#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqx s SER 86 N 0.00 4.06 0.08 0.00 0.01 -1.26 -5.10 113.70 111.49 3kqx s SER 86 Ca 0.00 -1.04 -0.29 0.00 1.31 0.00 0.00 55.95 55.93 3kqx s SER 86 Cb 0.00 -0.49 -0.05 0.00 0.21 0.00 0.00 66.02 65.69 3kqx s SER 86 CO 0.00 -0.23 0.93 -1.61 0.41 0.00 0.00 173.24 172.74 3kqx s GLU 87 N -3.69 4.64 -0.24 12.44 0.41 -1.26 -4.95 118.70 126.05 3kqx s GLU 87 Ca 0.34 1.37 -0.28 0.00 -0.41 0.00 0.00 54.97 55.99 3kqx s GLU 87 Cb 0.01 -3.39 0.01 0.00 -1.78 0.00 0.00 34.13 28.97 3kqx s GLU 87 CO 0.19 0.18 1.00 0.08 -0.49 0.00 0.00 175.26 176.21 3kqx s VAL 88 N 0.17 4.69 0.64 2.63 1.01 -1.26 -5.02 120.40 123.27 3kqx s VAL 88 Ca 0.46 1.89 -0.17 0.00 0.00 0.00 0.00 61.98 64.16 3kqx s VAL 88 Cb -0.22 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 3kqx s VAL 88 CO 0.28 -0.19 1.16 -2.16 0.00 0.00 0.00 175.10 174.19 3kqx s PRO 89 N 3.18 2.80 0.03 2.72 0.04 -1.26 -4.95 135.00 137.55 3kqx s PRO 89 Ca 0.42 1.62 0.03 0.00 0.04 0.00 0.00 61.00 63.12 3kqx s PRO 89 Cb -0.15 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3kqx s PRO 89 CO 0.07 -1.29 -0.09 -0.65 0.04 0.00 0.00 177.00 175.08 3kqx s GLN 90 N -3.70 0.65 -0.12 4.56 -0.21 -1.26 -5.03 119.66 114.54 3kqx s GLN 90 Ca 0.72 -0.57 -0.20 0.00 0.02 0.00 0.00 55.36 55.33 3kqx s GLN 90 Cb -0.25 -0.57 -0.26 0.00 1.00 0.00 0.00 33.01 32.93 3kqx s GLN 90 CO 0.37 0.14 0.55 0.28 -2.12 0.00 0.00 175.29 174.52 3kqx h VAL 91 N 4.67 1.17 -2.76 1.09 2.07 -1.96 -3.48 116.25 117.05 3kqx h VAL 91 Ca -0.34 -2.36 -0.52 0.00 0.82 0.00 0.00 66.70 64.30 3kqx h VAL 91 Cb 1.19 2.77 -0.15 0.00 -1.52 0.00 0.00 31.29 33.58 3kqx h VAL 91 CO 0.45 0.61 -0.76 0.68 0.02 0.00 0.00 177.57 178.58 3kqx s VAL 92 N -2.41 2.01 0.56 2.57 -7.23 -1.26 -5.04 120.40 109.61 3kqx s VAL 92 Ca -0.21 -2.21 0.43 0.00 -1.81 0.00 0.00 61.98 58.18 3kqx s VAL 92 Cb 0.03 -2.09 0.44 0.00 0.56 0.00 0.00 36.38 35.32 3kqx s VAL 92 CO 0.73 -0.46 2.30 0.77 -0.31 0.00 0.00 175.10 178.13 3kqx h SER 93 N 2.63 0.00 0.67 4.85 4.64 -2.04 -0.52 113.55 123.79 3kqx h SER 93 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3kqx h SER 93 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3kqx h SER 93 CO 0.59 0.00 -0.01 0.18 -0.87 0.00 0.00 176.83 176.72 3kqx n LEU 94 N -3.09 0.01 -4.72 5.97 4.77 -1.26 -4.83 117.00 113.85 3kqx n LEU 94 Ca -0.02 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.87 3kqx n LEU 94 Cb 0.12 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 3kqx n LEU 94 CO 0.21 0.00 1.05 -1.81 -1.33 0.00 0.00 177.39 175.51 3kqx s ASP 95 N -2.68 6.83 0.52 -1.43 1.01 -0.21 -4.95 116.67 115.76 3kqx s ASP 95 Ca 0.25 2.39 -0.20 0.00 0.71 0.00 0.00 52.55 55.70 3kqx s ASP 95 Cb 0.20 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.46 3kqx s ASP 95 CO 0.48 -0.62 1.09 -2.16 0.21 0.00 0.00 175.17 174.17 3kqx s PRO 96 N 0.59 3.55 0.00 8.23 0.04 -1.26 -4.98 135.00 141.18 3kqx s PRO 96 Ca 0.62 1.51 0.08 0.00 0.04 0.00 0.00 61.00 