3kqx n GLY 193 N -0.72 -1.50 0.00 0.00 0.00 0.10 -4.66 105.19 98.41 3kqx n GLY 193 Ca 0.20 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 0.02 1.42 -4.52 1.61 3.41 -1.26 -1.84 113.62 112.45 3kqx n SER 194 Ca 0.00 -0.42 -0.42 0.00 -0.26 0.00 0.00 58.87 57.77 3kqx n SER 194 Cb 0.00 1.19 -0.08 0.00 -0.26 0.00 0.00 64.21 65.07 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 -2.24 4.95 -1.31 -3.33 1.01 -1.26 -1.81 120.40 116.40 3kqx s VAL 195 Ca 0.01 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.09 3kqx s VAL 195 Cb 0.07 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.39 3kqx s VAL 195 CO 0.40 -0.43 0.92 0.00 0.00 0.00 0.00 175.10 175.99 3kqx n ALA 196 N 5.94 1.24 -3.71 5.51 0.00 -1.26 -4.18 120.51 124.05 3kqx n ALA 196 Ca -0.04 -0.01 -0.35 0.00 0.00 0.00 0.00 53.44 53.04 3kqx n ALA 196 Cb 0.48 -1.03 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 3kqx n ALA 196 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kqx s ASP 197 N -2.69 5.09 -0.15 0.00 -4.77 -1.26 -4.72 116.67 108.17 3kqx s ASP 197 Ca 0.02 -1.70 -0.26 0.00 -3.30 0.00 0.00 52.55 47.30 3kqx s ASP 197 Cb 0.01 -1.78 -0.01 0.00 -1.09 0.00 0.00 42.92 40.05 3kqx s ASP 197 CO 0.03 -0.42 0.88 -0.76 0.70 0.00 0.00 175.17 175.60 3kqx s LEU 198 N 1.18 4.19 1.06 2.11 1.43 -1.26 -5.06 118.68 122.33 3kqx s LEU 198 Ca 0.03 1.27 -0.13 0.00 -1.03 0.00 0.00 54.13 54.28 3kqx s LEU 198 Cb -0.21 -3.32 0.22 0.00 0.03 0.00 0.00 46.19 42.91 3kqx s LEU 198 CO -0.03 -0.41 1.07 -0.94 0.23 0.00 0.00 176.35 176.27 3kqx s SER 199 N 1.13 2.06 0.23 2.29 1.04 -1.26 -4.78 113.70 114.41 3kqx s SER 199 Ca 0.41 1.28 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 3kqx s SER 199 Cb -0.17 -1.99 0.38 0.00 0.10 0.00 0.00 66.02 64.34 3kqx s SER 199 CO 0.14 -3.50 1.74 -0.08 0.98 0.00 0.00 173.24 172.52 3kqx h GLU 200 N -2.14 0.45 -0.20 4.02 4.22 -1.97 -1.22 114.58 117.74 3kqx h GLU 200 Ca -0.57 -0.03 -0.14 0.00 0.08 0.00 0.00 59.36 58.70 3kqx h GLU 200 Cb 1.33 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 3kqx h GLU 200 CO 0.55 0.29 -0.47 0.00 -2.18 0.00 0.00 179.01 177.21 3kqx h ALA 201 N 1.49 0.82 -0.02 2.92 0.00 -1.95 -1.21 119.26 121.31 3kqx h ALA 201 Ca 0.37 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3kqx h ALA 201 Cb 0.51 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kqx h ALA 201 CO -0.35 0.66 0.01 -0.44 0.00 0.00 0.00 179.25 179.13 3kqx h ASP 202 N 0.41 0.02 -0.43 0.00 3.32 -1.78 -2.27 116.42 115.69 3kqx h ASP 202 Ca 0.02 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3kqx h ASP 202 Cb 0.98 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 3kqx h ASP 202 CO 0.09 0.01 0.23 -0.03 -1.72 0.00 0.00 179.24 177.82 3kqx h MET 203 N 0.02 0.63 -0.38 3.56 4.05 -1.05 0.42 114.93 122.18 3kqx h MET 203 Ca 0.01 -0.07 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 3kqx h MET 203 Cb -0.00 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 30.65 3kqx h MET 203 CO -0.00 0.48 -0.03 -0.22 0.23 0.00 0.00 176.91 177.37 3kqx h LYS 204 N 0.64 0.62 -0.46 0.39 1.63 -1.06 -1.17 116.57 117.16 3kqx h LYS 204 Ca 0.16 -0.15 -0.13 0.00 -0.85 0.00 0.00 60.65 59.68 3kqx h LYS 204 Cb 0.05 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.59 3kqx h LYS 204 CO -0.02 0.66 -0.23 0.00 -3.45 0.00 0.00 179.45 176.41 3kqx h ARG 205 N 0.58 0.94 -0.18 1.90 3.08 -0.35 -1.65 114.38 118.70 3kqx h ARG 205 Ca 0.12 -0.40 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 3kqx h ARG 205 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3kqx h ARG 205 CO 0.02 1.06 0.09 0.28 -1.07 0.00 0.00 179.97 180.35 3kqx h VAL 206 N 0.81 1.11 -0.60 2.04 2.07 -1.01 -2.46 116.25 118.21 3kqx h VAL 206 Ca 0.10 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3kqx h VAL 206 Cb 0.79 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 3kqx h VAL 206 CO 0.07 0.11 0.29 0.58 0.02 0.00 0.00 177.57 178.63 3kqx h VAL 207 N 0.17 1.21 -0.90 2.57 2.07 -1.12 -1.86 116.25 118.39 3kqx h VAL 207 Ca 0.06 -0.61 0.06 0.00 0.82 0.00 0.00 66.70 67.03 3kqx h VAL 207 Cb 0.09 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.29 3kqx h VAL 207 CO -0.01 0.25 0.57 -0.07 0.02 0.00 0.00 177.57 178.32 3kqx h LEU 208 N 0.82 0.91 -0.47 2.57 4.07 -1.21 0.12 115.31 122.13 3kqx h LEU 208 Ca 0.21 0.01 -0.12 0.00 0.08 0.00 0.00 57.88 58.05 3kqx h LEU 208 Cb 0.12 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3kqx h LEU 208 CO -0.03 0.59 -0.19 0.28 -1.08 0.00 0.00 178.44 178.01 3kqx h SER 209 N 1.05 0.98 -0.40 -0.43 0.02 -1.14 -2.18 113.55 111.45 3kqx h SER 209 Ca 0.38 -0.39 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3kqx h SER 209 Cb 0.13 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.35 3kqx h SER 209 CO -0.16 1.15 0.11 0.25 -1.14 0.00 0.00 176.83 177.04 3kqx h LEU 210 N 0.80 0.09 -0.83 5.07 5.85 -0.41 -2.60 115.31 123.27 3kqx h LEU 210 Ca 0.11 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3kqx h LEU 210 Cb 0.76 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.81 3kqx h LEU 210 CO 0.06 0.09 0.43 0.58 -0.34 0.00 0.00 178.44 179.25 3kqx h VAL 211 N 0.26 1.25 -0.07 1.05 2.07 -0.75 -0.38 116.25 119.68 3kqx h VAL 211 Ca 0.19 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 67.06 3kqx h VAL 211 Cb 0.19 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3kqx h VAL 211 CO -0.21 0.29 0.06 0.71 0.02 0.00 0.00 177.57 178.44 3kqx h THR 212 N 1.17 0.76 0.00 2.57 1.35 -1.02 0.13 112.91 117.88 3kqx h THR 212 Ca 0.29 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 66.09 3kqx h THR 212 Cb 0.08 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.45 3kqx h THR 212 CO -0.04 0.00 -0.27 0.24 -0.25 0.00 0.00 175.52 175.20 3kqx h MET 213 N 0.00 0.00 0.04 4.72 2.07 -0.82 -3.27 114.93 117.68 3kqx h MET 213 Ca 0.03 0.00 -0.28 0.00 -2.07 0.00 0.00 59.70 57.38 3kqx h MET 213 Cb 0.15 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.85 3kqx h MET 213 CO -0.00 0.27 -1.50 -0.07 1.07 0.00 0.00 176.91 176.68 3kqx h LEU 214 N 0.00 0.15-10.17 1.22 3.38 -0.63 -3.43 115.31 105.82 3kqx h LEU 214 Ca -0.00 -0.23 -0.50 0.00 0.09 0.00 0.00 57.88 57.24 3kqx h LEU 214 Cb 0.93 -0.05 0.08 0.00 0.09 0.00 0.00 40.66 41.70 3kqx h LEU 214 CO 0.04 1.20 0.38 -1.00 0.09 0.00 0.00 178.44 179.15 3kqx s HIS 215 N -2.63 2.81 -0.96 1.13 3.76 -0.43 -3.35 115.29 115.63 3kqx s HIS 215 Ca -0.06 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 3kqx s HIS 215 Cb 0.08 -3.11 0.00 0.00 1.11 0.00 0.00 32.58 30.66 3kqx s HIS 215 CO 0.83 -1.38 0.00 -0.25 -0.85 0.00 0.00 174.74 173.09 3kqx n ASP 216 N -2.01 -3.59 -3.79 1.40 9.92 -1.26 -4.94 116.55 112.27 3kqx n ASP 216 Ca 0.10 0.23 -0.14 0.00 -0.53 0.00 0.00 54.79 54.45 3kqx n ASP 216 Cb 0.52 -3.08 -0.15 0.00 -0.64 0.00 0.00 41.12 37.77 3kqx n ASP 216 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kqx s ASN 217 N -2.02 -0.02 -0.41 -2.24 3.84 -1.21 -5.12 114.94 107.75 3kqx s ASN 217 Ca 0.00 0.14 -0.21 0.00 0.21 0.00 0.00 52.86 53.00 3kqx s ASN 217 Cb 0.00 0.06 0.02 0.00 -0.55 0.00 0.00 41.25 40.77 3kqx s ASN 217 CO 0.00 -0.11 0.67 -1.59 -2.79 0.00 0.00 177.10 173.28 3kqx s LYS 218 N 0.83 3.44 0.02 0.43 -2.85 -1.26 -4.90 119.74 115.44 3kqx s LYS 218 Ca -0.07 -0.18 0.04 0.00 -1.00 0.00 0.00 55.97 54.76 3kqx s LYS 218 Cb -0.09 -3.90 -0.02 0.00 -2.06 0.00 0.00 37.83 31.76 3kqx s LYS 218 CO -0.03 -0.94 -0.11 -0.51 0.10 0.00 0.00 175.35 173.86 3kqx s LEU 219 N 2.88 2.13 0.04 2.77 1.43 -1.26 -5.03 118.68 121.64 3kqx s LEU 219 Ca 0.25 -0.36 0.19 0.00 -1.03 0.00 0.00 54.13 53.17 3kqx s LEU 219 Cb -0.14 -0.46 -0.16 0.00 0.03 0.00 0.00 46.19 45.46 3kqx s LEU 219 CO 0.18 0.02 0.71 -1.54 0.23 0.00 0.00 176.35 175.95 3kqx n SER 220 N 2.17 0.63 -3.74 2.29 3.41 -1.26 -3.61 113.62 113.51 3kqx n SER 220 Ca -0.17 0.27 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 3kqx n SER 220 Cb 0.56 0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 64.96 3kqx n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kqx s LYS 221 N -3.03 0.24 -0.06 4.33 2.20 -1.26 -0.83 119.74 121.35 3kqx s LYS 221 Ca -0.04 0.51 0.03 0.00 -0.36 0.00 0.00 55.97 56.12 3kqx s LYS 221 Cb 0.09 -0.05 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3kqx s LYS 221 CO 0.82 -0.13 -0.15 -1.17 -0.36 0.00 0.00 175.35 174.36 3kqx s LEU 222 N 1.01 2.70 -0.04 5.43 2.96 -0.75 -1.32 118.68 128.67 3kqx s LEU 222 Ca -0.07 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3kqx s LEU 222 Cb -0.08 -1.55 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 3kqx s LEU 222 CO -0.07 0.33 -0.15 0.28 -1.32 0.00 0.00 176.35 175.42 3kqx s THR 223 N -0.62 1.27 -0.14 3.68 -1.32 0.39 -1.40 115.64 117.50 3kqx s THR 223 Ca 0.09 -0.63 -0.00 0.00 -1.21 0.00 0.00 61.69 59.94 3kqx s THR 223 Cb -0.11 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.77 3kqx s THR 223 CO 0.01 0.37 -0.14 -0.69 -2.21 0.00 0.00 174.62 171.96 3kqx s VAL 224 N 0.05 2.90 -0.25 5.08 1.01 0.78 -0.89 120.40 129.08 3kqx s VAL 224 Ca -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.20 3kqx s VAL 224 Cb -0.11 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.06 3kqx s VAL 224 CO 0.02 0.52 0.00 -0.69 0.00 0.00 0.00 175.10 174.95 3kqx s VAL 225 N 0.54 3.54 -0.62 2.92 1.01 0.27 -1.15 120.40 126.90 3kqx s VAL 225 Ca -0.09 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.01 3kqx s VAL 225 Cb -0.16 -2.72 0.05 0.00 0.00 0.00 0.00 36.38 33.55 3kqx s VAL 225 CO 0.04 0.26 0.99 -0.36 0.00 0.00 0.00 175.10 176.02 3kqx s PHE 226 N 1.46 2.69 -0.44 5.22 0.40 -0.40 -0.52 117.98 126.39 3kqx s PHE 226 Ca 0.04 -0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.16 3kqx s PHE 226 Cb -0.16 -4.23 0.58 0.00 0.51 0.00 0.00 43.02 39.73 3kqx s PHE 226 CO -0.01 -1.56 1.78 0.39 0.70 0.00 0.00 175.22 176.53 3kqx n GLU 227 N 7.77 2.28 -4.31 0.44 1.02 -0.69 -4.70 120.64 122.45 3kqx n GLU 227 Ca -0.01 -3.17 -0.16 0.00 -0.02 0.00 0.00 57.16 53.81 3kqx n GLU 227 Cb 0.47 -2.11 -0.10 0.00 -0.02 0.00 0.00 31.44 29.68 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 -3.62 0.71 -0.23 -3.67 -4.36 -1.24 -4.36 121.20 104.44 3kqx s ILE 228 Ca 0.55 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 58.86 3kqx s ILE 228 Cb 0.46 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.69 3kqx s ILE 228 CO 0.05 -0.19 0.08 0.21 0.24 0.00 0.00 174.94 175.33 3kqx s ASN 229 N -3.28 5.35 0.00 4.36 3.84 -1.26 -5.00 114.94 118.94 3kqx s ASN 229 Ca 0.32 -0.11 0.02 0.00 0.21 0.00 0.00 52.86 53.30 3kqx s ASN 229 Cb 0.07 -1.95 -0.01 0.00 -0.55 0.00 0.00 41.25 38.81 3kqx s ASN 229 CO 0.10 0.02 -0.08 0.68 -2.79 0.00 0.00 177.10 175.03 3kqx s VAL 230 N 1.29 0.62 1.04 -5.21 -7.23 -1.26 -4.85 120.40 104.80 3kqx s VAL 230 Ca 0.05 -0.43 -0.16 0.00 -1.81 0.00 0.00 61.98 59.62 3kqx s VAL 230 Cb -0.15 -0.54 0.22 0.00 0.56 0.00 0.00 36.38 36.47 3kqx s VAL 230 CO 0.04 0.11 1.21 1.51 -0.31 0.00 0.00 175.10 177.65 3kqx s ASP 231 N -0.37 2.43 0.23 4.85 3.84 -1.26 -4.80 116.67 121.59 3kqx s ASP 231 Ca 0.02 0.55 -0.07 0.00 -0.00 0.00 0.00 52.55 53.04 3kqx s ASP 231 Cb -0.04 -0.78 0.27 0.00 -1.38 0.00 0.00 42.92 41.00 3kqx s ASP 231 CO -0.00 -3.18 1.86 0.11 -0.00 0.00 0.00 175.17 173.96 3kqx h LYS 232 N -1.94 0.98 -0.52 2.11 1.57 -1.99 -1.50 116.57 115.27 3kqx h LYS 232 Ca -0.46 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.17 3kqx h LYS 232 Cb 1.28 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3kqx h LYS 232 CO 0.42 0.65 -0.03 -0.91 -0.57 0.00 0.00 179.45 179.00 3kqx h ASN 233 N 1.01 0.88 0.78 0.86 2.35 -1.92 -1.44 115.58 118.10 3kqx h ASN 233 Ca 0.34 -0.24 -0.17 0.00 -0.55 0.00 0.00 56.30 55.68 3kqx h ASN 233 Cb 0.06 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 3kqx h ASN 233 CO -0.13 0.96 -0.81 0.25 -1.65 0.00 0.00 177.43 176.04 3kqx h LEU 234 N 0.83 0.03 -0.16 1.61 5.85 -1.84 -0.45 115.31 121.18 3kqx h LEU 234 Ca 0.15 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3kqx h LEU 234 Cb 0.54 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3kqx h LEU 234 CO 0.03 0.83 0.01 0.15 -0.34 0.00 0.00 178.44 179.12 3kqx h PHE 235 N 0.01 0.29 -0.82 1.25 3.57 -1.12 0.21 116.94 120.34 3kqx h PHE 235 Ca -0.01 -0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.48 3kqx h PHE 235 Cb 1.44 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 40.05 3kqx h PHE 235 CO 0.00 0.47 0.52 -0.09 -2.23 0.00 0.00 178.31 176.98 3kqx h ARG 236 N 0.03 0.96 -0.76 1.11 2.43 -1.18 -2.29 114.38 114.67 3kqx h ARG 236 Ca 0.05 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 3kqx h ARG 236 Cb 0.35 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3kqx h ARG 236 CO 0.01 0.63 0.24 0.35 -1.51 0.00 0.00 179.97 179.69 3kqx h PHE 237 N 0.98 1.21 -0.28 2.20 3.57 -0.61 -1.20 116.94 122.82 3kqx h PHE 237 Ca 0.34 -0.12 0.07 0.00 3.53 0.00 0.00 57.97 61.78 3kqx h PHE 237 Cb 0.06 -0.35 -0.07 0.00 2.79 0.00 0.00 35.95 38.37 3kqx h PHE 237 CO -0.03 0.95 -0.26 0.35 -2.23 0.00 0.00 178.31 177.09 3kqx h PHE 238 N 1.13 -0.69 -0.03 0.41 3.57 -0.11 -1.38 116.94 119.84 3kqx h PHE 238 Ca 0.24 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 3kqx h PHE 238 Cb 0.31 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 3kqx h PHE 238 CO 0.03 -0.33 0.02 -0.07 -2.23 0.00 0.00 178.31 175.72 3kqx h LEU 239 N -0.25 0.04 -0.84 0.59 4.07 -1.04 0.33 115.31 118.21 3kqx h LEU 239 Ca 0.15 -0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.14 3kqx h LEU 239 Cb 0.48 -0.01 -0.06 0.00 1.08 0.00 0.00 40.66 42.15 3kqx h LEU 239 CO -0.42 0.06 0.51 -0.33 -1.08 0.00 0.00 178.44 177.19 3kqx h GLU 240 N 0.01 0.90 -0.08 1.13 5.08 -1.17 0.25 114.58 120.69 3kqx h GLU 240 Ca 0.01 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3kqx h GLU 240 Cb 0.03 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.09 3kqx h GLU 240 CO -0.00 0.59 -0.70 1.15 -1.00 0.00 0.00 179.01 179.05 3kqx h THR 241 N 0.92 1.33 -0.02 1.13 2.02 -1.17 -0.74 112.91 116.38 3kqx h THR 241 Ca 0.37 -1.99 0.03 0.00 0.77 0.00 0.00 66.41 65.59 3kqx h THR 241 Cb 0.20 