63.25 3kqx s PRO 96 Cb -0.37 -2.05 0.22 0.00 0.04 0.00 0.00 34.50 32.34 3kqx s PRO 96 CO 0.34 -0.66 1.17 0.25 0.04 0.00 0.00 177.00 178.13 3kqx n THR 97 N -1.13 0.94 -3.63 1.26 -2.24 -1.26 -4.82 114.28 103.39 3kqx n THR 97 Ca 0.11 -0.97 -0.10 0.00 -2.27 0.00 0.00 64.05 60.82 3kqx n THR 97 Cb 0.52 0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 69.26 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 -0.98 -0.40 -0.14 3.42 1.04 -1.26 -4.74 113.70 110.63 3kqx s SER 98 Ca 0.17 -0.30 -0.24 0.00 0.48 0.00 0.00 55.95 56.07 3kqx s SER 98 Cb 0.09 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 3kqx s SER 98 CO 0.12 -1.11 0.75 -0.63 0.98 0.00 0.00 173.24 173.35 3kqx s ILE 99 N -3.83 4.96 0.19 -1.02 1.01 -1.26 -4.86 121.20 116.39 3kqx s ILE 99 Ca 0.06 1.49 -0.31 0.00 0.00 0.00 0.00 60.65 61.89 3kqx s ILE 99 Cb -0.03 -4.07 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 3kqx s ILE 99 CO -0.04 0.11 1.42 -2.16 0.00 0.00 0.00 174.94 174.27 3kqx s PRO 100 N 1.68 4.30 -0.06 2.79 0.04 -1.26 -5.02 135.00 137.48 3kqx s PRO 100 Ca 0.36 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.62 3kqx s PRO 100 Cb -0.17 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.21 3kqx s PRO 100 CO 0.14 -0.41 -0.12 0.42 0.04 0.00 0.00 177.00 177.07 3kqx s ILE 101 N 0.50 1.09 -0.30 0.56 -1.09 -1.26 -4.99 121.20 115.71 3kqx s ILE 101 Ca 0.62 -0.47 -0.13 0.00 -2.23 0.00 0.00 60.65 58.45 3kqx s ILE 101 Cb -0.40 -0.99 -0.03 0.00 -1.58 0.00 0.00 42.46 39.46 3kqx s ILE 101 CO 0.37 0.34 0.25 -0.70 -1.23 0.00 0.00 174.94 173.97 3kqx s GLU 102 N 0.57 3.77 -0.26 2.79 2.12 -1.26 -4.95 118.70 121.48 3kqx s GLU 102 Ca -0.12 -0.38 -0.07 0.00 0.36 0.00 0.00 54.97 54.76 3kqx s GLU 102 Cb -0.15 -3.72 -0.15 0.00 0.26 0.00 0.00 34.13 30.37 3kqx s GLU 102 CO 0.03 -0.32 -0.23 0.66 -0.54 0.00 0.00 175.26 174.86 3kqx n TYR 103 N 5.15 0.12 -2.91 5.30 4.02 -1.26 -4.76 117.16 122.82 3kqx n TYR 103 Ca -0.12 0.04 -0.44 0.00 -0.01 0.00 0.00 57.90 57.37 3kqx n TYR 103 Cb 0.51 -1.01 -0.02 0.00 -0.02 0.00 0.00 39.34 38.80 3kqx n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqx s ASN 104 N -7.02 6.74 0.50 7.72 0.01 -1.26 -5.01 114.94 116.62 3kqx s ASN 104 Ca -0.36 -2.28 -0.01 0.00 -0.71 0.00 0.00 52.86 49.51 3kqx s ASN 104 Cb 0.11 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.37 3kqx s ASN 104 CO 0.56 -1.00 0.74 0.42 -1.51 0.00 0.00 177.10 176.31 3kqx s THR 105 N 2.51 3.61 0.38 1.60 -4.23 -1.26 -4.97 115.64 113.29 3kqx s THR 105 Ca 0.36 -0.45 0.27 0.00 -1.18 0.00 0.00 61.69 60.69 3kqx s THR 105 Cb -0.04 -3.36 0.28 0.00 1.34 0.00 0.00 72.50 70.72 3kqx s THR 105 CO -0.07 -0.28 2.04 -0.65 -0.54 0.00 0.00 174.62 175.12 3kqx h PRO 106 N 0.21 0.00 -0.49 3.99 0.11 -2.00 -1.26 132.00 132.56 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 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 3kqx h PRO 106 CO 0.57 0.14 0.25 0.82 -0.21 0.00 0.00 178.00 179.56 3kqx h ILE 107 N 0.00 1.16 0.00 4.15 1.08 -1.94 -2.00 117.51 119.96 3kqx h ILE 107 Ca -0.00 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 3kqx h ILE 107 Cb 0.39 0.52 -0.00 0.00 -3.07 0.00 0.00 36.82 34.66 3kqx h ILE 107 CO 0.02 0.18 -0.06 0.45 -0.69 0.00 0.00 178.15 178.05 3kqx h HIS 108 N 0.69 0.00 0.00 1.37 3.86 -1.60 -2.33 115.15 117.13 3kqx h HIS 108 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 3kqx h HIS 108 Cb 0.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.53 3kqx h HIS 108 CO 0.00 0.06 -0.20 -0.25 0.86 0.00 0.00 177.93 178.40 3kqx n ASP 109 N -3.33 0.25 -4.68 2.45 8.00 -0.75 -4.88 116.55 113.61 3kqx n ASP 109 Ca -0.01 0.22 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 3kqx n ASP 109 Cb 0.23 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -3.01 3.94 -0.16 0.53 1.01 -0.88 -4.86 121.20 117.77 3kqx s ILE 110 Ca 0.12 1.25 -0.25 0.00 0.00 0.00 0.00 60.65 61.77 3kqx s ILE 110 Cb 0.18 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3kqx s ILE 110 CO 0.60 -0.04 0.83 -0.54 0.00 0.00 0.00 174.94 175.79 3kqx s LYS 111 N 2.84 4.31 -0.18 2.79 1.02 -0.17 -4.90 119.74 125.45 3kqx s LYS 111 Ca 0.61 1.03 -0.06 0.00 0.02 0.00 0.00 55.97 57.57 3kqx s LYS 111 Cb -0.28 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.43 3kqx s LYS 111 CO 0.23 -0.30 0.02 0.08 -0.92 0.00 0.00 175.35 174.46 3kqx s VAL 112 N 2.06 4.34 -0.03 3.17 1.01 -1.26 -0.92 120.40 128.78 3kqx s VAL 112 Ca 0.39 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.23 3kqx s VAL 112 Cb -0.17 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 3kqx s VAL 112 CO 0.13 0.45 -0.19 -1.10 0.00 0.00 0.00 175.10 174.39 3kqx s GLN 113 N 0.58 1.69 -0.14 2.72 -1.52 0.04 -4.98 119.66 118.06 3kqx s GLN 113 Ca 0.01 -0.68 0.02 0.00 -1.95 0.00 0.00 55.36 52.76 3kqx s GLN 113 Cb -0.14 -1.57 0.00 0.00 -0.22 0.00 0.00 33.01 31.09 3kqx s GLN 113 CO 0.02 0.36 -0.20 0.08 -0.25 0.00 0.00 175.29 175.29 3kqx s VAL 114 N -0.28 2.24 0.20 1.09 1.01 -1.26 -0.61 120.40 122.79 3kqx s VAL 114 Ca 0.03 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.20 3kqx s VAL 114 Cb -0.09 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 3kqx s VAL 114 CO 0.00 0.54 -0.23 -0.31 0.00 0.00 0.00 175.10 175.10 3kqx s TYR 115 N 0.73 2.27 -0.07 5.22 1.51 0.15 -4.96 117.35 122.20 3kqx s TYR 115 Ca -0.08 -0.36 -0.24 0.00 -1.01 0.00 0.00 57.07 55.37 3kqx s TYR 115 Cb -0.16 -1.11 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 3kqx s TYR 115 CO 0.00 0.51 0.74 0.34 -1.11 0.00 0.00 175.55 176.04 3kqx s ASP 116 N -2.77 7.01 0.56 2.29 2.15 -1.26 -1.36 116.67 123.30 3kqx s ASP 116 Ca 0.21 1.22 0.25 0.00 0.43 0.00 0.00 52.55 54.67 3kqx s ASP 116 Cb -0.07 -2.43 1.53 0.00 -0.30 0.00 0.00 42.92 41.64 3kqx s ASP 116 CO 0.10 -0.16 2.09 0.40 -0.17 0.00 0.00 175.17 177.43 3kqx h ILE 117 N 4.82 0.64 0.00 4.11 2.04 -1.79 -2.70 117.51 124.63 3kqx h ILE 117 Ca -0.39 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3kqx h ILE 117 Cb 1.19 