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.82 3kqx h THR 241 CO -0.18 0.61 -0.16 0.25 0.37 0.00 0.00 175.52 176.40 3kqx h LEU 242 N 0.25 -0.47 -0.25 2.58 5.85 -0.63 -0.77 115.31 121.86 3kqx h LEU 242 Ca -0.07 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.76 3kqx h LEU 242 Cb 1.36 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 3kqx h LEU 242 CO 0.14 -0.22 0.04 -0.26 -0.34 0.00 0.00 178.44 177.80 3kqx h PHE 243 N -0.25 0.06 -0.28 1.25 0.04 -0.44 -1.62 116.94 115.68 3kqx h PHE 243 Ca 0.06 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.73 3kqx h PHE 243 Cb 0.33 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3kqx h PHE 243 CO -0.23 0.01 -0.29 -0.92 -0.60 0.00 0.00 178.31 176.28 3kqx h TYR 244 N 0.13 0.84 -0.29 -0.55 3.20 -0.98 -2.22 116.97 117.11 3kqx h TYR 244 Ca 0.12 -0.26 -0.14 0.00 3.14 0.00 0.00 58.73 61.59 3kqx h TYR 244 Cb 0.12 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3kqx h TYR 244 CO -0.17 1.00 -0.40 0.93 -1.64 0.00 0.00 178.16 177.88 3kqx h GLU 245 N 0.44 0.68 -0.27 1.82 4.39 -1.10 -3.23 114.58 117.32 3kqx h GLU 245 Ca 0.04 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.37 3kqx h GLU 245 Cb 0.86 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 3kqx h GLU 245 CO 0.07 0.96 0.09 -0.92 -1.16 0.00 0.00 179.01 178.05 3kqx h TYR 246 N 0.56 0.42 -2.37 4.33 3.20 -1.26 -3.44 116.97 118.42 3kqx h TYR 246 Ca 0.05 -0.04 -0.56 0.00 3.14 0.00 0.00 58.73 61.31 3kqx h TYR 246 Cb 0.93 -0.12 0.05 0.00 1.54 0.00 0.00 36.73 39.13 3kqx h TYR 246 CO 0.04 0.46 0.94 -0.12 -1.64 0.00 0.00 178.16 177.84 3kqx n MET 247 N -4.74 2.42 -4.67 1.82 1.56 -0.84 -5.00 117.12 107.67 3kqx n MET 247 Ca -0.03 0.88 -0.33 0.00 -0.27 0.00 0.00 57.70 57.95 3kqx n MET 247 Cb 0.16 -2.70 -0.14 0.00 2.15 0.00 0.00 33.22 32.69 3kqx n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kqx s THR 248 N 1.68 3.20 -0.49 1.12 2.01 -1.26 -4.96 115.64 116.93 3kqx s THR 248 Ca 0.80 -0.61 -0.22 0.00 0.31 0.00 0.00 61.69 61.97 3kqx s THR 248 Cb -0.60 -2.36 0.04 0.00 0.01 0.00 0.00 72.50 69.59 3kqx s THR 248 CO 0.38 0.52 0.78 -0.62 -0.69 0.00 0.00 174.62 174.99 3kqx s ASP 249 N 0.40 6.33 -0.09 3.53 -1.08 -1.26 -4.87 116.67 119.64 3kqx s ASP 249 Ca -0.09 -0.40 0.13 0.00 -0.52 0.00 0.00 52.55 51.66 3kqx s ASP 249 Cb -0.16 -2.37 0.28 0.00 -1.46 0.00 0.00 42.92 39.21 3kqx s ASP 249 CO 0.05 -0.99 1.19 -0.62 0.52 0.00 0.00 175.17 175.32 3kqx n GLU 250 N 6.77 2.33 -0.20 4.34 1.02 -1.26 -4.73 120.64 128.91 3kqx n GLU 250 Ca -0.00 -2.31 0.16 0.00 -0.02 0.00 0.00 57.16 54.99 3kqx n GLU 250 Cb 0.47 -1.43 0.49 0.00 -0.02 0.00 0.00 31.44 30.95 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 0.73 0.44 -0.54 3.49 3.08 -1.98 -2.61 114.38 116.99 3kqx h ARG 251 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3kqx h ARG 251 Cb 0.95 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3kqx h ARG 251 CO 0.05 0.29 0.00 1.19 -1.07 0.00 0.00 179.97 180.43 3kqx n PHE 252 N -4.50 0.71 -3.20 3.04 3.01 -1.26 -4.94 117.46 110.33 3kqx n PHE 252 Ca 0.16 -0.36 -0.36 0.00 1.01 0.00 0.00 57.45 57.91 3kqx n PHE 252 Cb 0.57 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.98 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 -1.29 4.16 0.00 -1.08 -0.14 -0.99 -4.98 119.74 115.43 3kqx s LYS 253 Ca 0.43 0.73 0.00 0.00 -1.36 0.00 0.00 55.97 55.77 3kqx s LYS 253 Cb 0.23 -2.92 0.00 0.00 -1.68 0.00 0.00 37.83 33.46 3kqx s LYS 253 CO 0.32 0.44 0.00 0.45 -0.76 0.00 0.00 175.35 175.79 3kqx n SER 254 N 0.81 0.00 -0.05 2.83 2.88 -1.26 -4.73 113.62 114.10 3kqx n SER 254 Ca -0.04 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.66 3kqx n SER 254 Cb 0.51 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.80 3kqx n SER 254 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kqx n THR 255 N -1.64 0.00 -2.02 2.46 -2.24 -1.26 -4.07 114.28 105.51 3kqx n THR 255 Ca 0.00 -0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.80 3kqx n THR 255 Cb 0.00 -0.38 0.11 0.00 -2.10 0.00 0.00 70.33 67.96 3kqx n THR 255 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqx n ASP 256 N -0.98 1.34 -4.77 3.42 2.03 -1.26 -5.07 116.55 111.25 3kqx n ASP 256 Ca 0.20 -2.91 -0.40 0.00 0.52 0.00 0.00 54.79 52.19 3kqx n ASP 256 Cb 0.18 -0.41 -0.01 0.00 -0.72 0.00 0.00 41.12 40.17 3kqx n ASP 256 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kqx s LYS 257 N -1.59 4.14 0.00 -0.67 1.02 -1.26 -4.97 119.74 116.42 3kqx s LYS 257 Ca 0.35 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.69 3kqx s LYS 257 Cb 0.36 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3kqx s LYS 257 CO -0.11 -0.42 0.00 -1.71 -0.92 0.00 0.00 175.35 172.19 3kqx n ASN 258 N 0.47 0.00 -4.04 2.83 2.85 -1.26 -5.07 115.26 111.05 3kqx n ASN 258 Ca 0.01 0.00 -0.18 0.00 -0.11 0.00 0.00 54.58 54.30 3kqx n ASN 258 Cb 0.41 0.00 -0.14 0.00 1.24 0.00 0.00 39.78 41.29 3kqx n ASN 258 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3kqx s GLU 262 N 0.12 0.73 -0.01 1.20 -1.05 -1.26 -5.24 118.70 113.19 3kqx s GLU 262 Ca 0.00 -0.42 0.04 0.00 -0.15 0.00 0.00 54.97 54.44 3kqx s GLU 262 Cb 0.00 -0.69 -0.03 0.00 -0.44 0.00 0.00 34.13 32.97 3kqx s GLU 262 CO 0.00 0.18 -0.11 0.71 0.95 0.00 0.00 175.26 176.99 3kqx s TYR 263 N -0.40 2.77 0.60 4.83 2.02 -1.26 -4.90 117.35 121.00 3kqx s TYR 263 Ca 0.02 -0.12 -0.18 0.00 -0.37 0.00 0.00 57.07 56.43 3kqx s TYR 263 Cb -0.05 -1.60 -0.06 0.00 -0.40 0.00 0.00 41.96 39.86 3kqx s TYR 263 CO -0.00 0.28 0.77 0.44 -1.57 0.00 0.00 175.55 175.47 3kqx n ILE 264 N 1.87 3.12 0.40 2.71 -5.35 -1.24 -4.87 119.36 116.00 3kqx n ILE 264 Ca -0.16 -0.50 0.08 0.00 -0.27 0.00 0.00 62.75 61.90 3kqx n ILE 264 Cb 0.52 -0.94 -0.11 0.00 -1.74 0.00 0.00 39.64 37.38 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 -0.65 1.10 -3.98 6.28 4.76 -0.01 -4.64 118.16 121.02 3kqx n LYS 265 Ca 0.13 -0.07 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 3kqx n LYS 265 Cb 0.48 -1.33 -0.14 0.00 -1.84 0.00 0.00 35.03 32.19 3kqx n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqx s HIS 266 N -2.83 0.20 -0.09 2.13 3.76 -0.96 -1.23 115.29 116.26 3kqx s HIS 266 Ca 0.00 -0.03 -0.01 0.00 -0.15 0.00 0.00 55.06 54.88 3kqx s HIS 266 Cb 0.12 -0.16 0.03 0.00 1.11 0.00 0.00 32.58 33.68 3kqx s HIS 266 CO 0.68 -0.02 -0.04 -1.17 -0.85 0.00 0.00 174.74 173.34 3kqx s LEU 267 N 0.08 0.92 -0.09 0.89 2.96 0.18 -1.81 118.68 121.81 3kqx s LEU 267 Ca -0.00 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3kqx s LEU 267 Cb -0.02 -0.65 -0.03 0.00 0.50 0.00 0.00 46.19 45.99 3kqx s LEU 267 CO -0.00 -0.15 -0.08 -0.83 -1.32 0.00 0.00 176.35 173.97 3kqx s GLY 268 N 1.81 1.66 -0.12 7.98 0.00 -0.49 -1.19 107.32 116.97 3kqx s GLY 268 Ca 0.05 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 43.89 3kqx s GLY 268 CO -0.07 -0.50 -0.14 0.14 0.00 0.00 0.00 173.10 172.54 3kqx s VAL 269 N -0.42 1.43 -0.22 1.40 1.01 -0.00 -0.15 120.40 123.45 3kqx s VAL 269 Ca 0.06 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 3kqx s VAL 269 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3kqx s VAL 269 CO 0.02 0.43 0.06 -0.31 0.00 0.00 0.00 175.10 175.30 3kqx s TYR 270 N 1.18 3.13 0.11 5.22 1.51 -0.30 -0.04 117.35 128.15 3kqx s TYR 270 Ca -0.03 -0.23 -0.12 0.00 -1.01 0.00 0.00 57.07 55.68 3kqx s TYR 270 Cb -0.14 -2.17 0.01 0.00 -0.11 0.00 0.00 41.96 39.56 3kqx s TYR 270 CO -0.04 -0.16 0.29 -1.50 -1.11 0.00 0.00 175.55 173.03 3kqx s ILE 271 N 1.11 0.11 0.21 2.71 2.07 -0.70 -1.28 121.20 125.43 3kqx s ILE 271 Ca 0.04 -0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 58.05 3kqx s ILE 271 Cb -0.14 -1.30 -0.09 0.00 0.13 0.00 0.00 42.46 41.06 3kqx s ILE 271 CO 0.03 -0.48 1.23 0.20 -1.91 0.00 0.00 174.94 174.01 3kqx s ASN 272 N -2.84 7.03 -1.22 4.50 0.02 -1.26 -1.14 114.94 120.03 3kqx s ASN 272 Ca 0.05 2.32 -0.00 0.00 -1.02 0.00 0.00 52.86 54.21 3kqx s ASN 272 Cb 0.03 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.69 3kqx s ASN 272 CO -0.11 -0.41 0.97 0.59 0.02 0.00 0.00 177.10 178.17 3kqx n ASN 273 N 2.28 -2.01 -0.35 -1.22 3.02 -1.26 -4.88 115.26 110.85 3kqx n ASN 273 Ca 0.04 -0.64 0.09 0.00 -0.03 0.00 0.00 54.58 54.04 3kqx n ASN 273 Cb 0.44 -5.00 0.27 0.00 -0.61 0.00 0.00 39.78 34.88 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 0.90 1.58 -0.64 5.41 0.00 -1.84 -2.30 119.26 122.36 3kqx h ALA 274 Ca -0.59 0.04 0.14 0.00 0.00 0.00 0.00 54.91 54.49 3kqx h ALA 274 Cb 1.34 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 3kqx h ALA 274 CO 0.51 0.14 0.44 -0.44 0.00 0.00 0.00 179.25 179.90 3kqx h ASP 275 N 0.92 0.25 1.46 0.00 3.32 -1.92 0.14 116.42 120.60 3kqx h ASP 275 Ca 0.52 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.58 3kqx h ASP 275 Cb 0.61 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3kqx h ASP 275 CO -0.29 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 177.37 3kqx h THR 276 N 0.27 0.00 0.00 0.35 1.03 -1.78 -3.26 112.91 109.52 3kqx h THR 276 Ca 0.31 -0.61 0.00 0.00 -0.01 0.00 0.00 66.41 66.10 3kqx h THR 276 Cb 0.84 1.57 0.00 0.00 -1.07 0.00 0.00 68.15 69.49 3kqx h THR 276 CO -0.07 0.00 -1.67 -1.22 -0.01 0.00 0.00 175.52 172.55 3kqx n TYR 277 N -2.65 0.02 -0.18 0.00 4.01 0.45 -4.38 117.16 114.43 3kqx n TYR 277 Ca 0.04 0.01 0.19 0.00 -0.16 0.00 0.00 57.90 57.97 3kqx n TYR 277 Cb 0.41 -0.36 0.55 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.32 0.00 -0.72 1.57 -1.46 0.48 116.57 116.76 3kqx h LYS 278 Ca 0.00 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 3kqx h LYS 278 Cb 0.85 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 3kqx h LYS 278 CO 0.00 0.21 -0.12 0.93 -0.57 0.00 0.00 179.45 179.90 3kqx h GLU 279 N 0.33 0.00 0.00 3.15 4.39 -1.80 -2.72 114.58 117.93 3kqx h GLU 279 Ca 0.40 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 60.05 3kqx h GLU 279 Cb 1.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 3kqx h GLU 279 CO -0.12 0.12 -0.26 0.93 -1.16 0.00 0.00 179.01 178.52 3kqx h GLU 280 N 0.00 0.00 0.32 2.33 4.39 -1.18 -3.32 114.58 117.12 3kqx h GLU 280 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kqx h GLU 280 Cb 0.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 3kqx h GLU 280 CO 0.02 0.26 -0.34 0.28 -1.16 0.00 0.00 179.01 178.07 3kqx h VAL 281 N 0.00 0.29 0.00 3.13 2.07 -1.55 0.23 116.25 120.43 3kqx h VAL 281 Ca -0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 3kqx h VAL 281 Cb 0.97 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3kqx h VAL 281 CO 0.03 0.00 -0.84 -0.33 0.02 0.00 0.00 177.57 176.46 3kqx h GLU 282 N -0.70 0.08 -0.49 1.57 4.39 -1.77 -1.50 114.58 116.16 3kqx h GLU 282 Ca -0.02 -0.09 0.04 0.00 0.34 0.00 0.00 59.36 59.64 3kqx h GLU 282 Cb 0.64 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 3kqx h GLU 282 CO -0.07 0.87 0.25 -0.22 -1.16 0.00 0.00 179.01 178.67 3kqx h LYS 283 N 0.05 0.47 -0.82 2.33 3.64 -1.63 -1.87 116.57 118.75 3kqx h LYS 283 Ca -0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kqx h LYS 283 Cb 1.46 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 3kqx h LYS 283 CO 0.12 0.31 0.53 0.00 -2.27 0.00 0.00 179.45 178.14 3kqx h ALA 284 N 1.27 1.39 -0.51 5.00 0.00 -0.12 -0.97 119.26 125.31 3kqx h ALA 284 Ca 0.22 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kqx h ALA 284 Cb 0.13 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kqx h ALA 284 CO -0.15 0.55 0.06 -0.09 0.00 0.00 0.00 179.25 179.62 3kqx h ARG 285 N 1.12 0.81 -0.19 0.00 2.43 -0.97 0.16 114.38 117.74 3kqx h ARG 285 Ca 0.30 -0.20 -0.11 0.00 -0.81 0.00 0.00 59.98 59.17 3kqx h ARG 285 Cb -0.10 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 3kqx h ARG 285 CO -0.06 0.78 -0.30 0.28 -1.51 0.00 0.00 179.97 179.16 3kqx h VAL 286 N 0.77 1.34 -0.75 0.20 2.07 -0.70 -2.75 116.25 116.44 3kqx h VAL 286 Ca 0.16 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 3kqx h VAL 286 Cb 0.38 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 3kqx h VAL 286 CO 0.01 0.46 0.30 1.88 0.02 0.00 0.00 177.57 180.25 3kqx h TYR 287 N 0.19 1.13 -0.45 1.57 -1.99 -1.07 -0.37 116.97 115.98 3kqx h TYR 287 Ca 0.02 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 3kqx h TYR 287 Cb 0.88 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 3kqx h TYR 287 CO 0.09 0.85 0.23 -0.92 -0.00 0.00 0.00 178.16 178.41 3kqx h TYR 288 N 1.09 0.63 -0.27 4.88 3.20 -0.70 -1.82 116.97 123.98 3kqx h TYR 288 Ca 0.25 -0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.92 3kqx h TYR 288 Cb 0.20 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3kqx h TYR 288 CO 0.02 0.50 -0.54 0.35 -1.64 0.00 0.00 178.16 176.85 3kqx h PHE 289 N 0.58 1.01 -0.83 -3.82 3.57 -1.16 0.18 116.94 116.47 3kqx h PHE 289 Ca 0.15 -0.36 0.06 0.00 3.53 0.00 0.00 57.97 61.36 3kqx h PHE 289 Cb 0.10 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.59 3kqx h PHE 289 CO -0.01 1.17 0.51 0.78 -2.23 0.00 0.00 178.31 178.53 3kqx h GLY 290 N 0.78 1.25 1.03 2.40 0.00 -0.96 0.36 103.07 107.92 3kqx h GLY 290 Ca 0.01 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 3kqx h GLY 290 CO 0.12 0.25 -0.41 -0.84 0.00 0.00 0.00 176.54 175.66 3kqx h THR 291 N 0.94 1.30 -0.42 4.70 2.02 -1.07 -1.88 112.91 118.50 3kqx h THR 291 Ca 0.36 -1.61 -0.14 0.00 0.77 0.00 0.00 66.41 65.80 3kqx h THR 291 Cb 0.16 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3kqx h THR 291 CO -0.17 0.52 -0.28 0.22 0.37 0.00 0.00 175.52 176.17 3kqx h TYR 292 N 0.49 1.04 -0.14 3.16 3.20 -0.24 -0.10 116.97 124.39 3kqx h TYR 292 Ca 0.02 -0.27 0.01 0.00 3.14 0.00 0.00 58.73 61.64 3kqx h TYR 292 Cb 1.01 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3kqx h TYR 292 CO 0.08 1.06 0.05 -0.92 -1.64 0.00 0.00 178.16 176.79 3kqx h TYR 293 N 0.76 0.09 -0.72 -3.82 3.20 -0.30 -0.01 116.97 116.17 3kqx h TYR 293 Ca 0.09 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.04 3kqx h TYR 293 Cb 0.84 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 3kqx h TYR 293 CO 0.05 0.05 0.39 0.00 -1.64 0.00 0.00 178.16 177.00 3kqx h ALA 294 N 1.08 0.99 -0.73 1.82 0.00 -1.04 -2.44 119.26 118.94 3kqx h ALA 294 Ca 0.06 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kqx h ALA 294 Cb 0.03 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3kqx h ALA 294 CO -0.06 0.02 0.46 1.03 0.00 0.00 0.00 179.25 180.70 3kqx h SER 295 N 0.68 0.87 -0.83 0.00 0.87 -0.27 -1.56 113.55 113.31 3kqx h SER 295 Ca 0.34 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.88 3kqx h SER 295 Cb 0.30 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 61.99 3kqx h SER 295 CO -0.23 0.66 0.53 1.56 -0.53 0.00 0.00 176.83 178.82 3kqx h GLN 296 N 1.00 1.02 -0.45 2.24 4.20 -0.56 0.17 115.11 122.73 3kqx h GLN 296 Ca 0.26 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 3kqx h GLN 296 Cb -0.06 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.47 3kqx h GLN 296 CO -0.05 0.68 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.54 3kqx h LEU 297 N 1.05 0.93 0.17 1.46 3.38 -1.08 -1.79 115.31 119.42 3kqx h LEU 297 Ca 0.32 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kqx h LEU 297 Cb -0.03 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3kqx h LEU 297 CO -0.10 1.11 -0.08 0.40 0.09 0.00 0.00 178.44 179.85 3kqx h ILE 298 N 0.75 0.95 -0.12 1.22 2.04 -0.98 -3.19 117.51 118.18 3kqx h ILE 298 Ca 0.11 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3kqx h ILE 298 Cb 0.74 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3kqx h ILE 298 CO 0.06 0.19 0.08 0.00 0.00 0.00 0.00 178.15 178.48 3kqx h ALA 299 N 0.02 1.93 -1.97 1.87 0.00 -0.74 -3.42 119.26 116.95 3kqx h ALA 299 Ca -0.02 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.24 3kqx h ALA 299 Cb 0.49 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.27 3kqx h ALA 299 CO 0.04 0.07 0.86 0.00 0.00 0.00 0.00 179.25 180.22 3kqx n ALA 300 N -2.52 0.55 -1.12 0.00 0.00 -0.68 -4.93 120.51 111.81 3kqx n ALA 300 Ca -0.01 0.39 -0.32 0.00 0.00 0.00 0.00 53.44 53.51 3kqx n ALA 300 Cb 0.09 -2.34 0.11 0.00 0.00 0.00 0.00 19.45 17.31 3kqx n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqx s PRO 301 N 2.37 1.92 0.56 0.00 0.02 -1.26 -4.58 135.00 134.03 3kqx s PRO 301 Ca 0.88 1.38 0.28 0.00 0.02 0.00 0.00 61.00 63.56 3kqx s PRO 301 Cb -0.79 -1.84 1.66 0.00 0.02 0.00 0.00 34.50 33.55 3kqx s PRO 301 CO 0.49 -1.93 2.18 0.77 -0.33 0.00 0.00 177.00 178.18 3kqx h SER 302 N -1.13 0.00 0.03 2.53 0.02 -1.80 0.15 113.55 113.34 3kqx h SER 302 Ca -0.44 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.43 3kqx h SER 302 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 3kqx h SER 302 CO 0.48 0.05 -0.22 -0.55 -1.14 0.00 0.00 176.83 175.46 3kqx h ASN 303 N 0.00 0.32 0.11 3.07 -1.07 -1.93 -3.32 115.58 112.76 3kqx h ASN 303 Ca -0.00 -0.09 -0.21 0.00 0.07 0.00 0.00 56.30 56.07 3kqx h ASN 303 Cb 0.14 -0.09 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 3kqx h ASN 303 CO 0.01 0.55 -1.03 1.88 0.07 0.00 0.00 177.43 178.91 3kqx h TYR 304 N 0.30 0.41 -3.33 4.14 0.05 -1.35 -3.41 116.97 113.78 3kqx h TYR 304 Ca 0.05 -0.30 -0.73 0.00 0.05 0.00 0.00 58.73 57.81 3kqx h TYR 304 Cb 0.55 -0.02 -0.29 0.00 1.01 0.00 0.00 36.73 37.98 3kqx h TYR 304 CO 0.01 1.40 -0.36 0.00 -1.05 0.00 0.00 178.16 178.17 3kqx s ASN 306 N 2.55 3.16 0.50 0.00 2.20 -1.26 -4.30 114.94 117.79 3kqx s ASN 306 Ca 0.07 -1.63 0.20 0.00 -0.94 0.00 0.00 52.86 50.57 3kqx s ASN 306 Cb -0.25 0.42 1.28 0.00 -2.00 0.00 0.00 41.25 40.70 3kqx s ASN 306 CO -0.01 -0.86 2.07 -0.65 -2.94 0.00 0.00 177.10 174.71 3kqx h PRO 307 N 1.70 0.00 0.04 3.55 0.11 -1.88 -0.89 132.00 134.63 3kqx h PRO 307 Ca -0.39 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.65 3kqx h PRO 307 Cb 1.28 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.40 3kqx h PRO 307 CO 0.64 0.12 -0.32 0.28 -0.21 0.00 0.00 178.00 178.50 3kqx h VAL 308 N 0.00 1.64 -0.38 3.15 2.07 -1.95 -3.02 116.25 117.76 3kqx h VAL 308 Ca -0.00 -2.30 -0.07 0.00 0.82 0.00 0.00 66.70 65.15 3kqx h VAL 308 Cb 0.24 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.17 3kqx h VAL 308 CO 0.02 0.62 -0.04 0.77 0.02 0.00 0.00 177.57 178.96 3kqx h SER 309 N -0.67 0.60 -0.30 0.57 4.64 -1.82 -0.54 113.55 116.02 3kqx h SER 309 Ca -0.05 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 60.94 3kqx h SER 309 Cb 1.20 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kqx h SER 309 CO 0.06 0.70 -0.53 0.25 -0.87 0.00 0.00 176.83 176.44 3kqx h LEU 310 N 0.59 0.99 -0.79 5.97 5.85 -1.28 -0.33 115.31 126.31 3kqx h LEU 310 Ca 0.12 -0.52 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 3kqx h LEU 310 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kqx h LEU 310 CO 0.02 1.32 -0.57 0.77 -0.34 0.00 0.00 178.44 179.64 3kqx h SER 311 N 0.69 0.12 -0.45 1.25 4.64 -1.43 -2.21 113.55 116.16 3kqx h SER 311 Ca 0.02 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.25 3kqx h SER 311 Cb 1.14 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3kqx h SER 311 CO 0.12 0.67 0.17 0.78 -0.87 0.00 0.00 176.83 177.70 3kqx h ASN 312 N 0.08 0.63 -0.75 4.97 2.35 -0.94 -1.51 115.58 120.40 3kqx h ASN 312 Ca -0.00 -0.18 0.06 0.00 -0.55 0.00 0.00 56.30 55.63 3kqx h ASN 312 Cb 1.03 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 39.18 3kqx h ASN 312 CO 0.08 0.63 0.44 0.00 -1.65 0.00 0.00 177.43 176.94 3kqx h ALA 313 N 1.02 1.02 -0.81 -0.83 0.00 -0.87 -2.46 119.26 116.33 3kqx h ALA 313 Ca 0.15 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kqx h ALA 313 Cb 0.21 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3kqx h ALA 313 CO -0.01 0.15 0.35 0.00 0.00 0.00 0.00 179.25 179.74 3kqx h ALA 314 N 1.37 1.09 -0.42 0.00 0.00 -1.05 -0.28 119.26 119.97 3kqx h ALA 314 Ca 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kqx h ALA 314 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kqx h ALA 314 CO -0.18 0.66 0.22 0.28 0.00 0.00 0.00 179.25 180.24 3kqx h VAL 315 N 1.17 1.16 -0.66 0.00 2.07 -1.03 -1.63 116.25 117.33 3kqx h VAL 315 Ca 0.27 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kqx h VAL 315 Cb 0.18 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3kqx h VAL 315 CO -0.03 0.17 0.35 -0.08 0.02 0.00 0.00 177.57 178.00 3kqx h GLU 316 N 0.54 0.93 -0.13 1.57 4.81 -1.03 0.53 114.58 121.80 3kqx h GLU 316 Ca 0.15 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3kqx h GLU 316 Cb 0.07 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3kqx h GLU 316 CO -0.02 0.71 -0.00 1.25 -0.73 0.00 0.00 179.01 180.22 3kqx h LEU 317 N 0.90 -0.06 -0.68 1.64 5.85 -0.88 -1.32 115.31 120.76 3kqx h LEU 317 Ca 0.23 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.98 3kqx h LEU 317 Cb 0.07 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3kqx h LEU 317 CO -0.03 -0.01 0.45 0.00 -0.34 0.00 0.00 178.44 178.50 3kqx h ALA 318 N 1.11 0.87 -0.71 1.25 0.00 -0.86 -1.66 119.26 119.27 3kqx h ALA 318 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kqx h ALA 318 Cb 0.08 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3kqx h ALA 318 CO -0.11 0.30 0.19 1.96 0.00 0.00 0.00 179.25 181.59 3kqx h GLN 319 N 0.93 1.11 0.00 0.00 4.20 -0.74 0.77 115.11 121.37 3kqx h GLN 319 Ca 0.25 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 3kqx h GLN 319 Cb -0.10 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3kqx h GLN 319 CO -0.05 0.96 -0.19 0.87 -0.67 0.00 0.00 178.83 179.75 3kqx h LYS 320 N 1.06 0.00 -0.02 1.46 1.57 -0.69 -3.03 116.57 116.91 3kqx h LYS 320 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kqx h LYS 320 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kqx h LYS 320 CO -0.00 0.19 -0.14 1.28 -0.57 0.00 0.00 179.45 180.21 3kqx n LEU 321 N -3.42 2.60 -3.84 2.94 4.77 -0.68 -4.97 117.00 114.41 3kqx n LEU 321 Ca -0.00 -0.93 -0.29 0.00 -0.03 0.00 0.00 56.01 54.76 3kqx n LEU 321 Cb 0.38 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.50 3kqx n LEU 321 CO 0.32 0.45 0.12 0.59 -1.33 0.00 0.00 177.39 177.54 3kqx n ASN 322 N 0.88 -5.04 -4.87 -1.43 3.02 -0.15 -4.95 115.26 102.71 3kqx n ASN 322 Ca 0.12 -0.72 -0.32 0.00 -0.03 0.00 0.00 54.58 53.63 3kqx n ASN 322 Cb 0.53 -4.02 -0.05 0.00 -0.61 0.00 0.00 39.78 35.63 3kqx n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kqx s LEU 323 N -7.25 4.09 0.45 3.41 1.43 0.08 -5.03 118.68 115.87 3kqx s LEU 323 Ca 0.64 1.01 -0.23 0.00 -1.03 0.00 0.00 54.13 54.52 3kqx s LEU 323 Cb -0.32 -3.80 -0.08 0.00 0.03 0.00 0.00 46.19 42.02 3kqx s LEU 323 CO 0.79 -0.15 1.16 -1.61 0.23 0.00 0.00 176.35 176.77 3kqx s GLU 324 N -3.04 3.81 0.01 1.70 8.01 -1.09 -4.59 118.70 123.50 3kqx s GLU 324 Ca 0.49 1.77 -0.20 0.00 0.01 0.00 0.00 54.97 57.04 3kqx s GLU 324 Cb -0.11 -2.44 0.04 0.00 -4.31 0.00 0.00 34.13 27.31 3kqx s GLU 324 CO 0.22 -0.51 0.45 1.52 0.01 0.00 0.00 175.26 176.95 3kqx s TYR 325 N -1.54 -0.33 -0.13 1.61 -0.85 -1.26 -0.96 117.35 113.89 3kqx s TYR 325 Ca 0.63 0.43 -0.08 0.00 -0.52 0.00 0.00 57.07 57.53 3kqx s TYR 325 Cb -0.28 0.24 0.05 0.00 0.38 0.00 0.00 41.96 42.34 3kqx s TYR 325 CO 0.35 -0.54 0.32 0.21 -1.52 0.00 0.00 175.55 174.36 3kqx s LYS 326 N -1.95 0.30 -0.20 -3.49 2.20 -0.04 -5.00 119.74 111.55 3kqx s LYS 326 Ca -0.08 0.62 -0.02 0.00 -0.36 0.00 0.00 55.97 56.13 3kqx s LYS 326 Cb -0.02 -0.05 -0.00 0.00 -1.51 0.00 0.00 37.83 36.25 3kqx s LYS 326 CO 0.02 -0.15 -0.09 0.42 -0.36 0.00 0.00 175.35 175.19 3kqx s ILE 327 N 1.19 3.05 -0.18 5.43 -1.09 -1.26 -1.39 121.20 126.96 3kqx s ILE 327 Ca -0.08 -0.61 -0.15 0.00 -2.23 0.00 0.00 60.65 57.58 3kqx s ILE 327 Cb -0.09 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 3kqx s ILE 327 CO -0.09 0.46 0.34 -0.76 -1.23 0.00 0.00 174.94 173.66 3kqx s LEU 328 N 1.30 4.20 0.61 2.97 1.43 0.04 -4.90 118.68 124.34 3kqx s LEU 328 Ca 0.04 0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.70 3kqx s LEU 328 Cb -0.14 -2.44 0.09 0.00 0.03 0.00 0.00 46.19 43.73 3kqx s LEU 328 CO -0.04 0.02 0.84 -0.83 0.23 0.00 0.00 176.35 176.56 3kqx s GLY 329 N 0.76 1.76 0.23 -3.19 0.00 -1.26 -0.87 107.32 104.75 3kqx s GLY 329 Ca 0.18 -1.93 -0.06 0.00 0.00 0.00 0.00 44.72 42.90 3kqx s GLY 329 CO 0.06 -1.47 1.78 -2.08 0.00 0.00 0.00 173.10 171.39 3kqx h VAL 330 N -0.01 0.85 -0.85 1.40 2.07 -1.96 -1.11 116.25 116.65 3kqx h VAL 330 Ca -0.33 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 3kqx h VAL 330 Cb 1.28 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3kqx h VAL 330 CO 0.41 0.12 0.52 0.11 0.02 0.00 0.00 177.57 178.75 3kqx h LYS 331 N 0.64 1.14 -0.45 1.57 1.79 -1.96 0.16 116.57 119.46 3kqx h LYS 331 Ca 0.37 -0.10 -0.10 0.00 -2.18 0.00 0.00 60.65 58.64 3kqx h LYS 331 Cb 0.39 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.78 3kqx h LYS 331 CO -0.27 0.80 -0.13 0.93 -1.08 0.00 0.00 179.45 179.69 3kqx h GLU 332 N 1.16 0.85 -0.26 3.15 3.07 -1.79 -1.97 114.58 118.78 3kqx h GLU 332 Ca 0.30 -0.30 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 3kqx h GLU 332 Cb -0.06 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.78 3kqx h GLU 332 CO -0.06 0.93 -0.18 -0.07 -1.40 0.00 0.00 179.01 178.24 3kqx h LEU 333 N 0.76 0.45 -0.48 1.33 3.38 -0.48 -0.66 115.31 119.62 3kqx h LEU 333 Ca 0.12 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3kqx h LEU 333 Cb 0.65 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3kqx h LEU 333 CO 0.05 0.65 0.03 -0.33 0.09 0.00 0.00 178.44 178.93 3kqx h GLU 334 N 0.42 0.83 -0.44 1.13 5.08 -0.49 -2.17 114.58 118.95 3kqx h GLU 334 Ca 0.07 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.11 3kqx h GLU 334 Cb 0.56 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3kqx h GLU 334 CO 0.04 0.86 -0.01 0.93 -1.00 0.00 0.00 179.01 179.82 3kqx h GLU 335 N 0.69 0.72 0.00 2.33 5.08 -1.11 -0.76 114.58 121.52 3kqx h GLU 335 Ca 0.14 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3kqx h GLU 335 Cb 0.47 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3kqx h GLU 335 CO 0.02 0.74 0.00 1.28 -1.00 0.00 0.00 179.01 180.05 3kqx n LEU 336 N -4.22 0.00 -2.30 1.33 4.77 -0.27 -4.92 117.00 111.38 3kqx n LEU 336 Ca 0.02 0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.84 3kqx n LEU 336 Cb 0.29 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3kqx n LEU 336 CO 0.41 -0.00 -0.12 0.29 -1.33 0.00 0.00 177.39 176.64 3kqx n LYS 337 N -1.02 -2.74 -1.72 3.23 5.02 -0.29 -4.72 118.16 115.92 3kqx n LYS 337 Ca 0.23 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.92 3kqx n LYS 337 Cb 0.12 -5.36 -0.00 0.00 -0.02 0.00 0.00 35.03 29.77 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqx n MET 338 N -3.11 2.81 0.23 1.97 2.81 -0.95 -2.64 117.12 118.24 3kqx n MET 338 Ca -0.16 -2.58 0.13 0.00 -1.81 0.00 0.00 57.70 53.28 3kqx n MET 338 Cb 0.63 -3.28 0.36 0.00 -0.71 0.00 0.00 33.22 30.23 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 10.16 0.00 0.39 3.03 0.00 -1.72 -1.49 103.07 113.45 3kqx h GLY 339 Ca 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.87 3kqx h GLY 339 CO 1.89 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 178.36 3kqx h ALA 340 N 1.93 0.03 -0.71 3.60 0.00 -1.83 -2.33 119.26 119.94 3kqx h ALA 340 Ca -0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3kqx h ALA 340 Cb 0.84 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3kqx h ALA 340 CO 0.01 -0.09 0.30 -0.92 0.00 0.00 0.00 179.25 178.55 3kqx h TYR 341 N -0.57 1.06 -0.19 0.00 3.20 -1.65 -3.09 116.97 115.73 3kqx h TYR 341 Ca -0.00 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.69 3kqx h TYR 341 Cb 0.74 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3kqx h TYR 341 CO 0.16 0.81 -0.34 -0.07 -1.64 0.00 0.00 178.16 177.08 3kqx h LEU 342 N 1.01 0.41 -0.54 2.82 3.38 -1.32 -3.06 115.31 118.02 3kqx h LEU 342 Ca 0.24 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kqx h LEU 342 Cb 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3kqx h LEU 342 CO -0.02 0.73 0.33 0.28 0.09 0.00 0.00 178.44 179.84 3kqx h SER 343 N 0.35 0.53 -0.82 -0.43 0.02 -1.34 -2.14 113.55 109.72 3kqx h SER 343 Ca 0.04 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.05 3kqx h SER 343 Cb 0.76 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.13 3kqx h SER 343 CO 0.06 0.37 0.50 0.58 -1.14 0.00 0.00 176.83 177.20 3kqx h VAL 344 N 0.65 1.03 -0.00 2.27 2.07 -1.47 -2.72 116.25 118.08 3kqx h VAL 344 Ca 0.21 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3kqx h VAL 344 Cb 0.01 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 3kqx h VAL 344 CO -0.09 0.17 -0.07 0.61 0.02 0.00 0.00 177.57 178.20 3kqx n GLY 345 N -1.32 -1.45 0.41 2.17 0.00 -1.10 -4.24 105.19 99.65 3kqx n GLY 345 Ca 0.11 -0.14 0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.38 0.00 1.61 1.57 -1.05 -0.70 116.57 118.38 3kqx h LYS 346 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kqx h LYS 346 Cb 0.49 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3kqx h LYS 346 CO 0.00 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.54 3kqx n GLY 347 N -1.48 -1.21 3.86 3.86 0.00 -1.24 -4.45 105.19 104.53 3kqx n GLY 347 Ca 0.25 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.43 6.71 0.32 1.61 0.15 -0.27 -4.63 113.70 115.15 3kqx s SER 348 Ca 0.33 1.04 0.26 0.00 0.70 0.00 0.00 55.95 58.28 3kqx s SER 348 Cb 0.21 -2.27 1.01 0.00 -1.71 0.00 0.00 66.02 63.25 3kqx s SER 348 CO 0.44 -0.06 1.77 0.00 1.20 0.00 0.00 173.24 176.59 3kqx h MET 349 N 2.70 0.00 -5.30 5.44 -0.00 -1.90 -3.43 114.93 112.44 3kqx h MET 349 Ca -0.47 0.00 -0.60 0.00 -0.00 0.00 0.00 59.70 58.63 3kqx h MET 349 Cb 1.18 0.00 -0.12 0.00 -0.00 0.00 0.00 31.60 32.66 3kqx h MET 349 CO 0.68 0.00 -0.45 0.71 -0.00 0.00 0.00 176.91 177.84 3kqx s TYR 350 N -3.35 3.41 0.43 -0.10 1.51 -1.26 -4.91 117.35 113.08 3kqx s TYR 350 Ca 0.05 0.38 -0.26 0.00 -1.01 0.00 0.00 57.07 56.22 3kqx s TYR 350 Cb 0.09 -2.21 -0.09 0.00 -0.11 0.00 0.00 41.96 39.64 3kqx s TYR 350 CO 0.46 0.25 1.44 -2.30 -1.11 0.00 0.00 175.55 174.29 3kqx n PRO 351 N 3.63 2.35 -1.66 -1.71 -0.02 -1.26 -4.82 135.00 131.51 3kqx n PRO 351 Ca -0.15 0.83 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 3kqx n PRO 351 Cb 0.52 -2.63 -0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3kqx n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kqx n ASN 352 N 0.01 2.20 -3.76 2.55 4.13 -1.26 -4.53 115.26 114.60 3kqx n ASN 352 Ca 0.04 1.16 -0.19 0.00 1.68 0.00 0.00 54.58 57.28 3kqx n ASN 352 Cb 0.41 -1.43 -0.17 0.00 -1.54 0.00 0.00 39.78 37.05 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 -1.88 0.21 -0.28 3.52 -0.14 -0.87 -4.01 119.74 116.29 3kqx s LYS 353 Ca 0.58 0.19 -0.09 0.00 -1.36 0.00 0.00 55.97 55.29 3kqx s LYS 353 Cb -0.58 -0.56 -0.03 0.00 -1.68 0.00 0.00 37.83 34.97 3kqx s LYS 353 CO 0.60 -0.23 0.13 0.12 -0.76 0.00 0.00 175.35 175.22 3kqx s PHE 354 N 1.56 3.15 -0.05 3.18 2.19 -0.05 -1.63 117.98 126.33 3kqx s PHE 354 Ca -0.02 -0.27 -0.20 0.00 0.33 0.00 0.00 56.93 56.77 3kqx s PHE 354 Cb -0.13 -2.32 -0.05 0.00 -1.31 0.00 0.00 43.02 39.22 3kqx s PHE 354 CO -0.03 -0.32 0.55 0.42 1.83 0.00 0.00 175.22 177.68 3kqx s ILE 355 N 1.67 5.03 -0.27 3.12 1.01 0.14 -0.78 121.20 131.12 3kqx s ILE 355 Ca 0.06 1.14 -0.03 0.00 0.00 0.00 0.00 60.65 61.82 3kqx s ILE 355 Cb -0.16 -3.89 0.09 0.00 0.01 0.00 0.00 42.46 38.51 3kqx s ILE 355 CO 0.07 0.38 0.11 -2.28 0.00 0.00 0.00 174.94 173.22 3kqx s HIS 356 N 0.13 0.68 0.21 3.97 2.46 -0.48 -1.49 115.29 120.77 3kqx s HIS 356 Ca 0.29 -1.00 0.07 0.00 0.47 0.00 0.00 55.06 54.89 3kqx s HIS 356 Cb -0.17 -1.07 -0.04 0.00 -0.13 0.00 0.00 32.58 31.17 3kqx s HIS 356 CO 0.15 -0.78 0.13 -0.51 -2.47 0.00 0.00 174.74 171.25 3kqx s LEU 357 N 1.97 3.68 -0.04 8.88 1.02 -0.13 -0.86 118.68 133.20 3kqx s LEU 357 Ca 0.07 -0.27 -0.00 0.00 0.02 0.00 0.00 54.13 53.95 3kqx s LEU 357 Cb -0.16 -2.26 0.03 0.00 0.02 0.00 0.00 46.19 43.82 3kqx s LEU 357 CO -0.28 0.02 0.02 -0.89 0.02 0.00 0.00 176.35 175.23 3kqx s THR 358 N -1.97 0.14 -0.17 5.49 2.01 -0.13 -0.66 115.64 120.35 3kqx s THR 358 Ca 0.31 0.18 -0.08 0.00 0.31 0.00 0.00 61.69 62.41 3kqx s THR 358 Cb -0.09 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 3kqx s THR 358 CO 0.23 0.17 0.10 -0.47 -0.69 0.00 0.00 174.62 173.96 3kqx s TYR 359 N 1.45 3.38 -0.10 4.92 5.04 0.80 -2.68 117.35 130.15 3kqx s TYR 359 Ca -0.04 0.27 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 3kqx s TYR 359 Cb -0.13 -2.06 0.02 0.00 0.35 0.00 0.00 41.96 40.14 3kqx s TYR 359 CO -0.03 0.35 -0.08 0.21 -1.34 0.00 0.00 175.55 174.66 3kqx s LYS 360 N -0.02 1.46 0.73 4.97 2.20 -1.26 0.20 119.74 128.03 3kqx s LYS 360 Ca 0.08 -0.25 -0.16 0.00 -0.36 0.00 0.00 55.97 55.28 3kqx s LYS 360 Cb -0.12 -1.47 0.04 0.00 -1.51 0.00 0.00 37.83 34.77 3kqx s LYS 360 CO 0.00 -0.20 1.25 -1.12 -0.36 0.00 0.00 175.35 174.92 3kqx s SER 361 N 1.48 4.09 0.43 1.43 0.01 0.29 -5.00 113.70 116.44 3kqx s SER 361 Ca 0.00 2.48 -0.23 0.00 1.31 0.00 0.00 55.95 59.51 3kqx s SER 361 Cb -0.13 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.41 3kqx s SER 361 CO -0.05 -2.34 1.11 -0.54 0.41 0.00 0.00 173.24 171.83 3kqx s LYS 362 N -3.78 3.95 1.97 12.44 1.02 -1.26 -4.84 119.74 129.24 3kqx s LYS 362 Ca 0.78 1.65 0.00 0.00 0.02 0.00 0.00 55.97 58.41 3kqx s LYS 362 Cb -0.33 -2.46 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3kqx s LYS 362 CO 0.45 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.93 3kqx n GLY 363 N 0.38 0.75 3.72 -3.33 0.00 -1.26 -4.56 105.19 100.89 3kqx n GLY 363 Ca 0.06 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.43 3kqx n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kqx s ASP 364 N -4.00 7.01 -0.42 1.61 3.84 -1.26 -5.00 116.67 118.45 3kqx s ASP 364 Ca 0.00 1.21 -0.19 0.00 -0.00 0.00 0.00 52.55 53.57 3kqx s ASP 364 Cb 0.00 -2.42 0.02 0.00 -1.38 0.00 0.00 42.92 39.14 3kqx s ASP 364 CO 0.00 -0.10 0.54 -0.69 -0.00 0.00 0.00 175.17 174.92 3kqx s VAL 365 N 0.69 4.96 -0.13 2.11 1.01 -1.26 -3.43 120.40 124.35 3kqx s VAL 365 Ca 0.37 -0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.45 3kqx s VAL 365 Cb -0.18 -4.11 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 3kqx s VAL 365 CO 0.19 -0.49 0.45 0.29 0.00 0.00 0.00 175.10 175.53 3kqx n LYS 366 N 5.92 0.66 -4.21 2.72 5.02 0.11 -4.94 118.16 123.44 3kqx n LYS 366 Ca -0.04 0.06 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 3kqx n LYS 366 Cb 0.48 -1.64 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 3kqx n LYS 366 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kqx s LYS 367 N -2.84 0.56 -0.13 1.97 -0.14 -0.99 -5.04 119.74 113.13 3kqx s LYS 367 Ca -0.07 -0.38 0.03 0.00 -1.36 0.00 0.00 55.97 54.19 3kqx s LYS 367 Cb 0.09 -0.50 0.01 0.00 -1.68 0.00 0.00 37.83 35.74 3kqx s LYS 367 CO 0.84 0.13 -0.22 0.15 -0.76 0.00 0.00 175.35 175.49 3kqx s LYS 368 N -0.51 2.98 -0.03 1.68 1.02 -1.26 -1.18 119.74 122.44 3kqx s LYS 368 Ca -0.00 -0.85 0.04 0.00 0.02 0.00 0.00 55.97 55.19 3kqx s LYS 368 Cb -0.04 -2.36 -0.01 0.00 -0.52 0.00 0.00 37.83 34.90 3kqx s LYS 368 CO 0.00 0.04 -0.16 0.42 -0.92 0.00 0.00 175.35 174.74 3kqx s ILE 369 N 0.67 1.30 -0.22 2.17 1.01 -0.38 -0.16 121.20 125.60 3kqx s ILE 369 Ca -0.11 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 3kqx s ILE 369 Cb -0.16 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3kqx s ILE 369 CO 0.01 0.37 0.07 0.00 0.00 0.00 0.00 174.94 175.40 3kqx s ALA 370 N -0.08 3.29 -0.26 9.38 0.00 0.02 -0.35 121.76 133.76 3kqx s ALA 370 Ca -0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 3kqx s ALA 370 Cb -0.09 -2.02 -0.00 0.00 0.00 0.00 0.00 23.12 21.01 3kqx s ALA 370 CO 0.01 -0.17 0.03 -0.51 0.00 0.00 0.00 175.76 175.12 3kqx s LEU 371 N 1.03 3.42 -0.18 0.00 1.43 0.27 -0.99 118.68 123.66 3kqx s LEU 371 Ca 0.04 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 3kqx s LEU 371 Cb -0.14 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.26 3kqx s LEU 371 CO 0.03 -0.11 -0.11 -0.69 0.23 0.00 0.00 176.35 175.70 3kqx s VAL 372 N 1.49 2.91 -0.11 -1.59 1.01 0.05 -0.88 120.40 123.28 3kqx s VAL 372 Ca 0.04 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3kqx s VAL 372 Cb -0.16 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 3kqx s VAL 372 CO 0.00 0.49 -0.18 -0.83 0.00 0.00 0.00 175.10 174.58 3kqx s GLY 373 N 1.07 1.45 0.13 4.51 0.00 -0.47 -0.30 107.32 113.71 3kqx s GLY 373 Ca -0.00 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 43.48 3kqx s GLY 373 CO -0.03 -0.27 1.69 1.25 0.00 0.00 0.00 173.10 175.75 3kqx s LYS 374 N 0.31 4.17 -0.52 2.90 2.20 -0.51 -4.08 119.74 124.22 3kqx s LYS 374 Ca -0.14 2.46 0.07 0.00 -0.36 0.00 0.00 55.97 58.00 3kqx s LYS 374 Cb -0.17 -3.40 0.31 0.00 -1.51 0.00 0.00 37.83 33.06 3kqx s LYS 374 CO 0.07 -0.73 0.79 0.41 -0.36 0.00 0.00 175.35 175.53 3kqx n GLY 375 N 4.00 4.57 3.49 5.54 0.00 -1.26 -1.62 105.19 119.91 3kqx n GLY 375 Ca 0.16 -2.35 -0.43 0.00 0.00 0.00 0.00 46.02 43.39 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 -3.08 5.07 -0.37 -0.61 -1.09 -0.88 -1.61 121.20 118.62 3kqx s ILE 376 Ca 0.43 -0.32 0.22 0.00 -2.23 0.00 0.00 60.65 58.75 3kqx s ILE 376 Cb 0.25 -4.06 0.30 0.00 -1.58 0.00 0.00 42.46 37.38 3kqx s ILE 376 CO -0.09 -0.44 1.61 0.71 -1.23 0.00 0.00 174.94 175.49 3kqx h THR 377 N 5.74 0.12 -2.72 2.92 1.35 -1.41 -1.59 112.91 117.31 3kqx h THR 377 Ca -0.26 -1.14 -0.12 0.00 -0.55 0.00 0.00 66.41 64.34 3kqx h THR 377 Cb 1.11 2.03 -0.25 0.00 -1.73 0.00 0.00 68.15 69.31 3kqx h THR 377 CO 0.80 0.07 -0.26 0.12 -0.25 0.00 0.00 175.52 176.00 3kqx s PHE 378 N -3.20 -0.50 -0.39 4.73 5.36 -1.26 -4.44 117.98 118.28 3kqx s PHE 378 Ca 0.06 1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 57.17 3kqx s PHE 378 Cb 0.06 0.19 0.10 0.00 -0.34 0.00 0.00 43.02 43.03 3kqx s PHE 378 CO 0.67 -0.26 0.16 0.34 -1.46 0.00 0.00 175.22 174.68 3kqx s ASP 379 N 0.63 5.14 0.08 6.13 2.15 -1.21 -0.78 116.67 128.80 3kqx s ASP 379 Ca -0.03 -2.02 0.27 0.00 0.43 0.00 0.00 52.55 51.19 3kqx s ASP 379 Cb -0.05 -1.78 0.83 0.00 -0.30 0.00 0.00 42.92 41.62 3kqx s ASP 379 CO -0.04 -0.50 1.69 -1.54 -0.17 0.00 0.00 175.17 174.61 3kqx n SER 380 N 4.52 0.44 0.00 -0.34 3.41 -0.74 -4.80 113.62 116.11 3kqx n SER 380 Ca -0.01 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3kqx n SER 380 Cb 0.42 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3kqx n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqx n GLY 381 N 1.42 3.36 7.00 5.00 0.00 -1.26 -0.97 105.19 119.73 3kqx n GLY 381 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3kqx n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 382 N -1.70 0.81 0.35 -0.02 0.00 -1.26 -2.51 105.19 100.86 3kqx n GLY 382 Ca 0.00 -0.68 0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 0.29 0.00 1.61 0.05 -1.83 -0.61 116.97 116.48 3kqx h TYR 383 Ca 0.00 0.01 -0.69 0.00 0.05 0.00 0.00 58.73 58.10 3kqx h TYR 383 Cb 0.00 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 3kqx h TYR 383 CO 0.00 0.13 3.45 0.09 -1.05 0.00 0.00 178.16 180.78 3kqx n ASN 384 N -4.45 6.08 -4.77 3.88 4.13 -1.22 -4.97 115.26 113.93 3kqx n ASN 384 Ca 0.09 -2.71 -0.41 0.00 1.68 0.00 0.00 54.58 53.23 3kqx n ASN 384 Cb 0.42 -1.60 -0.00 0.00 -1.54 0.00 0.00 39.78 37.06 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 4.96 4.78 -4.58 3.41 7.94 -0.24 -4.50 117.00 128.78 3kqx n LEU 385 Ca 0.64 1.22 -0.29 0.00 -1.11 0.00 0.00 56.01 56.47 3kqx n LEU 385 Cb 0.31 -1.62 -0.06 0.00 0.53 0.00 0.00 43.42 42.58 3kqx n LEU 385 CO 0.88 0.19 1.54 -0.54 -1.11 0.00 0.00 177.39 178.35 3kqx s LYS 386 N -1.88 2.61 -0.00 1.96 1.02 -0.14 -4.53 119.74 118.78 3kqx s LYS 386 Ca 0.55 -1.21 0.09 0.00 0.02 0.00 0.00 55.97 55.41 3kqx s LYS 386 Cb -0.47 -5.26 -0.12 0.00 -0.52 0.00 0.00 37.83 31.46 3kqx s LYS 386 CO 0.62 -3.83 0.32 0.00 -0.92 0.00 0.00 175.35 171.53 3kqx n ALA 387 N 13.90 2.87 -1.80 5.17 0.00 -1.26 -4.61 120.51 134.78 3kqx n ALA 387 Ca 0.45 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.31 3kqx n ALA 387 Cb 0.47 -0.33 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 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 -2.15 2.91 0.16 0.00 0.00 -1.26 -4.95 121.76 116.46 3kqx s ALA 388 Ca 0.01 0.56 -0.34 0.00 0.00 0.00 0.00 51.96 52.19 3kqx s ALA 388 Cb 0.07 -3.23 -0.14 0.00 0.00 0.00 0.00 23.12 19.81 3kqx s ALA 388 CO 0.38 -0.22 1.55 -2.30 0.00 0.00 0.00 175.76 175.17 3kqx n PRO 389 N -0.90 2.04 -0.38 0.00 -0.02 -1.26 -1.73 135.00 132.76 3kqx n PRO 389 Ca 0.09 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3kqx n PRO 389 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.27 0.93 0.10 -1.23 0.00 -1.26 -4.93 105.19 102.06 3kqx n GLY 390 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3kqx n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqx n SER 391 N 0.00 0.75 -3.82 1.61 3.41 -0.70 -4.95 113.62 109.92 3kqx n SER 391 Ca 0.00 0.58 -0.24 0.00 -0.26 0.00 0.00 58.87 58.95 3kqx n SER 391 Cb 0.00 -0.78 0.01 0.00 -0.26 0.00 0.00 64.21 63.18 3kqx n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqx n MET 392 N -2.22 -4.37 0.30 4.33 2.81 -1.26 -4.86 117.12 111.85 3kqx n MET 392 Ca 0.05 0.54 0.16 0.00 -1.81 0.00 0.00 57.70 56.64 3kqx n MET 392 Cb 0.41 -4.98 0.93 0.00 -0.71 0.00 0.00 33.22 28.87 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 -1.87 0.48 0.00 2.02 2.10 -1.93 -0.76 117.51 117.55 3kqx h ILE 393 Ca -0.61 -0.04 0.00 0.00 1.08 0.00 0.00 64.86 65.28 3kqx h ILE 393 Cb 1.37 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 3kqx h ILE 393 CO 0.60 0.01 0.00 -0.90 -1.08 0.00 0.00 178.15 176.78 3kqx n ASP 394 N -3.76 0.10 0.01 2.19 5.75 -1.26 -2.32 116.55 117.27 3kqx n ASP 394 Ca -0.03 0.52 0.12 0.00 -0.01 0.00 0.00 54.79 55.39 3kqx n ASP 394 Cb 0.09 -0.54 0.18 0.00 -1.03 0.00 0.00 41.12 39.81 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 -1.61 0.59 0.00 -2.12 7.94 -0.29 -4.59 117.00 116.92 3kqx n LEU 395 Ca 0.04 -0.06 0.13 0.00 -1.11 0.00 0.00 56.01 55.01 3kqx n LEU 395 Cb 0.22 -0.20 0.77 0.00 0.53 0.00 0.00 43.42 44.74 3kqx n LEU 395 CO 0.18 0.13 0.95 0.23 -1.11 0.00 0.00 177.39 177.76 3kqx n MET 396 N -1.57 0.81 0.20 1.96 2.81 -0.98 -1.51 117.12 118.86 3kqx n MET 396 Ca 0.05 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.07 