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3kqx h ILE 117 CO 0.76 0.00 -0.01 0.11 0.00 0.00 0.00 178.15 179.01 3kqx h LYS 118 N 0.00 0.00 0.00 2.37 6.56 -1.92 -0.89 116.57 122.69 3kqx h LYS 118 Ca 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.70 3kqx h LYS 118 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 3kqx h LYS 118 CO -0.00 0.01 0.00 0.41 -2.06 0.00 0.00 179.45 177.81 3kqx n GLY 119 N -1.47 -0.84 0.07 3.86 0.00 -1.02 -5.02 105.19 100.78 3kqx n GLY 119 Ca -0.03 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 0.66 -2.62 3.62 -0.02 0.00 -0.34 -4.96 105.19 101.53 3kqx n GLY 120 Ca 0.20 -1.43 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 0.59 7.02 -0.33 0.00 0.01 -1.26 0.03 114.94 121.00 3kqx s ASN 122 Ca 0.04 1.27 -0.01 0.00 -0.71 0.00 0.00 52.86 53.45 3kqx s ASN 122 Cb -0.13 -2.36 0.11 0.00 0.41 0.00 0.00 41.25 39.28 3kqx s ASN 122 CO 0.01 0.17 0.14 -0.69 -1.51 0.00 0.00 177.10 175.21 3kqx s VAL 123 N -1.31 0.71 0.00 1.60 1.01 -1.26 -5.00 120.40 116.15 3kqx s VAL 123 Ca 0.35 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.84 3kqx s VAL 123 Cb -0.18 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3kqx s VAL 123 CO 0.20 -0.75 0.00 -0.62 0.00 0.00 0.00 175.10 173.93 3kqx n GLU 124 N 4.64 0.00 -1.08 2.72 1.02 -1.26 -4.98 120.64 121.71 3kqx n GLU 124 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.86 3kqx n GLU 124 Cb 0.40 0.00 0.20 0.00 -0.02 0.00 0.00 31.44 32.02 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 3.70 -0.03 3.95 3.49 1.03 -1.26 -4.58 118.70 125.01 3kqx s GLU 125 Ca 0.00 0.46 0.00 0.00 0.03 0.00 0.00 54.97 55.46 3kqx s GLU 125 Cb 0.00 -1.69 0.00 0.00 -0.80 0.00 0.00 34.13 31.64 3kqx s GLU 125 CO 0.00 -3.03 0.00 0.41 -1.33 0.00 0.00 175.26 171.31 3kqx n GLY 126 N -0.82 0.36 2.99 -3.83 0.00 -1.26 -4.82 105.19 97.81 3kqx n GLY 126 Ca 0.05 -0.93 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 1.67 -0.20 0.99 2.96 -0.92 -3.79 118.68 119.40 3kqx s LEU 127 Ca 0.00 -0.21 -0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3kqx s LEU 127 Cb 0.00 -0.63 0.01 0.00 0.50 0.00 0.00 46.19 46.07 3kqx s LEU 127 CO 0.00 0.04 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.05 3kqx s THR 128 N 0.44 2.65 -0.15 3.68 2.01 -0.59 -1.43 115.64 122.26 3kqx s THR 128 Ca -0.08 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.17 3kqx s THR 128 Cb -0.12 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.22 3kqx s THR 128 CO 0.01 0.49 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.69 3kqx s ILE 129 N 1.37 3.17 -0.03 1.82 -1.09 0.12 -0.05 121.20 126.51 3kqx s ILE 129 Ca 0.05 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.71 3kqx s ILE 129 Cb -0.14 -2.36 -0.05 0.00 -1.58 0.00 0.00 42.46 38.33 3kqx s ILE 129 CO -0.09 0.51 0.43 -0.36 -1.23 0.00 0.00 174.94 174.20 3kqx s PHE 130 N 0.54 3.66 -0.40 3.97 0.40 0.07 -0.12 117.98 126.11 3kqx s PHE 130 Ca -0.07 0.96 -0.14 0.00 -0.60 0.00 0.00 56.93 57.08 3kqx s PHE 130 Cb -0.15 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 41.03 3kqx s PHE 130 CO 0.03 0.50 0.27 -0.51 0.70 0.00 0.00 175.22 176.21 3kqx s LEU 131 N -0.56 4.99 -0.02 -0.37 1.43 0.24 -1.29 118.68 123.10 3kqx s LEU 131 Ca 0.24 -0.92 0.05 0.00 -1.03 0.00 0.00 54.13 52.47 3kqx s LEU 131 Cb -0.16 -2.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.93 3kqx s LEU 131 CO 0.12 -0.43 -0.18 0.68 0.23 0.00 0.00 176.35 176.78 3kqx s VAL 132 N 1.64 1.42 0.32 -1.59 -7.23 -1.14 -1.03 120.40 112.78 3kqx s VAL 132 Ca 0.04 -0.76 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 3kqx s VAL 132 Cb -0.19 -1.19 -0.01 0.00 0.56 0.00 0.00 36.38 35.54 3kqx s VAL 132 CO 0.09 0.41 0.10 -0.46 -0.31 0.00 0.00 175.10 174.93 3kqx n ASN 133 N 2.77 1.29 -3.26 4.85 0.23 -1.26 -0.71 115.26 119.17 3kqx n ASN 133 Ca -0.16 -2.65 -0.11 0.00 -0.53 0.00 0.00 54.58 51.13 3kqx n ASN 133 Cb 0.54 0.75 -0.05 0.00 -2.08 0.00 0.00 39.78 38.93 3kqx n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqx s ASN 134 N -2.92 0.11 0.24 0.53 3.84 -0.58 -4.81 114.94 111.35 3kqx s ASN 134 Ca 0.15 -1.47 -0.30 0.00 0.21 0.00 0.00 52.86 51.44 3kqx s ASN 134 Cb 0.01 1.05 -0.10 0.00 -0.55 0.00 0.00 41.25 41.65 3kqx s ASN 134 CO 0.10 -0.20 1.46 -2.84 -2.79 0.00 0.00 177.10 172.82 3kqx s PRO 135 N 1.39 4.26 0.00 0.43 0.02 -1.26 -2.40 135.00 137.44 3kqx s PRO 135 Ca 0.19 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3kqx s PRO 135 Cb -0.09 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.32 3kqx s PRO 135 CO -0.05 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3kqx n GLY 136 N 2.34 2.55 3.36 0.52 0.00 0.59 -4.93 105.19 109.63 3kqx n GLY 136 Ca 0.07 -0.01 -0.46 0.00 0.00 0.00 0.00 46.02 45.63 3kqx n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s LYS 137 N 0.00 3.51 0.03 1.61 -2.85 -1.01 -5.03 119.74 116.00 3kqx s LYS 137 Ca 0.00 -2.13 -0.36 0.00 -1.00 0.00 0.00 55.97 52.48 3kqx s LYS 137 Cb 0.00 -4.53 -0.15 0.00 -2.06 0.00 0.00 37.83 31.09 3kqx s LYS 137 CO 0.00 -1.44 1.51 0.39 0.10 0.00 0.00 175.35 175.90 3kqx n GLU 138 N 4.93 1.47 -3.93 1.78 4.71 -1.26 -0.61 120.64 127.73 3kqx n GLU 138 Ca 0.12 0.53 -0.31 0.00 -0.01 0.00 0.00 57.16 57.50 3kqx n GLU 138 Cb 0.47 -2.23 -0.04 0.00 -1.01 0.00 0.00 31.44 28.63 3kqx n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kqx n ASN 139 N 3.53 -2.35 -4.71 1.62 4.13 -1.26 -4.96 115.26 111.26 3kqx n ASN 139 Ca 0.20 -0.76 -0.29 0.00 1.68 0.00 0.00 54.58 55.41 3kqx n ASN 139 Cb 0.21 -2.00 0.16 0.00 -1.54 0.00 0.00 39.78 36.61 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kqx s GLY 140 N -2.95 1.58 0.62 7.41 0.00 0.22 -4.52 107.32 109.69 3kqx s GLY 140 Ca 0.60 -0.28 -0.17 0.00 0.00 0.00 0.00 44.72 44.87 3kqx s GLY 140 CO 0.74 0.28 1.18 2.56 0.00 0.00 0.00 173.10 177.86 3kqx s PRO 141 N -5.00 2.84 0.03 2.90 0.04 -1.26 -1.57 135.00 132.99 3kqx s PRO 141 Ca 0.64 1.71 -0.30 0.00 0.04 0.00 0.00 61.00 63.09 3kqx s PRO 141 Cb -0.18 