3kqx n MET 396 Cb 0.35 -1.50 0.70 0.00 -0.71 0.00 0.00 33.22 32.07 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 -0.07 0.03 2.10 -1.81 -2.82 116.57 114.01 3kqx h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqx h LYS 397 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kqx h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqx n PHE 398 N -2.42 0.08 1.68 0.07 -0.00 -0.57 -3.94 117.46 112.35 3kqx n PHE 398 Ca -0.02 -0.04 0.09 0.00 -0.00 0.00 0.00 57.45 57.49 3kqx n PHE 398 Cb 0.08 0.00 0.55 0.00 -0.00 0.00 0.00 39.48 40.10 3kqx n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqx n ASP 399 N 0.13 0.00 -1.39 5.98 2.03 -1.07 -1.17 116.55 121.06 3kqx n ASP 399 Ca 0.18 -1.11 -0.04 0.00 0.52 0.00 0.00 54.79 54.35 3kqx n ASP 399 Cb 0.32 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.96 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 -0.84 2.57 -0.01 -0.67 0.00 -0.60 -2.08 117.12 115.49 3kqx n MET 400 Ca 0.14 -3.05 0.02 0.00 0.00 0.00 0.00 57.70 54.81 3kqx n MET 400 Cb 0.06 -1.95 0.36 0.00 0.00 0.00 0.00 33.22 31.70 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 1.56 0.49 -0.18 3.17 0.02 -1.30 -0.43 113.55 116.89 3kqx h SER 401 Ca 0.22 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3kqx h SER 401 Cb 1.89 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 3kqx h SER 401 CO 0.51 0.44 -0.05 1.23 -1.14 0.00 0.00 176.83 177.82 3kqx h GLY 402 N 0.69 0.38 0.90 -3.77 0.00 -1.76 -1.34 103.07 98.18 3kqx h GLY 402 Ca 0.14 -0.32 0.03 0.00 0.00 0.00 0.00 47.33 47.18 3kqx h GLY 402 CO -0.02 0.29 0.54 0.00 0.00 0.00 0.00 176.54 177.36 3kqx h ALA 404 N 1.34 0.31 -0.57 0.00 0.00 -0.93 -0.90 119.26 118.51 3kqx h ALA 404 Ca 0.33 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.34 3kqx h ALA 404 Cb -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3kqx h ALA 404 CO -0.11 -0.32 0.26 0.00 0.00 0.00 0.00 179.25 179.08 3kqx h ALA 405 N 1.18 0.73 -0.79 0.00 0.00 -1.00 0.98 119.26 120.37 3kqx h ALA 405 Ca 0.12 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kqx h ALA 405 Cb 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3kqx h ALA 405 CO -0.14 -0.12 0.45 0.28 0.00 0.00 0.00 179.25 179.72 3kqx h VAL 406 N 0.48 1.23 -0.17 0.00 2.07 -1.04 0.24 116.25 119.06 3kqx h VAL 406 Ca 0.27 -0.55 -0.20 0.00 0.82 0.00 0.00 66.70 67.03 3kqx h VAL 406 Cb 0.25 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3kqx h VAL 406 CO -0.22 0.25 -0.70 -0.07 0.02 0.00 0.00 177.57 176.85 3kqx h LEU 407 N 1.09 0.82 -0.80 2.57 -0.00 -0.83 -1.24 115.31 116.92 3kqx h LEU 407 Ca 0.28 -0.51 0.07 0.00 -0.00 0.00 0.00 57.88 57.72 3kqx h LEU 407 Cb 0.01 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 40.36 3kqx h LEU 407 CO -0.05 1.29 0.48 1.23 -0.00 0.00 0.00 178.44 181.39 3kqx h GLY 408 N 0.79 1.21 0.99 0.83 0.00 -0.73 -1.49 103.07 104.66 3kqx h GLY 408 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3kqx h GLY 408 CO 0.14 0.21 0.31 0.00 0.00 0.00 0.00 176.54 177.20 3kqx h ALA 410 N 1.15 1.44 0.18 0.00 0.00 -0.84 0.31 119.26 121.50 3kqx h ALA 410 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.09 3kqx h ALA 410 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3kqx h ALA 410 CO -0.03 0.42 -0.24 -0.92 0.00 0.00 0.00 179.25 178.48 3kqx h TYR 411 N 1.13 -0.62 -0.14 0.00 3.20 -0.89 0.17 116.97 119.82 3kqx h TYR 411 Ca 0.42 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.31 3kqx h TYR 411 Cb 0.18 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3kqx h TYR 411 CO -0.00 -0.34 0.04 0.00 -1.64 0.00 0.00 178.16 176.22 3kqx h VAL 413 N 0.11 1.21 -0.09 0.00 2.07 -0.40 0.21 116.25 119.37 3kqx h VAL 413 Ca 0.06 -0.69 0.03 0.00 0.82 0.00 0.00 66.70 66.92 3kqx h VAL 413 Cb 0.04 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3kqx h VAL 413 CO -0.06 0.21 0.07 1.23 0.02 0.00 0.00 177.57 179.04 3kqx h GLY 414 N 0.09 0.00 0.32 2.17 0.00 -0.57 0.84 103.07 105.91 3kqx h GLY 414 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.10 3kqx h GLY 414 CO 0.00 0.00 -1.55 -0.84 0.00 0.00 0.00 176.54 174.15 3kqx h THR 415 N 0.00 0.83 0.00 4.70 2.02 -0.73 -3.38 112.91 116.35 3kqx h THR 415 Ca 0.04 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.95 3kqx h THR 415 Cb 0.19 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 3kqx h THR 415 CO -0.00 0.60 -0.26 -0.07 0.37 0.00 0.00 175.52 176.16 3kqx h LEU 416 N -0.49 0.00 -2.41 2.58 3.38 -0.41 -3.49 115.31 114.47 3kqx h LEU 416 Ca -0.37 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.27 3kqx h LEU 416 Cb 1.65 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.55 3kqx h LEU 416 CO -0.05 0.00 -0.86 0.29 0.09 0.00 0.00 178.44 177.91 3kqx n LYS 417 N -2.96 -3.01 -1.28 1.13 5.02 0.27 -4.96 118.16 112.37 3kqx n LYS 417 Ca 0.03 0.74 -0.35 0.00 -2.02 0.00 0.00 58.31 56.71 3kqx n LYS 417 Cb 0.53 -5.36 0.10 0.00 -0.02 0.00 0.00 35.03 30.28 3kqx n LYS 417 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kqx n PRO 418 N -3.72 0.41 -2.82 1.97 -0.04 -1.26 -5.02 135.00 124.52 3kqx n PRO 418 Ca -0.14 0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 63.28 3kqx n PRO 418 Cb 0.63 -2.29 0.01 0.00 -0.04 0.00 0.00 33.50 31.82 3kqx n PRO 418 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kqx s GLU 419 N -3.57 3.08 -2.12 0.54 2.02 -1.26 -4.61 118.70 112.77 3kqx s GLU 419 Ca 0.73 -0.31 0.00 0.00 0.02 0.00 0.00 54.97 55.41 3kqx s GLU 419 Cb -0.33 -2.48 0.00 0.00 0.10 0.00 0.00 34.13 31.43 3kqx s GLU 419 CO 0.51 -0.36 0.00 0.09 0.02 0.00 0.00 175.26 175.52 3kqx n ASN 420 N -2.21 -5.53 -4.20 -0.19 3.02 -1.22 -4.97 115.26 99.96 3kqx n ASN 420 Ca 0.02 0.44 -0.16 0.00 -0.03 0.00 0.00 54.58 54.84 3kqx n ASN 420 Cb 0.57 -4.80 -0.11 0.00 -0.61 0.00 0.00 39.78 34.84 3kqx n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kqx s VAL 421 N -2.80 1.11 -0.11 2.41 -7.23 -1.26 0.04 120.40 112.56 3kqx s VAL 421 Ca 0.00 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 58.57 3kqx s VAL 421 Cb 0.00 -1.37 0.02 0.00 0.56 0.00 0.00 36.38 35.59 3kqx s VAL 421 CO 0.00 -0.45 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.50 3kqx s GLU 422 N -2.56 2.09 -0.11 4.82 2.12 -0.32 -0.54 118.70 124.19 3kqx s GLU 422 Ca 0.05 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.90 3kqx s GLU 422 Cb -0.05 -1.82 0.01 0.00 0.26 0.00 0.00 34.13 32.52 3kqx s GLU 422 CO 0.02 -0.09 -0.21 0.42 -0.54 0.00 0.00 175.26 174.86 3kqx s ILE 423 N 1.08 1.85 -0.19 -3.70 -1.09 0.13 -1.24 121.20 118.04 3kqx s ILE 423 Ca -0.05 -0.88 -0.07 0.00 -2.23 0.00 0.00 60.65 57.42 3kqx s ILE 423 Cb -0.15 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.07 3kqx s ILE 423 CO -0.03 0.51 0.06 -1.00 -1.23 0.00 0.00 174.94 173.26 3kqx s HIS 424 N 0.60 3.23 -0.34 3.97 3.76 0.52 -0.14 115.29 126.89 3kqx s HIS 424 Ca -0.14 0.03 -0.05 0.00 -0.15 0.00 0.00 55.06 54.75 3kqx s HIS 424 Cb -0.17 -2.09 0.04 0.00 1.11 0.00 0.00 32.58 31.48 3kqx s HIS 424 CO 0.04 0.11 0.09 -0.06 -0.85 0.00 0.00 174.74 174.07 3kqx s PHE 425 N 0.47 3.27 -0.01 1.40 0.08 0.16 -0.57 117.98 122.78 3kqx s PHE 425 Ca 0.03 -1.55 0.07 0.00 0.12 0.00 0.00 56.93 55.60 3kqx s PHE 425 Cb -0.13 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 3kqx s PHE 425 CO 0.01 -0.76 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.65 3kqx s LEU 426 N 1.37 2.05 -0.20 -0.37 1.43 -0.06 -0.96 118.68 121.94 3kqx s LEU 426 Ca -0.02 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 3kqx s LEU 426 Cb -0.20 -1.09 0.08 0.00 0.03 0.00 0.00 46.19 45.02 3kqx s LEU 426 CO 0.02 0.25 0.44 -0.55 0.23 0.00 0.00 176.35 176.74 3kqx s SER 427 N -0.55 -0.41 -1.02 2.29 0.15 -0.55 -1.37 113.70 112.23 3kqx s SER 427 Ca 0.08 1.02 -0.21 0.00 0.70 0.00 0.00 55.95 57.54 3kqx s SER 427 Cb -0.08 1.23 0.08 0.00 -1.71 0.00 0.00 66.02 65.54 3kqx s SER 427 CO -0.01 -0.22 1.37 0.00 1.20 0.00 0.00 173.24 175.59 3kqx s ALA 428 N 2.23 3.00 -0.01 5.45 0.00 -1.26 0.28 121.76 131.45 3kqx s ALA 428 Ca -0.05 -2.50 -0.26 0.00 0.00 0.00 0.00 51.96 49.15 3kqx s ALA 428 Cb -0.11 -4.38 -0.04 0.00 0.00 0.00 0.00 23.12 18.59 3kqx s ALA 428 CO -0.13 -3.38 0.81 0.08 0.00 0.00 0.00 175.76 173.14 3kqx s VAL 429 N 4.12 4.88 0.33 0.00 1.01 -0.65 -4.10 120.40 125.99 3kqx s VAL 429 Ca 0.42 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.94 3kqx s VAL 429 Cb -0.01 -4.16 0.05 0.00 0.00 0.00 0.00 36.38 32.26 3kqx s VAL 429 CO -0.08 0.26 0.82 0.00 0.00 0.00 0.00 175.10 176.10 3kqx s GLU 431 N -2.56 1.63 -0.39 0.00 2.12 -1.26 -1.14 118.70 117.09 3kqx s GLU 431 Ca 0.16 -0.70 -0.11 0.00 0.36 0.00 0.00 54.97 54.67 3kqx s GLU 431 Cb -0.05 -1.56 0.04 0.00 0.26 0.00 0.00 34.13 32.83 3kqx s GLU 431 CO 0.10 0.41 0.23 1.21 -0.54 0.00 0.00 175.26 176.67 3kqx s ASN 432 N -0.43 5.72 0.23 -1.70 2.47 0.04 -4.39 114.94 116.88 3kqx s ASN 432 Ca 0.07 -1.16 0.01 0.00 0.42 0.00 0.00 52.86 52.20 3kqx s ASN 432 Cb -0.08 -2.02 -0.05 0.00 -1.45 0.00 0.00 41.25 37.65 3kqx s ASN 432 CO -0.01 -0.44 0.09 -0.04 -3.72 0.00 0.00 177.10 172.98 3kqx s MET 433 N 1.52 1.31 -0.19 0.43 -1.94 -1.26 -1.80 119.30 117.36 3kqx s MET 433 Ca 0.02 -1.69 -0.04 0.00 -1.71 0.00 0.00 55.69 52.26 3kqx s MET 433 Cb -0.21 -0.13 -0.02 0.00 2.01 0.00 0.00 34.83 36.48 3kqx s MET 433 CO 0.05 -0.29 -0.02 0.08 -0.01 0.00 0.00 175.02 174.83 3kqx s VAL 434 N -3.84 3.80 0.12 -6.03 1.01 -1.26 -4.54 120.40 109.67 3kqx s VAL 434 Ca 0.36 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 3kqx s VAL 434 Cb 0.07 -2.71 0.07 0.00 0.00 0.00 0.00 36.38 33.82 3kqx s VAL 434 CO 0.12 0.44 0.87 -0.55 0.00 0.00 0.00 175.10 175.98 3kqx s SER 435 N 0.97 -0.28 0.62 3.32 0.15 -1.26 -4.99 113.70 112.22 3kqx s SER 435 Ca 0.01 -0.26 0.39 0.00 0.70 0.00 0.00 55.95 56.78 3kqx s SER 435 Cb -0.14 0.50 2.02 0.00 -1.71 0.00 0.00 66.02 66.68 3kqx s SER 435 CO 0.01 -0.87 2.24 0.07 1.20 0.00 0.00 173.24 175.89 3kqx h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.97 -2.98 116.57 121.14 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 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kqx h LYS 436 CO 0.28 0.02 -0.18 0.09 -2.00 0.00 0.00 179.45 177.66 3kqx n ASN 437 N -3.23 2.25 -4.78 7.07 5.03 -1.26 -5.00 115.26 115.33 3kqx n ASN 437 Ca -0.02 -1.65 -0.33 0.00 0.87 0.00 0.00 54.58 53.45 3kqx n ASN 437 Cb 0.15 0.17 0.03 0.00 -1.02 0.00 0.00 39.78 39.10 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 -2.21 5.43 0.68 6.41 0.01 -1.13 -3.68 113.70 119.22 3kqx s SER 438 Ca 0.26 1.97 -0.15 0.00 1.31 0.00 0.00 55.95 59.35 3kqx s SER 438 Cb 0.19 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.89 3kqx s SER 438 CO 0.42 -1.41 1.14 -0.72 0.41 0.00 0.00 173.24 173.08 3kqx s TYR 439 N -2.27 2.43 0.12 2.43 1.13 -1.26 -4.89 117.35 115.05 3kqx s TYR 439 Ca 0.67 1.57 0.09 0.00 -1.41 0.00 0.00 57.07 57.99 3kqx s TYR 439 Cb -0.20 -3.27 -0.04 0.00 -1.10 0.00 0.00 41.96 37.36 3kqx s TYR 439 CO 0.37 -1.99 -0.16 1.03 -2.51 0.00 0.00 175.55 172.29 3kqx s ARG 440 N -4.03 1.84 0.24 -3.49 0.52 -1.26 -4.66 118.95 108.11 3kqx s ARG 440 Ca 0.69 -1.18 -0.31 0.00 -0.52 0.00 0.00 55.73 54.42 3kqx s ARG 440 Cb -0.23 -2.13 -0.14 0.00 0.52 0.00 0.00 34.95 32.96 3kqx s ARG 440 CO 0.43 0.48 1.23 -2.30 0.02 0.00 0.00 175.30 175.15 3kqx n PRO 441 N 0.70 1.61 0.00 3.54 -0.02 -1.26 -1.58 135.00 137.99 3kqx n PRO 441 Ca -0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3kqx n PRO 441 Cb 0.53 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 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 1.77 3.20 3.74 -1.23 0.00 0.80 -5.03 105.19 108.44 3kqx n GLY 442 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3kqx n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqx n ASP 443 N 0.06 3.35 -4.61 1.61 9.92 -0.61 -4.52 116.55 121.75 3kqx n ASP 443 Ca 0.00 1.21 -0.35 0.00 -0.53 0.00 0.00 54.79 55.12 3kqx n ASP 443 Cb 0.00 -1.56 -0.10 0.00 -0.64 0.00 0.00 41.12 38.82 3kqx n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqx s ILE 444 N -0.98 4.85 0.19 0.53 1.01 -1.26 -1.12 121.20 124.42 3kqx s ILE 444 Ca 0.55 -0.00 0.09 0.00 0.00 0.00 0.00 60.65 61.29 3kqx s ILE 444 Cb -0.52 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3kqx s ILE 444 CO 0.61 0.40 -0.18 0.27 0.00 0.00 0.00 174.94 176.05 3kqx s ILE 445 N 0.80 1.90 -0.17 2.92 -4.36 -0.65 -4.93 121.20 116.71 3kqx s ILE 445 Ca 0.05 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 3kqx s ILE 445 Cb -0.13 -1.98 0.01 0.00 1.25 0.00 0.00 42.46 41.61 3kqx s ILE 445 CO 0.02 -0.40 -0.16 -0.89 0.24 0.00 0.00 174.94 173.75 3kqx s THR 446 N -2.37 2.51 0.75 8.37 2.01 -1.26 -0.52 115.64 125.12 3kqx s THR 446 Ca 0.20 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 3kqx s THR 446 Cb -0.04 -2.07 0.04 0.00 0.01 0.00 0.00 72.50 70.44 3kqx s THR 446 CO 0.08 0.51 1.09 0.00 -0.69 0.00 0.00 174.62 175.61 3kqx s ALA 447 N 1.08 2.49 -0.76 7.40 0.00 -0.62 -2.18 121.76 129.18 3kqx s ALA 447 Ca -0.00 -0.17 0.10 0.00 0.00 0.00 0.00 51.96 51.89 3kqx s ALA 447 Cb -0.14 -3.11 0.48 0.00 0.00 0.00 0.00 23.12 20.35 3kqx s ALA 447 CO -0.05 -1.47 1.31 -1.13 0.00 0.00 0.00 175.76 174.41 3kqx n SER 448 N -3.26 0.20 -1.13 0.00 3.41 -1.08 -0.65 113.62 111.10 3kqx n SER 448 Ca 0.07 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.35 3kqx n SER 448 Cb 0.56 -0.61 0.26 0.00 -0.26 0.00 0.00 64.21 64.16 3kqx n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqx n ASN 449 N -1.75 3.27 0.00 4.04 6.94 -1.26 -4.94 115.26 121.56 3kqx n ASN 449 Ca 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 54.58 52.50 3kqx n ASN 449 Cb 0.06 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 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 1.35 1.52 3.72 4.83 0.00 0.17 -5.03 105.19 111.75 3kqx n GLY 450 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.37 4.41 0.16 1.61 1.02 -1.26 -4.78 119.74 120.53 3kqx s LYS 451 Ca 0.00 1.93 -0.15 0.00 0.02 0.00 0.00 55.97 57.77 3kqx s LYS 451 Cb 0.00 -3.26 -0.07 0.00 -0.52 0.00 0.00 37.83 33.98 3kqx s LYS 451 CO 0.00 -0.26 0.58 0.95 -0.92 0.00 0.00 175.35 175.70 3kqx s THR 452 N 0.60 4.81 -0.07 2.17 -4.23 -1.26 -1.58 115.64 116.07 3kqx s THR 452 Ca 0.58 0.91 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 3kqx s THR 452 Cb -0.34 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 69.77 3kqx s THR 452 CO 0.33 0.24 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.96 3kqx s ILE 453 N -1.47 0.79 -0.27 2.99 1.01 0.32 -1.95 121.20 122.61 3kqx s ILE 453 Ca 0.39 -0.21 -0.22 0.00 0.00 0.00 0.00 60.65 60.61 3kqx s ILE 453 Cb -0.15 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 3kqx s ILE 453 CO 0.19 0.30 0.69 -0.70 0.00 0.00 0.00 174.94 175.43 3kqx s GLU 454 N 1.27 4.05 -0.16 2.79 2.12 -0.22 -1.63 118.70 126.92 3kqx s GLU 454 Ca -0.04 0.57 -0.29 0.00 0.36 0.00 0.00 54.97 55.56 3kqx s GLU 454 Cb -0.14 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.56 3kqx s GLU 454 CO -0.02 -0.52 1.22 0.08 -0.54 0.00 0.00 175.26 175.48 3kqx s VAL 455 N 2.67 4.34 -0.40 3.70 1.01 -0.28 -1.98 120.40 129.46 3kqx s VAL 455 Ca 0.29 1.62 0.19 0.00 0.00 0.00 0.00 61.98 64.08 3kqx s VAL 455 Cb -0.15 -4.05 -0.25 0.00 0.00 0.00 0.00 36.38 31.93 3kqx s VAL 455 CO 0.10 -0.13 0.58 0.61 0.00 0.00 0.00 175.10 176.26 3kqx n GLY 456 N 3.54 -0.81 3.60 4.51 0.00 -1.26 -0.14 105.19 114.64 3kqx n GLY 456 Ca 0.13 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.55 -0.90 0.00 1.61 3.84 -1.26 -4.76 114.94 109.91 3kqx s ASN 457 Ca -0.01 1.32 0.23 0.00 0.21 0.00 0.00 52.86 54.61 3kqx s ASN 457 Cb 0.13 1.78 1.01 0.00 -0.55 0.00 0.00 41.25 43.61 3kqx s ASN 457 CO 0.77 -0.19 1.73 0.35 -2.79 0.00 0.00 177.10 176.97 3kqx n THR 458 N 4.80 0.41 1.39 -5.21 -2.24 -1.26 -1.72 114.28 110.44 3kqx n THR 458 Ca -0.15 0.10 0.14 0.00 -2.27 0.00 0.00 64.05 61.87 3kqx n THR 458 Cb 0.54 -0.72 0.48 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.45 1.11 -2.55 3.42 2.03 -1.04 -3.68 116.55 114.39 3kqx n ASP 459 Ca 0.07 -1.10 -0.30 0.00 0.52 0.00 0.00 54.79 53.98 3kqx n ASP 459 Cb 0.25 0.05 -0.02 0.00 -0.72 0.00 0.00 41.12 40.68 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 -0.37 6.36 0.11 -1.67 0.00 -0.70 -4.71 120.51 119.53 3kqx n ALA 460 Ca 0.16 -3.25 0.02 0.00 0.00 0.00 0.00 53.44 50.36 3kqx n ALA 460 Cb 0.33 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 17.75 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 2.82 0.00 -0.20 0.00 9.09 -1.80 -3.33 114.58 121.16 3kqx h GLU 461 Ca 0.44 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.74 3kqx h GLU 461 Cb 0.55 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 3kqx h GLU 461 CO 1.06 0.46 -0.37 0.78 0.05 0.00 0.00 179.01 180.99 3kqx h GLY 462 N 3.54 0.48 2.00 1.06 0.00 -1.92 -2.01 103.07 106.23 3kqx h GLY 462 Ca -0.05 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.75 3kqx h GLY 462 CO 0.06 0.41 -0.39 0.07 0.00 0.00 0.00 176.54 176.69 3kqx h ARG 463 N 0.37 0.00 -0.42 4.80 0.11 -1.95 -0.80 114.38 116.50 3kqx h ARG 463 Ca 0.04 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.97 3kqx h ARG 463 Cb 0.82 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 3kqx h ARG 463 CO 0.07 0.39 -0.31 -0.07 0.10 0.00 0.00 179.97 180.15 3kqx h LEU 464 N 0.00 1.00 -0.26 0.08 3.38 -1.55 -0.50 115.31 117.45 3kqx h LEU 464 Ca -0.00 -0.44 -0.20 0.00 0.09 0.00 0.00 57.88 57.33 3kqx h LEU 464 Cb 0.85 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kqx h LEU 464 CO 0.05 1.22 -0.70 0.71 0.09 0.00 0.00 178.44 179.81 3kqx h THR 465 N 0.78 1.30 -0.73 0.22 1.35 -0.96 -3.12 112.91 111.74 3kqx h THR 465 Ca 0.08 -1.93 -0.02 0.00 -0.55 0.00 0.00 66.41 63.99 3kqx h THR 465 Cb 0.89 1.90 -0.03 0.00 -1.73 0.00 0.00 68.15 69.18 3kqx h THR 465 CO 0.08 0.61 0.38 -0.07 -0.25 0.00 0.00 175.52 176.28 3kqx h LEU 466 N 0.52 0.93 -0.23 3.87 3.38 -1.19 -2.26 115.31 120.32 3kqx h LEU 466 Ca -0.03 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3kqx h LEU 466 Cb 1.31 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 3kqx h LEU 466 CO 0.14 0.77 -0.11 0.00 0.09 0.00 0.00 178.44 179.33 3kqx h ALA 467 N 1.19 0.08 -0.36 1.53 0.00 -1.02 0.17 119.26 120.85 3kqx h ALA 467 Ca 0.26 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 3kqx h ALA 467 Cb 0.06 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3kqx h ALA 467 CO -0.04 -0.53 0.04 -0.44 0.00 0.00 0.00 179.25 178.28 3kqx h ASP 468 N -0.09 0.50 0.64 0.00 3.32 -1.52 -2.29 116.42 116.99 3kqx h ASP 468 Ca 0.12 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3kqx h ASP 468 Cb 0.27 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3kqx h ASP 468 CO -0.28 0.55 -0.49 0.00 -1.72 0.00 0.00 179.24 177.29 3kqx h ALA 469 N 1.52 1.06 0.03 3.45 0.00 -0.50 -1.69 119.26 123.14 3kqx h ALA 469 Ca 0.12 -0.45 -0.27 0.00 0.00 0.00 0.00 54.91 54.31 3kqx h ALA 469 Cb 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.02 3kqx h ALA 469 CO 0.00 0.62 -1.09 -0.07 0.00 0.00 0.00 179.25 178.71 3kqx h LEU 470 N 0.00 0.87 -0.12 0.00 3.38 -0.55 -0.08 115.31 118.81 3kqx h LEU 470 Ca -0.00 -0.72 0.01 0.00 0.09 0.00 0.00 57.88 57.25 3kqx h LEU 470 Cb 0.95 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3kqx h LEU 470 CO 0.06 1.53 0.06 0.58 0.09 0.00 0.00 178.44 180.76 3kqx h VAL 471 N 0.35 1.00 -0.50 1.22 2.07 -1.31 -1.21 116.25 117.87 3kqx h VAL 471 Ca -0.14 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3kqx h VAL 471 Cb 1.75 0.86 -0.08 0.00 -1.52 0.00 0.00 31.29 32.30 3kqx h VAL 471 CO 0.21 0.02 0.04 0.22 0.02 0.00 0.00 177.57 178.08 3kqx h TYR 472 N 0.13 0.05 -0.51 1.57 3.20 -1.26 -2.24 116.97 117.91 3kqx h TYR 472 Ca 0.05 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3kqx h TYR 472 Cb 0.01 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3kqx h TYR 472 CO -0.09 -0.07 0.30 0.00 -1.64 0.00 0.00 178.16 176.66 3kqx h ALA 473 N 1.42 0.65 -0.32 1.82 0.00 -0.80 -2.63 119.26 119.40 3kqx h ALA 473 Ca 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3kqx h ALA 473 Cb 0.37 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kqx h ALA 473 CO -0.38 0.14 -0.02 1.49 0.00 0.00 0.00 179.25 180.48 3kqx h GLU 474 N 0.68 0.50 0.00 0.00 4.81 -1.11 -2.19 114.58 117.27 3kqx h GLU 474 Ca 0.18 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kqx h GLU 474 Cb 0.01 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3kqx h GLU 474 CO -0.03 0.54 0.00 1.63 -0.73 0.00 0.00 179.01 180.42 3kqx n LYS 475 N -4.27 0.21 0.03 1.92 5.02 -0.85 -1.99 118.16 118.22 3kqx n LYS 475 Ca 0.01 0.37 0.08 0.00 -2.02 0.00 0.00 58.31 56.75 3kqx n LYS 475 Cb 0.25 -1.85 0.36 0.00 -0.02 0.00 0.00 35.03 33.77 3kqx n LYS 475 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3kqx n LEU 476 N -2.24 0.15 -1.59 -0.35 4.77 -0.82 -4.92 117.00 111.99 3kqx n LEU 476 Ca 0.03 0.54 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 3kqx n LEU 476 Cb 0.28 -0.51 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3kqx n LEU 476 CO 0.23 -0.31 0.04 0.61 -1.33 0.00 0.00 177.39 176.63 3kqx n GLY 477 N 0.06 0.31 3.94 -0.72 0.00 -0.84 -5.04 105.19 102.89 3kqx n GLY 477 Ca 0.03 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.10 5.19 0.05 1.61 0.11 -1.26 -4.97 120.40 118.03 3kqx s VAL 478 Ca 0.04 -0.87 -0.05 0.00 -2.93 0.00 0.00 61.98 58.17 3kqx s VAL 478 Cb -0.02 -3.73 -0.29 0.00 -1.53 0.00 0.00 36.38 30.81 3kqx s VAL 478 CO 0.20 -0.20 1.05 0.44 -3.33 0.00 0.00 175.10 173.26 3kqx h ASP 479 N 1.76 0.46 -3.92 3.54 3.32 -0.95 -3.47 116.42 117.16 3kqx h ASP 479 Ca -0.50 -0.53 -0.27 0.00 0.02 0.00 0.00 57.03 55.75 3kqx h ASP 479 Cb 1.21 -0.15 -0.28 0.00 0.22 0.00 0.00 39.33 40.33 3kqx h ASP 479 CO 0.65 1.42 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.54 3kqx s TYR 480 N -2.64 0.26 -0.15 4.55 2.02 -1.08 -4.00 117.35 116.32 3kqx s TYR 480 Ca -0.06 -0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3kqx s TYR 480 Cb 0.07 -0.17 0.00 0.00 -0.40 0.00 0.00 41.96 41.46 3kqx s TYR 480 CO 0.88 -0.02 -0.18 0.42 -1.57 0.00 0.00 175.55 175.08 3kqx s ILE 481 N -0.19 2.40 -0.11 2.71 1.01 -0.36 -0.80 121.20 125.87 3kqx s ILE 481 Ca -0.00 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3kqx s ILE 481 Cb -0.02 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.47 3kqx s ILE 481 CO -0.00 0.53 -0.18 -0.69 0.00 0.00 0.00 174.94 174.60 3kqx s VAL 482 N 0.81 1.64 0.19 2.92 1.01 -0.16 -1.12 120.40 125.70 3kqx s VAL 482 Ca -0.06 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.25 3kqx s VAL 482 Cb -0.15 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3kqx s VAL 482 CO -0.01 0.47 -0.01 1.51 0.00 0.00 0.00 175.10 177.06 3kqx s ASP 483 N 0.79 4.68 -0.02 3.32 1.47 0.58 -0.77 116.67 126.73 3kqx s ASP 483 Ca -0.10 -0.46 -0.00 0.00 1.18 0.00 0.00 52.55 53.17 3kqx s ASP 483 Cb -0.16 -0.96 0.03 0.00 -0.34 0.00 0.00 42.92 41.49 3kqx s ASP 483 CO 0.01 0.07 0.03 -0.51 0.68 0.00 0.00 175.17 175.46 3kqx s ILE 484 N -1.83 -0.05 -0.25 2.11 2.07 0.59 -0.46 121.20 123.38 3kqx s ILE 484 Ca 0.28 0.23 -0.23 0.00 -1.41 0.00 0.00 60.65 59.52 3kqx s ILE 484 Cb -0.09 -0.10 0.07 0.00 0.13 0.00 0.00 42.46 42.47 3kqx s ILE 484 CO 0.18 0.10 0.68 0.00 -1.91 0.00 0.00 174.94 173.99 3kqx s ALA 485 N 1.19 -1.68 -1.31 1.50 0.00 -0.55 -1.43 121.76 119.49 3kqx s ALA 485 Ca -0.08 1.92 -0.16 0.00 0.00 0.00 0.00 51.96 53.65 3kqx s ALA 485 Cb -0.13 -1.12 0.09 0.00 0.00 0.00 0.00 23.12 21.97 3kqx s ALA 485 CO -0.03 -0.32 1.78 0.25 0.00 0.00 0.00 175.76 177.44 3kqx n THR 486 N 2.76 3.95 -0.08 0.00 -2.24 -1.26 -0.09 114.28 117.31 3kqx n THR 486 Ca -0.14 -4.05 -0.15 0.00 -2.27 0.00 0.00 64.05 57.43 3kqx n THR 486 Cb 0.55 -2.43 -0.10 0.00 -2.10 0.00 0.00 70.33 66.26 3kqx n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqx h LEU 487 N 11.05 0.00 -7.64 3.22 5.85 -1.91 -3.44 115.31 122.43 3kqx h LEU 487 Ca 0.44 -0.56 -0.43 0.00 0.84 0.00 0.00 57.88 58.17 3kqx h LEU 487 Cb 0.80 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.48 3kqx h LEU 487 CO 1.51 1.16 -0.77 0.42 -0.34 0.00 0.00 178.44 180.42 3kqx s THR 488 N -2.23 0.53 0.58 1.05 -4.23 -1.26 -4.97 115.64 105.11 3kqx s THR 488 Ca -0.22 -0.05 0.29 0.00 -1.18 0.00 0.00 61.69 60.53 3kqx s THR 488 Cb 0.02 -0.61 0.39 0.00 1.34 0.00 0.00 72.50 73.65 3kqx s THR 488 CO 0.53 0.25 1.90 1.23 -0.54 0.00 0.00 174.62 177.99 3kqx h GLY 489 N 7.70 0.00 1.69 3.99 0.00 -1.93 -2.03 103.07 112.49 3kqx h GLY 489 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3kqx h GLY 489 CO 0.39 0.00 0.15 0.00 0.00 0.00 0.00 176.54 177.08 3kqx h ALA 490 N 1.48 1.16 -0.49 3.60 0.00 -1.96 -1.81 119.26 121.23 3kqx h ALA 490 Ca 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kqx h ALA 490 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3kqx h ALA 490 CO -0.00 -0.16 0.29 0.52 0.00 0.00 0.00 179.25 179.90 3kqx h MET 491 N 0.00 0.66 -0.50 0.00 2.86 -1.76 -1.14 114.93 115.04 3kqx h MET 491 Ca 0.00 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.71 3kqx h MET 491 Cb 0.31 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 3kqx h MET 491 CO -0.00 0.47 0.35 -0.07 1.06 0.00 0.00 176.91 178.72 3kqx h LEU 492 N 0.67 0.11 0.00 1.22 3.38 -1.55 -0.49 115.31 118.66 3kqx h LEU 492 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kqx h LEU 492 Cb -0.01 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kqx h LEU 492 CO -0.03 0.07 -0.65 1.88 0.09 0.00 0.00 178.44 179.79 3kqx h TYR 493 N 0.13 0.00 0.00 1.13 -1.99 -1.38 -3.20 116.97 111.66 3kqx h TYR 493 Ca 0.24 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.67 3kqx h TYR 493 Cb 0.78 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.46 3kqx h TYR 493 CO -0.00 0.00 -1.96 -1.13 -0.00 0.00 0.00 178.16 175.07 3kqx n SER 494 N -2.16 1.64 -0.01 3.88 3.41 -1.00 -4.82 113.62 114.55 3kqx n SER 494 Ca 0.03 0.28 0.03 0.00 -0.26 0.00 0.00 58.87 58.95 3kqx n SER 494 Cb 0.45 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.67 3kqx n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 495 N -4.07 0.00 0.00 1.04 4.77 -0.54 -5.11 117.00 113.08 3kqx n LEU 495 Ca -0.38 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 3kqx n LEU 495 Cb 0.73 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 3kqx n LEU 495 CO 0.06 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.75 3kqx n GLY 496 N 2.16 -0.01 0.46 -0.72 0.00 -0.31 -4.36 105.19 102.41 3kqx n GLY 496 Ca -0.03 -1.23 0.11 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.11 2.61 -2.24 -1.26 -4.40 114.28 108.88 3kqx n THR 497 Ca 0.00 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.30 3kqx n THR 497 Cb 0.00 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.12 1.97 -4.47 3.42 7.64 -1.26 -4.30 113.62 116.50 3kqx n SER 498 Ca 0.10 0.17 -0.33 0.00 1.01 0.00 0.00 58.87 59.82 3kqx n SER 498 Cb 0.45 -0.71 -0.13 0.00 -1.01 0.00 0.00 64.21 62.81 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 -2.50 2.84 0.59 1.43 4.12 -1.26 -4.59 117.35 117.99 3kqx s TYR 499 Ca -0.34 -0.31 -0.13 0.00 0.02 0.00 0.00 57.07 56.32 3kqx s TYR 499 Cb 0.11 -1.77 -0.05 0.00 -1.52 0.00 0.00 41.96 38.72 3kqx s TYR 499 CO 0.58 0.05 1.02 0.00 0.02 0.00 0.00 175.55 177.21 3kqx s ALA 500 N -0.20 3.07 -0.01 3.71 0.00 -0.86 -4.62 121.76 122.86 3kqx s ALA 500 Ca 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 3kqx s ALA 500 Cb -0.13 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 3kqx s ALA 500 CO 0.03 -0.59 0.07 0.20 0.00 0.00 0.00 175.76 175.48 3kqx s GLY 501 N -3.86 2.00 -0.06 0.00 0.00 -1.13 -0.81 107.32 103.46 3kqx s GLY 501 Ca 0.56 -0.87 0.06 0.00 0.00 0.00 0.00 44.72 44.47 3kqx s GLY 501 CO 0.48 -0.74 -0.24 0.54 0.00 0.00 0.00 173.10 173.14 3kqx s VAL 502 N -1.17 2.01 0.15 1.40 0.11 -0.28 -0.72 120.40 121.90 3kqx s VAL 502 Ca 0.22 -1.04 0.08 0.00 -2.93 0.00 0.00 61.98 58.31 3kqx s VAL 502 Cb -0.12 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.98 3kqx s VAL 502 CO 0.13 0.56 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.92 3kqx s PHE 503 N -0.08 1.74 0.14 1.54 0.08 -0.37 -0.62 117.98 120.41 3kqx s PHE 503 Ca -0.06 -0.48 -0.24 0.00 0.12 0.00 0.00 56.93 