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3kqx s PRO 141 CO 0.57 -1.28 1.21 0.08 0.04 0.00 0.00 177.00 177.61 3kqx s VAL 142 N -1.82 4.07 -0.09 -0.36 1.01 -0.21 -4.69 120.40 118.32 3kqx s VAL 142 Ca 0.74 1.47 0.02 0.00 0.00 0.00 0.00 61.98 64.22 3kqx s VAL 142 Cb -0.27 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.17 3kqx s VAL 142 CO 0.36 0.08 -0.14 -0.54 0.00 0.00 0.00 175.10 174.86 3kqx s LYS 143 N 1.39 1.99 -0.36 2.72 1.02 -1.26 -3.47 119.74 121.76 3kqx s LYS 143 Ca 0.58 -0.50 -0.18 0.00 0.02 0.00 0.00 55.97 55.90 3kqx s LYS 143 Cb -0.28 -1.66 -0.00 0.00 -0.52 0.00 0.00 37.83 35.37 3kqx s LYS 143 CO 0.27 -0.00 0.49 0.42 -0.92 0.00 0.00 175.35 175.61 3kqx s ILE 144 N 0.80 5.03 -0.09 2.17 -1.09 -1.26 -4.94 121.20 121.82 3kqx s ILE 144 Ca -0.11 0.22 0.14 0.00 -2.23 0.00 0.00 60.65 58.67 3kqx s ILE 144 Cb -0.16 -3.97 -0.24 0.00 -1.58 0.00 0.00 42.46 36.52 3kqx s ILE 144 CO 0.02 -0.24 0.47 -1.54 -1.23 0.00 0.00 174.94 172.41 3kqx n SER 145 N 5.71 0.59 -4.73 3.58 3.41 -1.26 -4.95 113.62 115.97 3kqx n SER 145 Ca -0.05 0.28 -0.34 0.00 -0.26 0.00 0.00 58.87 58.49 3kqx n SER 145 Cb 0.49 0.28 0.08 0.00 -0.26 0.00 0.00 64.21 64.80 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 -5.89 4.39 0.22 4.04 0.01 -1.26 -4.98 113.70 110.22 3kqx s SER 146 Ca -0.06 2.32 -0.30 0.00 1.31 0.00 0.00 55.95 59.22 3kqx s SER 146 Cb 0.07 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.63 3kqx s SER 146 CO 0.83 -2.13 1.07 -0.75 0.41 0.00 0.00 173.24 172.66 3kqx s LYS 147 N -3.87 4.66 -0.14 12.44 2.20 -1.26 -4.97 119.74 128.80 3kqx s LYS 147 Ca 0.74 1.69 0.01 0.00 -0.36 0.00 0.00 55.97 58.06 3kqx s LYS 147 Cb -0.28 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 3kqx s LYS 147 CO 0.44 0.20 -0.18 0.08 -0.36 0.00 0.00 175.35 175.53 3kqx s VAL 148 N -0.69 2.42 -0.13 4.02 1.01 -1.26 -0.39 120.40 125.38 3kqx s VAL 148 Ca 0.46 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3kqx s VAL 148 Cb -0.29 -2.00 -0.19 0.00 0.00 0.00 0.00 36.38 33.90 3kqx s VAL 148 CO 0.36 0.53 3.42 0.59 0.00 0.00 0.00 175.10 180.00 3kqx n ASN 149 N 4.01 5.57 -3.66 3.32 3.02 0.11 -4.70 115.26 122.93 3kqx n ASN 149 Ca -0.19 -2.65 -0.08 0.00 -0.03 0.00 0.00 54.58 51.63 3kqx n ASN 149 Cb 0.52 -1.38 -0.08 0.00 -0.61 0.00 0.00 39.78 38.23 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 1.61 -0.82 0.06 6.41 2.15 -1.26 -4.88 116.67 119.95 3kqx s ASP 150 Ca 0.65 1.33 -0.17 0.00 0.43 0.00 0.00 52.55 54.79 3kqx s ASP 150 Cb 0.33 1.27 -0.13 0.00 -0.30 0.00 0.00 42.92 44.09 3kqx s ASP 150 CO -0.05 -0.23 1.33 0.07 -0.17 0.00 0.00 175.17 176.12 3kqx h LYS 151 N 7.13 0.56 0.11 4.34 2.10 -1.98 -0.62 116.57 128.20 3kqx h LYS 151 Ca -0.31 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 58.00 3kqx h LYS 151 Cb 1.21 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.56 3kqx h LYS 151 CO 0.19 0.95 -0.11 1.96 -2.00 0.00 0.00 179.45 180.45 3kqx h GLN 152 N 0.22 -0.24 -0.75 0.07 1.08 -1.90 -1.01 