56.28 3kqx s PHE 503 Cb -0.14 -0.89 0.08 0.00 -0.57 0.00 0.00 43.02 41.50 3kqx s PHE 503 CO 0.04 0.28 1.07 0.20 -0.10 0.00 0.00 175.22 176.71 3kqx s GLY 504 N -2.50 -0.01 0.00 4.36 0.00 -1.26 -0.72 107.32 107.19 3kqx s GLY 504 Ca 0.13 -0.14 0.14 0.00 0.00 0.00 0.00 44.72 44.85 3kqx s GLY 504 CO 0.06 2.24 1.27 1.16 0.00 0.00 0.00 173.10 177.82 3kqx n ASN 505 N -1.03 3.04 -3.55 1.64 6.94 -0.77 -4.83 115.26 116.70 3kqx n ASN 505 Ca -0.03 -1.92 -0.08 0.00 -0.02 0.00 0.00 54.58 52.52 3kqx n ASN 505 Cb 0.60 -0.25 -0.09 0.00 -2.36 0.00 0.00 39.78 37.68 3kqx n ASN 505 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3kqx s ASN 506 N -1.05 -0.13 0.21 0.53 3.84 -1.26 -4.86 114.94 112.22 3kqx s ASN 506 Ca 0.28 0.76 -0.05 0.00 0.21 0.00 0.00 52.86 54.06 3kqx s ASN 506 Cb 0.15 1.29 0.18 0.00 -0.55 0.00 0.00 41.25 42.33 3kqx s ASN 506 CO 0.21 -0.25 1.63 -0.33 -2.79 0.00 0.00 177.10 175.56 3kqx h GLU 507 N 8.17 0.79 -0.32 0.43 5.08 -1.96 -2.19 114.58 124.59 3kqx h GLU 507 Ca -0.17 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3kqx h GLU 507 Cb 1.12 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 3kqx h GLU 507 CO 0.17 0.93 0.07 0.93 -1.00 0.00 0.00 179.01 180.12 3kqx h GLU 508 N 0.69 0.19 -0.12 2.33 3.07 -1.99 0.30 114.58 119.05 3kqx h GLU 508 Ca 0.10 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.96 3kqx h GLU 508 Cb 0.73 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 3kqx h GLU 508 CO 0.06 0.12 0.04 1.25 -1.40 0.00 0.00 179.01 179.08 3kqx h LEU 509 N 0.19 0.03 -0.24 1.33 5.85 -1.94 -1.57 115.31 118.96 3kqx h LEU 509 Ca 0.15 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3kqx h LEU 509 Cb 0.15 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3kqx h LEU 509 CO -0.18 0.04 -0.08 0.40 -0.34 0.00 0.00 178.44 178.28 3kqx h ILE 510 N 0.09 0.72 -0.75 4.05 2.04 -1.24 -0.31 117.51 122.12 3kqx h ILE 510 Ca 0.05 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.03 3kqx h ILE 510 Cb 0.03 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 3kqx h ILE 510 CO -0.06 0.00 0.49 0.78 0.00 0.00 0.00 178.15 179.37 3kqx h ASN 511 N -0.03 0.49 -0.01 1.72 2.35 -0.73 -0.67 115.58 118.71 3kqx h ASN 511 Ca 0.12 0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.71 3kqx h ASN 511 Cb 0.21 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kqx h ASN 511 CO -0.26 0.28 -0.63 0.11 -1.65 0.00 0.00 177.43 175.28 3kqx h LYS 512 N 0.54 0.62 -0.46 0.81 1.57 -0.29 -0.37 116.57 118.99 3kqx h LYS 512 Ca 0.36 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3kqx h LYS 512 Cb 0.65 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3kqx h LYS 512 CO -0.13 1.06 0.25 0.82 -0.57 0.00 0.00 179.45 180.87 3kqx h ILE 513 N 0.46 1.17 -0.60 1.86 1.08 -0.67 -1.44 117.51 119.36 3kqx h ILE 513 Ca -0.01 -0.45 -0.08 0.00 -0.39 0.00 0.00 64.86 63.94 3kqx h ILE 513 Cb 1.21 0.62 -0.02 0.00 -3.07 0.00 0.00 36.82 35.55 3kqx h ILE 513 CO 0.12 0.18 0.07 -0.07 -0.69 0.00 0.00 178.15 177.77 3kqx h LEU 514 N 0.61 0.95 -0.56 1.44 3.38 -0.79 -0.41 115.31 119.93 3kqx h LEU 514 Ca 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3kqx h LEU 514 Cb 0.07 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3kqx h LEU 514 CO -0.02 0.97 0.34 -0.61 0.09 0.00 0.00 178.44 179.20 3kqx h GLN 515 N 0.93 0.76 0.00 1.13 5.75 -0.91 -1.56 115.11 121.20 3kqx h GLN 515 Ca 0.18 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.55 3kqx h GLN 515 Cb 0.44 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3kqx h GLN 515 CO 0.01 0.55 -0.30 0.77 -2.65 0.00 0.00 178.83 177.21 3kqx h SER 516 N 0.75 0.00 -0.69 -0.69 0.02 -0.88 -1.53 113.55 110.54 3kqx h SER 516 Ca 0.20 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3kqx h SER 516 Cb -0.02 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3kqx h SER 516 CO -0.04 0.30 0.33 -1.28 -1.14 0.00 0.00 176.83 175.00 3kqx h SER 517 N 0.00 0.90 -0.42 3.07 0.87 -0.73 0.23 113.55 117.47 3kqx h SER 517 Ca -0.00 -0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.28 3kqx h SER 517 Cb 0.53 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3kqx h SER 517 CO 0.04 0.79 -0.27 0.50 -0.53 0.00 0.00 176.83 177.35 3kqx h LYS 518 N 0.96 0.94 0.00 2.24 3.64 -0.79 -1.78 116.57 121.78 3kqx h LYS 518 Ca 0.24 -0.43 -0.14 0.00 -1.27 0.00 0.00 60.65 59.05 3kqx h LYS 518 Cb 0.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3kqx h LYS 518 CO -0.03 1.09 -0.79 1.79 -2.27 0.00 0.00 179.45 179.25 3kqx h THR 519 N 0.80 0.93 0.00 1.00 1.35 -1.10 -3.23 112.91 112.67 3kqx h THR 519 Ca 0.09 -2.38 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 3kqx h THR 519 Cb 0.85 2.42 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 3kqx h THR 519 CO 0.07 0.53 -0.49 0.77 -0.25 0.00 0.00 175.52 176.16 3kqx h SER 520 N 0.00 0.00 -2.36 5.36 4.64 -0.60 -3.47 113.55 117.12 3kqx h SER 520 Ca -0.04 -0.08 -0.37 0.00 -0.47 0.00 0.00 61.79 60.82 3kqx h SER 520 Cb 1.50 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.55 3kqx h SER 520 CO 0.07 0.04 -0.45 0.59 -0.87 0.00 0.00 176.83 176.21 3kqx n ASN 521 N -2.46 -5.35 -4.30 4.97 3.02 -0.69 -4.86 115.26 105.58 3kqx n ASN 521 Ca 0.03 0.06 -0.39 0.00 -0.03 0.00 0.00 54.58 54.25 3kqx n ASN 521 Cb 0.48 -4.43 -0.12 0.00 -0.61 0.00 0.00 39.78 35.11 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 -4.70 2.68 0.18 3.52 2.02 -1.08 -4.94 118.70 116.37 3kqx s GLU 522 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 3kqx s GLU 522 Cb 0.00 -3.56 -0.07 0.00 0.10 0.00 0.00 34.13 30.60 3kqx s GLU 522 CO 0.00 -0.69 1.04 -1.25 0.02 0.00 0.00 175.26 174.38 3kqx s PRO 523 N 1.45 4.66 0.09 0.39 0.04 -1.26 -4.56 135.00 135.81 3kqx s PRO 523 Ca -0.00 1.62 0.04 0.00 0.04 0.00 0.00 61.00 62.69 3kqx s PRO 523 Cb -0.19 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.01 3kqx s PRO 523 CO 0.04 0.19 -0.11 0.08 0.04 0.00 0.00 177.00 177.24 3kqx s VAL 524 N -0.37 0.96 -0.04 -0.36 1.01 -1.26 -2.02 120.40 118.33 3kqx s VAL 524 Ca 0.47 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3kqx s VAL 524 Cb -0.27 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3kqx s VAL 524 CO 0.33 -0.48 -0.03 0.86 0.00 0.00 0.00 175.10 175.79 3kqx s TRP 525 N -2.15 0.56 -0.08 5.22 -0.11 0.00 -4.90 118.94 117.49 3kqx s TRP 525 Ca 0.03 -0.12 -0.30 0.00 1.22 0.00 0.00 56.10 56.94 3kqx s TRP 525 Cb -0.05 -0.55 -0.03 0.00 -1.50 0.00 0.00 33.47 31.34 3kqx s TRP 525 CO 0.01 -0.16 1.34 -0.46 -4.62 0.00 0.00 176.95 173.06 3kqx s TRP 526 N 0.93 2.79 0.17 5.86 -0.00 -1.26 -1.12 118.94 126.31 3kqx s TRP 526 Ca -0.11 0.88 0.08 0.00 -0.00 0.00 0.00 56.10 56.95 3kqx s TRP 526 Cb -0.14 -3.59 -0.04 0.00 -0.00 0.00 0.00 33.47 29.70 3kqx s TRP 526 CO -0.00 -2.13 -0.04 -0.51 -0.00 0.00 0.00 176.95 174.27 3kqx s LEU 527 N 3.01 3.20 0.31 5.86 1.43 0.21 -4.89 118.68 127.81 3kqx s LEU 527 Ca 0.60 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 3kqx s LEU 527 Cb -0.27 -1.87 -0.08 0.00 0.03 0.00 0.00 46.19 44.00 3kqx s LEU 527 CO 0.21 0.10 0.67 -2.16 0.23 0.00 0.00 176.35 175.40 3kqx s PRO 528 N -2.83 3.86 -0.44 1.29 0.04 -1.26 -4.41 135.00 131.25 3kqx s PRO 528 Ca 0.26 0.44 -0.16 0.00 0.04 0.00 0.00 61.00 61.59 3kqx s PRO 528 Cb -0.09 -2.51 0.04 0.00 0.04 0.00 0.00 34.50 31.98 3kqx s PRO 528 CO 0.17 0.18 0.37 0.42 0.04 0.00 0.00 177.00 178.18 3kqx s ILE 529 N -2.02 5.20 -0.53 0.56 1.01 -1.26 -4.84 121.20 119.32 3kqx s ILE 529 Ca 0.50 -0.75 -0.22 0.00 0.00 0.00 0.00 60.65 60.19 3kqx s ILE 529 Cb -0.11 -4.04 0.05 0.00 0.01 0.00 0.00 42.46 38.38 3kqx s ILE 529 CO 0.22 -0.45 0.79 -0.63 0.00 0.00 0.00 174.94 174.87 3kqx s ILE 530 N 1.79 4.63 0.29 2.92 1.01 -1.26 -4.91 121.20 125.67 3kqx s ILE 530 Ca 0.06 -0.14 0.29 0.00 0.00 0.00 0.00 60.65 60.86 3kqx s ILE 530 Cb -0.21 -4.43 0.30 0.00 0.01 0.00 0.00 42.46 38.14 3kqx s ILE 530 CO 0.09 -0.98 2.00 0.78 0.00 0.00 0.00 174.94 176.83 3kqx h ASN 531 N 9.17 0.00 -0.59 3.58 2.35 -1.99 -1.85 115.58 126.25 3kqx h ASN 531 Ca -0.27 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.65 3kqx h ASN 531 Cb 1.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 3kqx h ASN 531 CO 1.03 0.13 0.50 -0.08 -1.65 0.00 0.00 177.43 177.36 3kqx h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.05 -1.00 114.58 117.15 3kqx h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqx h GLU 532 Cb 0.48 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.86 3kqx h GLU 532 CO 0.02 0.00 -0.02 0.66 -0.73 0.00 0.00 179.01 178.93 3kqx n TYR 533 N -4.03 0.00 -0.19 0.92 0.53 -0.70 -4.18 117.16 109.52 3kqx n TYR 533 Ca 0.11 0.00 -0.09 0.00 -1.02 0.00 0.00 57.90 56.91 3kqx n TYR 533 Cb 0.73 -0.08 0.05 0.00 -1.03 0.00 0.00 39.34 39.00 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 0.50 1.01 -0.42 -0.72 9.65 -1.35 -2.06 114.38 120.98 3kqx h ARG 534 Ca 0.00 -0.33 0.12 0.00 -1.10 0.00 0.00 59.98 58.67 3kqx h ARG 534 Cb 0.20 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 3kqx h ARG 534 CO 0.00 1.02 0.46 0.00 2.80 0.00 0.00 179.97 184.24 3kqx h ALA 535 N 1.02 2.14 0.00 2.80 0.00 -1.78 -0.82 119.26 122.61 3kqx h ALA 535 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kqx h ALA 535 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kqx h ALA 535 CO 0.04 -0.67 0.00 0.25 0.00 0.00 0.00 179.25 178.86 3kqx n THR 536 N -3.72 0.07 0.25 0.00 -2.24 -0.77 -1.45 114.28 106.41 3kqx n THR 536 Ca 0.08 0.02 0.09 0.00 -2.27 0.00 0.00 64.05 61.97 3kqx n THR 536 Cb 0.63 -0.55 0.26 0.00 -2.10 0.00 0.00 70.33 68.57 3kqx n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqx n LEU 537 N -1.24 3.02 -4.69 3.22 4.77 -0.31 -4.28 117.00 117.49 3kqx n LEU 537 Ca 0.15 -1.48 -0.42 0.00 -0.03 0.00 0.00 56.01 54.22 3kqx n LEU 537 Cb 0.20 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3kqx n LEU 537 CO 0.21 0.74 1.06 0.20 -1.33 0.00 0.00 177.39 178.27 3kqx s ASN 538 N -1.07 6.92 -0.08 -1.43 0.01 -0.53 -0.46 114.94 118.30 3kqx s ASN 538 Ca 0.38 2.01 -0.03 0.00 -0.71 0.00 0.00 52.86 54.51 3kqx s ASN 538 Cb 0.20 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 3kqx s ASN 538 CO 0.26 -0.68 0.07 -0.55 -1.51 0.00 0.00 177.10 174.70 3kqx s SER 539 N 1.75 5.73 0.45 -1.22 0.15 -1.26 -4.70 113.70 114.60 3kqx s SER 539 Ca 0.61 0.26 0.21 0.00 0.70 0.00 0.00 55.95 57.73 3kqx s SER 539 Cb -0.29 -1.71 1.07 0.00 -1.71 0.00 0.00 66.02 63.37 3kqx s SER 539 CO 0.25 0.37 1.93 0.50 1.20 0.00 0.00 173.24 177.49 3kqx h LYS 540 N 4.86 0.00 0.00 5.44 1.63 -1.97 -3.38 116.57 123.14 3kqx h LYS 540 Ca -0.52 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.23 3kqx h LYS 540 Cb 1.20 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.82 3kqx h LYS 540 CO 0.57 0.24 -1.20 0.66 -3.45 0.00 0.00 179.45 176.27 3kqx n TYR 541 N -3.80 0.00 -2.79 1.91 4.01 -1.26 -5.06 117.16 110.17 3kqx n TYR 541 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 3kqx n TYR 541 Cb 0.33 -0.14 0.06 0.00 -0.31 0.00 0.00 39.34 39.28 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 -2.07 4.16 0.34 -0.72 0.00 -1.26 -5.00 121.76 117.20 3kqx s ALA 542 Ca -0.05 -1.69 0.11 0.00 0.00 0.00 0.00 51.96 50.34 3kqx s ALA 542 Cb 0.01 -1.83 0.59 0.00 0.00 0.00 0.00 23.12 21.89 3kqx s ALA 542 CO 0.08 -0.87 1.75 -0.44 0.00 0.00 0.00 175.76 176.29 3kqx h ASP 543 N 0.05 0.02 -4.95 0.00 3.32 -1.71 -3.38 116.42 109.77 3kqx h ASP 543 Ca -0.37 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 3kqx h ASP 543 Cb 1.28 -0.01 -0.19 0.00 0.22 0.00 0.00 39.33 40.63 3kqx h ASP 543 CO 0.45 0.47 0.03 -0.51 -1.72 0.00 0.00 179.24 177.95 3kqx s ILE 544 N -4.01 0.02 0.25 0.35 2.07 -1.00 -4.51 121.20 114.36 3kqx s ILE 544 Ca -0.02 -0.16 -0.18 0.00 -1.41 0.00 0.00 60.65 58.88 3kqx s ILE 544 Cb 0.14 -0.86 -0.08 0.00 0.13 0.00 0.00 42.46 41.78 3kqx s ILE 544 CO 0.74 -0.09 0.72 0.20 -1.91 0.00 0.00 174.94 174.61 3kqx s ASN 545 N -1.17 6.97 0.19 4.50 0.01 0.39 -1.05 114.94 124.78 3kqx s ASN 545 Ca -0.11 1.37 -0.02 0.00 -0.71 0.00 0.00 52.86 53.38 3kqx s ASN 545 Cb -0.02 -2.40 0.12 0.00 0.41 0.00 0.00 41.25 39.36 3kqx s ASN 545 CO 0.08 -0.03 1.50 -0.61 -1.51 0.00 0.00 177.10 176.52 3kqx h GLN 546 N 3.09 0.48 -5.04 -0.60 4.15 -1.73 -3.46 115.11 111.99 3kqx h GLN 546 Ca -0.48 -0.32 -0.36 0.00 0.77 0.00 0.00 58.65 58.26 3kqx h GLN 546 Cb 1.19 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 28.78 3kqx h GLN 546 CO 0.65 0.94 -0.67 0.96 -1.93 0.00 0.00 178.83 178.78 3kqx s ILE 547 N -3.88 1.01 0.01 2.39 -4.36 -1.26 -4.93 121.20 110.18 3kqx s ILE 547 Ca -0.07 -2.03 -0.21 0.00 -0.26 0.00 0.00 60.65 58.08 3kqx s ILE 547 Cb 0.11 -2.23 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 3kqx s ILE 547 CO 0.83 -0.42 0.62 -0.55 0.24 0.00 0.00 174.94 175.66 3kqx s SER 548 N -3.26 7.02 0.07 4.36 0.15 -1.26 -4.75 113.70 116.02 3kqx s SER 548 Ca 0.26 1.21 0.25 0.00 0.70 0.00 0.00 55.95 58.37 3kqx s SER 548 Cb 0.05 -2.38 0.48 0.00 -1.71 0.00 0.00 66.02 62.47 3kqx s SER 548 CO 0.07 0.11 1.41 -1.54 1.20 0.00 0.00 173.24 174.48 3kqx n SER 549 N 2.64 0.57 -0.05 5.45 3.41 -1.26 -4.55 113.62 119.82 3kqx n SER 549 Ca -0.07 0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.51 3kqx n SER 549 Cb 0.51 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.51 3kqx n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqx n SER 550 N -1.83 2.53 -4.78 4.04 3.41 -1.26 -5.02 113.62 110.70 3kqx n SER 550 Ca 0.04 -0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.27 3kqx n SER 550 Cb 0.39 0.70 -0.06 0.00 -0.26 0.00 0.00 64.21 64.98 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 -2.25 5.11 -1.37 -3.33 1.01 -1.26 -4.98 120.40 113.32 3kqx s VAL 551 Ca -0.06 0.85 0.22 0.00 0.00 0.00 0.00 61.98 62.99 3kqx s VAL 551 Cb 0.03 -3.74 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 3kqx s VAL 551 CO 0.41 0.47 1.03 0.29 0.00 0.00 0.00 175.10 177.30 3kqx n LYS 552 N 2.64 0.43 -1.83 2.72 4.76 -1.26 -4.66 118.16 120.96 3kqx n LYS 552 Ca -0.11 -0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 54.56 3kqx n LYS 552 Cb 0.52 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.20 3kqx n LYS 552 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kqx n ALA 553 N -0.98 4.46 0.22 7.82 0.00 -1.26 -4.79 120.51 125.98 3kqx n ALA 553 Ca 0.06 -3.72 0.09 0.00 0.00 0.00 0.00 53.44 49.88 3kqx n ALA 553 Cb 0.38 -3.57 0.48 0.00 0.00 0.00 0.00 19.45 16.74 3kqx n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqx h SER 554 N 6.93 0.00 0.26 0.00 4.64 -1.97 -1.32 113.55 122.09 3kqx h SER 554 Ca 0.49 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.70 3kqx h SER 554 Cb 0.72 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 3kqx h SER 554 CO 1.77 0.24 -0.46 0.28 -0.87 0.00 0.00 176.83 177.79 3kqx h SER 555 N 0.00 0.27 0.06 4.97 0.02 -1.93 -0.09 113.55 116.84 3kqx h SER 555 Ca -0.00 -0.12 -0.24 0.00 -0.84 0.00 0.00 61.79 60.59 3kqx h SER 555 Cb 0.70 -0.07 0.02 0.00 0.14 0.00 0.00 62.40 63.19 3kqx h SER 555 CO 0.03 0.69 -0.97 0.40 -1.14 0.00 0.00 176.83 175.85 3kqx h ILE 556 N 0.20 1.35 -0.52 3.27 2.04 -1.69 -2.78 117.51 119.39 3kqx h ILE 556 Ca 0.01 -2.30 -0.03 0.00 1.00 0.00 0.00 64.86 63.54 3kqx h ILE 556 Cb 0.89 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.60 3kqx h ILE 556 CO 0.07 0.69 0.22 0.58 0.00 0.00 0.00 178.15 179.71 3kqx h VAL 557 N 0.13 1.21 -0.92 1.67 2.07 -1.12 -1.45 116.25 117.84 3kqx h VAL 557 Ca -0.14 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.75 3kqx h VAL 557 Cb 1.66 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.05 3kqx h VAL 557 CO 0.19 0.24 0.58 0.00 0.02 0.00 0.00 177.57 178.60 3kqx h ALA 558 N 1.06 1.29 -0.68 1.67 0.00 -1.09 -1.83 119.26 119.69 3kqx h ALA 558 Ca 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kqx h ALA 558 Cb 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3kqx h ALA 558 CO -0.02 0.63 0.44 0.77 0.00 0.00 0.00 179.25 181.07 3kqx h SER 559 N 1.26 0.75 -0.68 0.00 0.02 -1.15 -1.60 113.55 112.14 3kqx h SER 559 Ca 0.33 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 3kqx h SER 559 Cb -0.09 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3kqx h SER 559 CO -0.07 0.53 0.41 -0.07 -1.14 0.00 0.00 176.83 176.49 3kqx h LEU 560 N 0.89 0.83 -0.22 5.07 3.38 -0.75 -0.39 115.31 124.11 3kqx h LEU 560 Ca 0.26 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3kqx h LEU 560 Cb -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3kqx h LEU 560 CO -0.07 0.65 0.04 0.15 0.09 0.00 0.00 178.44 179.29 3kqx h PHE 561 N 0.95 0.39 -0.62 1.13 3.04 -1.04 -3.07 116.94 117.71 3kqx h PHE 561 Ca 0.25 -0.05 -0.06 0.00 3.98 0.00 0.00 57.97 62.08 3kqx h PHE 561 Cb -0.02 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 38.35 3kqx h PHE 561 CO 0.00 0.50 0.14 -0.07 -2.02 0.00 0.00 178.31 176.86 3kqx h LEU 562 N 0.17 0.93 -2.05 0.59 3.38 -0.94 -2.10 115.31 115.30 3kqx h LEU 562 Ca 0.07 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.94 3kqx h LEU 562 Cb 0.32 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kqx h LEU 562 CO 0.00 0.91 0.26 0.50 0.09 0.00 0.00 178.44 180.21 3kqx h LYS 563 N 0.94 0.00 0.00 1.13 3.64 -0.99 -0.05 116.57 121.25 3kqx h LYS 563 Ca 0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3kqx h LYS 563 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3kqx h LYS 563 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 3kqx n GLU 564 N -4.26 0.03 -0.16 1.90 -0.58 -0.79 -2.59 120.64 114.19 3kqx n GLU 564 Ca 0.05 0.22 0.07 0.00 -0.42 0.00 0.00 57.16 57.08 3kqx n GLU 564 Cb 0.44 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.96 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 -1.47 0.42 -4.08 -0.32 3.01 -0.03 -4.82 117.46 110.17 3kqx n PHE 565 Ca 0.04 -0.38 -0.32 0.00 1.01 0.00 0.00 57.45 57.80 3kqx n PHE 565 Cb 0.17 -0.02 -0.16 0.00 -0.01 0.00 0.00 39.48 39.46 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 1.89 -0.13 -4.37 1.01 -1.07 -3.87 120.40 112.84 3kqx s VAL 566 Ca 0.25 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.33 3kqx s VAL 566 Cb 0.14 -1.73 -0.25 0.00 0.00 0.00 0.00 36.38 34.53 3kqx s VAL 566 CO 0.18 0.50 0.31 0.00 0.00 0.00 0.00 175.10 176.09 3kqx n GLN 567 N 4.67 0.75 -2.11 2.72 3.00 -1.26 -4.80 117.38 120.35 3kqx n GLN 567 Ca -0.19 0.25 -0.03 0.00 -0.01 0.00 0.00 57.00 57.02 3kqx n GLN 567 Cb 0.50 -1.69 0.05 0.00 0.00 0.00 0.00 30.24 29.10 3kqx n GLN 567 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3kqx n ASN 568 N -3.46 -0.90 -4.16 1.08 2.85 -1.26 -5.11 115.26 104.30 3kqx n ASN 568 Ca -0.33 -2.12 -0.22 0.00 -0.11 0.00 0.00 54.58 51.80 3kqx n ASN 568 Cb 1.04 0.40 -0.14 0.00 1.24 0.00 0.00 39.78 42.32 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3kqx s THR 569 N -0.30 1.24 -0.03 -0.44 2.01 -1.26 -5.11 115.64 111.76 3kqx s THR 569 Ca 0.09 -0.93 -0.33 0.00 0.31 0.00 0.00 61.69 60.84 3kqx s THR 569 Cb 0.30 -1.09 -0.11 0.00 0.01 0.00 0.00 72.50 71.61 3kqx s THR 569 CO -0.08 0.15 1.90 0.00 -0.69 0.00 0.00 174.62 175.89 3kqx n ALA 570 N 2.14 1.17 -2.64 7.40 0.00 -1.26 -4.91 120.51 122.42 3kqx n ALA 570 Ca -0.17 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 3kqx n ALA 570 Cb 0.54 -2.56 -0.15 0.00 0.00 0.00 0.00 19.45 17.29 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 4.04 1.01 0.08 0.00 -0.00 -1.26 -1.23 118.94 121.59 3kqx s TRP 571 Ca 0.91 -0.19 0.01 0.00 -0.00 0.00 0.00 56.10 56.82 3kqx s TRP 571 Cb -0.60 -0.66 -0.04 0.00 -0.00 0.00 0.00 33.47 32.17 3kqx s TRP 571 CO 0.48 -0.02 -0.06 0.00 -0.00 0.00 0.00 176.95 177.35 3kqx s ALA 572 N -0.25 0.83 -0.05 5.86 0.00 -0.27 -1.84 121.76 126.04 3kqx s ALA 572 Ca 0.04 -1.30 -0.01 0.00 0.00 0.00 0.00 51.96 50.70 3kqx s ALA 572 Cb -0.05 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.29 3kqx s ALA 572 CO -0.00 -0.27 0.01 -1.58 0.00 0.00 0.00 175.76 173.91 3kqx s HIS 573 N -3.67 0.47 -0.29 0.00 2.46 0.10 -0.30 115.29 114.06 3kqx s HIS 573 Ca 0.10 -0.05 -0.04 0.00 0.47 0.00 0.00 55.06 55.54 3kqx s HIS 573 Cb 0.06 -0.62 0.03 0.00 -0.13 0.00 0.00 32.58 31.91 3kqx s HIS 573 CO -0.06 -0.24 0.02 0.42 -2.47 0.00 0.00 174.74 172.42 3kqx s ILE 574 N 1.64 3.42 -0.45 0.89 1.01 0.40 -1.24 121.20 126.87 3kqx s ILE 574 Ca -0.01 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 3kqx s ILE 574 Cb -0.13 -2.82 0.03 0.00 0.01 0.00 0.00 42.46 39.56 3kqx s ILE 574 CO -0.03 0.05 0.50 -0.62 0.00 0.00 0.00 174.94 174.83 3kqx s ASP 575 N 1.39 6.21 -0.28 3.58 -1.08 0.10 -1.48 116.67 125.11 3kqx s ASP 575 Ca -0.00 -0.74 0.12 0.00 -0.52 0.00 0.00 52.55 51.40 3kqx s ASP 575 Cb -0.18 -2.25 0.66 0.00 -1.46 0.00 0.00 42.92 39.70 3kqx s ASP 575 CO -0.00 -0.68 1.66 2.30 0.52 0.00 0.00 175.17 178.97 3kqx n ILE 576 N 5.51 2.72 0.12 4.11 -5.35 0.87 -2.83 119.36 124.50 3kqx n ILE 576 Ca -0.07 -1.88 0.05 0.00 -0.27 0.00 0.00 62.75 60.59 3kqx n ILE 576 Cb 0.47 -0.33 0.49 0.00 -1.74 0.00 0.00 39.64 38.53 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 2.22 1.77 0.00 -1.28 0.00 -1.83 -2.47 119.26 117.66 3kqx h ALA 577 Ca 0.19 -0.06 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 3kqx h ALA 577 Cb 2.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 3kqx h ALA 577 CO 0.55 0.19 -1.05 0.78 0.00 0.00 0.00 179.25 179.73 3kqx h GLY 578 N 0.40 0.00 -0.03 0.00 0.00 -1.82 -3.39 103.07 98.22 3kqx h GLY 578 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3kqx h GLY 578 CO -0.01 0.00 -0.77 3.33 0.00 0.00 0.00 176.54 179.09 3kqx n VAL 579 N -3.24 0.00 -0.07 4.60 0.24 -0.99 -4.20 118.33 114.67 3kqx n VAL 579 Ca -0.03 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 3kqx n VAL 579 Cb 0.91 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 34.24 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 0.07 0.76 -3.48 -1.34 0.87 -1.66 -3.42 113.55 105.35 3kqx h SER 580 Ca 0.00 -0.53 -0.61 0.00 -1.23 0.00 0.00 61.79 59.42 3kqx h SER 580 Cb 0.40 -0.22 -0.13 0.00 -0.44 0.00 0.00 62.40 62.02 3kqx h SER 580 CO 0.00 1.14 -0.40 0.86 -0.53 0.00 0.00 176.83 177.91 3kqx s TRP 581 N -4.14 3.36 -0.74 2.24 -0.11 -1.26 -1.14 118.94 117.15 3kqx s TRP 581 Ca -0.12 0.39 -0.26 0.00 1.22 0.00 0.00 56.10 57.33 3kqx s TRP 581 Cb 0.08 -2.34 0.04 0.00 -1.50 0.00 0.00 33.47 29.76 3kqx s TRP 581 CO 0.84 0.09 1.22 1.21 -4.62 0.00 0.00 176.95 175.70 3kqx s ASN 582 N 0.90 6.19 0.30 5.86 3.84 0.53 -4.87 114.94 127.67 3kqx s ASN 582 Ca 0.12 -0.64 0.04 0.00 0.21 0.00 0.00 52.86 52.60 3kqx s ASN 582 Cb -0.13 -2.53 0.46 0.00 -0.55 0.00 0.00 41.25 38.50 3kqx s ASN 582 CO 0.05 -1.73 1.73 -0.26 -2.79 0.00 0.00 177.10 174.10 3kqx h PHE 583 N 9.91 0.43 -0.24 0.43 -1.00 -1.96 0.31 116.94 124.83 3kqx h PHE 583 Ca -0.25 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.38 3kqx h PHE 583 Cb 1.05 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.50 3kqx h PHE 583 CO 1.11 0.64 -0.06 0.87 -1.61 0.00 0.00 178.31 179.26 3kqx h LYS 584 N 0.34 0.46 -0.00 1.51 6.56 -1.94 -3.21 116.57 120.28 3kqx h LYS 584 Ca 0.05 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 3kqx h LYS 584 Cb 0.68 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 3kqx h LYS 584 CO 0.05 0.69 -0.31 0.00 -2.06 0.00 0.00 179.45 177.82 3kqx n ALA 585 N -2.38 3.16 -3.47 3.86 0.00 -1.17 -4.98 120.51 115.52 3kqx n ALA 585 Ca -0.04 -0.34 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 3kqx n ALA 585 Cb 0.29 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.08 -6.93 -3.57 0.00 1.74 0.11 -5.00 116.66 101.92 3kqx n ARG 586 Ca 0.10 0.84 -0.10 0.00 -0.77 0.00 0.00 57.85 57.92 3kqx n ARG 586 Cb 0.33 -5.87 -0.02 0.00 -1.02 0.00 0.00 32.46 25.89 3kqx n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqx s LYS 587 N -5.60 1.43 0.71 5.56 -2.85 -1.02 -5.03 119.74 112.95 3kqx s LYS 587 Ca 0.14 -0.64 -0.12 0.00 -1.00 0.00 0.00 55.97 54.35 3kqx s LYS 587 Cb -0.06 0.59 0.02 0.00 -2.06 0.00 0.00 37.83 36.32 3kqx s LYS 587 CO 0.73 -0.64 1.09 -2.14 0.10 0.00 0.00 175.35 174.49 3kqx s PRO 588 N -3.77 2.61 0.20 1.78 0.02 -1.26 -0.35 135.00 134.23 3kqx s PRO 588 Ca 0.05 1.20 0.19 0.00 0.02 0.00 0.00 61.00 62.45 3kqx s PRO 588 Cb -0.03 -1.94 0.01 0.00 0.02 0.00 0.00 34.50 32.57 3kqx s PRO 588 CO -0.06 -1.37 1.12 0.87 -0.33 0.00 0.00 177.00 177.23 3kqx h LYS 589 N -0.60 0.00 -2.68 5.54 1.57 -1.41 -3.43 116.57 115.56 3kqx h LYS 589 Ca -0.45 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.99 3kqx h LYS 589 Cb 1.23 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3kqx h LYS 589 CO 0.54 0.19 -0.46 0.41 -0.57 0.00 0.00 179.45 179.56 3kqx n GLY 590 N 1.25 -0.35 3.70 3.86 0.00 -1.26 -4.93 105.19 107.46 3kqx n GLY 590 Ca -0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 3kqx n GLY 590 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kqx n PHE 591 N -4.06 2.45 0.00 1.61 7.35 -1.26 -3.37 117.46 120.18 3kqx n PHE 591 Ca -0.19 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3kqx n PHE 591 Cb 0.65 -2.52 0.00 0.00 0.35 0.00 0.00 39.48 37.96 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 2.18 2.56 0.13 7.13 0.00 -1.26 -4.70 105.19 111.23 3kqx n GLY 592 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 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 0.84 0.02 1.61 2.07 -1.76 0.40 116.25 119.43 3kqx h VAL 593 Ca 0.00 -0.05 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 3kqx h VAL 593 Cb 0.00 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3kqx h VAL 593 CO 0.00 0.03 -0.94 0.03 0.02 0.00 0.00 177.57 176.70 3kqx h ARG 594 N 0.14 0.16 0.17 1.57 3.08 -1.91 -1.80 114.38 115.79 3kqx h ARG 594 Ca 0.14 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kqx h ARG 594 Cb 0.16 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kqx h ARG 594 CO -0.20 0.98 -0.10 1.25 -1.07 0.00 0.00 179.97 180.84 3kqx h LEU 595 N 0.08 -0.25 -1.09 3.04 5.85 -1.80 -0.32 115.31 120.81 3kqx h LEU 595 Ca -0.05 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3kqx h LEU 595 Cb 1.60 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 3kqx h LEU 595 CO 0.14 -0.17 0.13 -0.07 -0.34 0.00 0.00 178.44 178.14 3kqx h LEU 596 N -0.26 0.72 -0.16 2.25 3.38 -0.90 -1.31 115.31 119.03 3kqx h LEU 596 Ca -0.02 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3kqx h LEU 596 Cb 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3kqx h LEU 596 CO 0.02 0.70 -0.22 0.74 0.09 0.00 0.00 178.44 179.78 3kqx h THR 597 N 0.75 1.35 -0.83 0.22 2.02 -1.19 -1.73 112.91 113.50 3kqx h THR 597 Ca 0.17 -1.42 0.09 0.00 0.77 0.00 0.00 66.41 66.02 3kqx h THR 597 Cb 0.27 1.89 -0.06 0.00 -1.74 0.00 0.00 68.15 68.51 3kqx h THR 597 CO -0.00 0.42 0.54 -0.33 0.37 0.00 0.00 175.52 176.52 3kqx h GLU 598 N 0.07 0.77 -0.11 6.66 4.39 -0.94 0.10 114.58 125.52 3kqx h GLU 598 Ca 0.02 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3kqx h GLU 598 Cb 0.78 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3kqx h GLU 598 CO 0.05 0.51 0.04 0.35 -1.16 0.00 0.00 179.01 178.80 3kqx h PHE 599 N 0.80 0.17 0.09 4.33 3.57 -1.04 0.20 116.94 125.06 3kqx h PHE 599 Ca 0.38 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.86 3kqx h PHE 599 Cb 0.42 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.11 3kqx h PHE 599 CO -0.00 0.28 -0.04 0.28 -2.23 0.00 0.00 178.31 176.60 3kqx h VAL 600 N 0.01 0.97 -0.68 1.41 2.07 -0.73 -2.53 116.25 116.76 3kqx h VAL 600 Ca 0.04 -0.20 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 3kqx h VAL 600 Cb 0.19 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3kqx h VAL 600 CO -0.00 0.05 0.21 -0.07 0.02 0.00 0.00 177.57 177.77 3kqx h LEU 601 N -0.21 0.98 -0.65 2.57 4.07 -0.75 -2.95 115.31 118.36 3kqx h LEU 601 Ca -0.01 -0.18 -0.07 0.00 0.08 0.00 0.00 57.88 57.70 3kqx h LEU 601 Cb 0.17 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.63 3kqx h LEU 601 CO 0.02 0.92 0.14 0.78 -1.08 0.00 0.00 178.44 179.22 3kqx h ASN 602 N 1.01 1.01 -0.00 -0.43 2.35 -0.61 -3.51 115.58 115.39 3kqx h ASN 602 Ca 0.22 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3kqx h ASN 602 Cb 0.29 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.40 3kqx h ASN 602 CO -0.01 0.99 0.00 -0.67 -1.65 0.00 0.00 177.43 176.09