115.11 112.59 3kqx h GLN 152 Ca 0.01 0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 3kqx h GLN 152 Cb 0.92 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 28.37 3kqx h GLN 152 CO 0.07 -0.16 0.40 0.28 -0.95 0.00 0.00 178.83 178.48 3kqx h VAL 153 N -0.24 1.23 -0.87 -0.54 2.07 -1.81 -1.65 116.25 114.44 3kqx h VAL 153 Ca 0.01 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3kqx h VAL 153 Cb 0.24 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3kqx h VAL 153 CO -0.03 0.25 0.55 0.28 0.02 0.00 0.00 177.57 178.64 3kqx h SER 154 N 1.03 1.02 -0.03 0.57 0.02 -0.97 -1.62 113.55 113.56 3kqx h SER 154 Ca 0.26 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3kqx h SER 154 Cb 0.04 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 3kqx h SER 154 CO -0.04 0.76 0.02 -0.08 -1.14 0.00 0.00 176.83 176.35 3kqx h GLU 155 N 1.18 0.05 -0.79 3.45 4.57 -0.93 -2.58 114.58 119.53 3kqx h GLU 155 Ca 0.31 -0.01 0.15 0.00 -1.18 0.00 0.00 59.36 58.64 3kqx h GLU 155 Cb -0.09 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 28.39 3kqx h GLU 155 CO -0.06 0.11 0.34 0.35 -1.18 0.00 0.00 179.01 178.57 3kqx h PHE 156 N -0.03 0.58 -0.46 0.92 3.57 -0.74 -2.78 116.94 118.01 3kqx h PHE 156 Ca 0.01 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3kqx h PHE 156 Cb 0.08 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.68 3kqx h PHE 156 CO -0.05 0.09 0.00 1.28 -2.23 0.00 0.00 178.31 177.40 3kqx n LEU 157 N -4.97 3.18 -4.70 0.59 4.77 -0.66 -4.69 117.00 110.52 3kqx n LEU 157 Ca 0.15 -1.60 -0.34 0.00 -0.03 0.00 0.00 56.01 54.20 3kqx n LEU 157 Cb 0.43 -0.43 0.12 0.00 -2.33 0.00 0.00 43.42 41.21 3kqx n LEU 157 CO 0.19 0.61 0.78 -1.59 -1.33 0.00 0.00 177.39 176.04 3kqx s LYS 158 N -1.63 1.77 0.35 3.23 -2.85 -0.99 -4.54 119.74 115.09 3kqx s LYS 158 Ca 0.34 1.74 0.06 0.00 -1.00 0.00 0.00 55.97 57.11 3kqx s LYS 158 Cb 0.21 -1.79 0.73 0.00 -2.06 0.00 0.00 37.83 34.91 3kqx s LYS 158 CO 0.18 -2.11 1.94 -0.44 0.10 0.00 0.00 175.35 175.02 3kqx h ASP 159 N -0.76 0.69 -0.99 0.03 3.32 -1.92 -1.02 116.42 115.76 3kqx h ASP 159 Ca -0.46 0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.63 3kqx h ASP 159 Cb 1.29 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 3kqx h ASP 159 CO 0.47 0.44 0.65 -0.08 -1.72 0.00 0.00 179.24 178.99 3kqx h GLU 160 N 0.78 1.20 0.01 3.56 4.81 -1.95 -1.11 114.58 121.88 3kqx h GLU 160 Ca 0.34 -0.07 -0.24 0.00 -0.13 0.00 0.00 59.36 59.26 3kqx h GLU 160 Cb 0.31 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3kqx h GLU 160 CO -0.12 0.80 -0.98 -0.91 -0.73 0.00 0.00 179.01 177.06 3kqx h ASN 161 N 1.24 0.64 1.70 1.04 2.35 -1.50 -3.36 115.58 117.69 3kqx h ASN 161 Ca 0.40 -0.52 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 3kqx h ASN 161 Cb 0.03 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3kqx h ASN 161 CO -0.13 1.32 -0.31 0.24 -1.65 0.00 0.00 177.43 176.90 3kqx h MET 162 N 0.27 0.00 0.00 0.81 2.86 -0.98 -3.31 114.93 114.58 3kqx h MET 162 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3kqx h MET 162 Cb 1.63 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.29 3kqx h MET 162 CO 0.18 0.23 0.00 1.05 1.06 0.00 0.00 176.91 179.43 3kqx h GLU 163 N 0.00 0.00 0.00 1.72 4.11 -1.25 -1.76 114.58 117.41 3kqx h GLU 163 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3kqx h GLU 163 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3kqx h GLU 163 CO 0.03 0.00 0.00 0.36 0.07 0.00 0.00 179.01 179.47 3kqx n LYS 164 N -2.46 0.08 -4.24 1.06 0.00 -1.25 -4.63 118.16 106.72 3kqx n LYS 164 Ca 0.01 0.16 -0.26 0.00 -0.00 0.00 0.00 58.31 58.22 3kqx n LYS 164 Cb 0.22 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.67 3kqx n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kqx s PHE 165 N -2.87 2.76 0.33 5.58 0.08 -0.66 -5.05 117.98 118.15 3kqx s PHE 165 Ca 0.12 -0.17 0.06 0.00 0.12 0.00 0.00 56.93 57.06 3kqx s PHE 165 Cb 0.12 -1.33 -0.06 0.00 -0.57 0.00 0.00 43.02 41.18 3kqx s PHE 165 CO 0.32 0.53 -0.02 0.54 -0.10 0.00 0.00 175.22 176.49 3kqx s ASN 166 N -3.01 3.06 0.00 1.36 2.20 -1.26 -1.04 114.94 116.25 3kqx s ASN 166 Ca 0.27 -1.27 0.15 0.00 -0.94 0.00 0.00 52.86 51.07 3kqx s ASN 166 Cb -0.09 -0.23 0.43 0.00 -2.00 0.00 0.00 41.25 39.36 3kqx s ASN 166 CO 0.18 -0.41 1.36 1.33 -2.94 0.00 0.00 177.10 176.62 3kqx n VAL 167 N -0.72 0.63 -1.57 3.54 0.24 -0.61 -4.75 118.33 115.09 3kqx n VAL 167 Ca -0.04 -0.63 -0.52 0.00 -2.04 0.00 0.00 64.34 61.10 3kqx n VAL 167 Cb 0.65 0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 33.29 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 0.89 0.97 -1.67 7.34 4.81 -1.26 -0.73 118.16 128.51 3kqx n LYS 168 Ca 0.16 0.35 -0.48 0.00 -0.87 0.00 0.00 58.31 57.47 3kqx n LYS 168 Cb 0.40 -1.91 -0.05 0.00 0.02 0.00 0.00 35.03 33.49 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 2.23 3.03 0.00 3.14 7.94 -1.26 -0.92 117.00 131.15 3kqx n LEU 169 Ca 0.18 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.13 3kqx n LEU 169 Cb 0.19 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 42.77 3kqx n LEU 169 CO 0.62 -0.30 0.00 0.61 -1.11 0.00 0.00 177.39 177.21 3kqx n GLY 170 N 3.66 2.95 3.74 -3.96 0.00 -0.09 -4.93 105.19 106.55 3kqx n GLY 170 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 3kqx n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s THR 171 N -1.90 2.47 0.05 2.61 2.01 -0.10 -4.72 115.64 116.06 3kqx s THR 171 Ca 0.00 0.28 -0.20 0.00 0.31 0.00 0.00 61.69 62.08 3kqx s THR 171 Cb 0.00 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.51 3kqx s THR 171 CO 0.00 -0.08 0.46 -0.94 -0.69 0.00 0.00 174.62 173.37 3kqx s SER 172 N -1.67 -0.35 -0.02 3.53 1.04 -1.26 -0.14 113.70 114.83 3kqx s SER 172 Ca 0.78 0.06 -0.06 0.00 0.48 0.00 0.00 55.95 57.21 3kqx s SER 172 Cb -0.31 0.46 0.01 0.00 0.10 0.00 0.00 66.02 66.27 3kqx s SER 172 CO 0.37 -0.70 0.13 -0.54 0.98 0.00 0.00 173.24 173.48 3kqx s LYS 173 N -2.52 0.34 -0.10 4.02 -0.14 -1.14 -5.01 119.74 115.19 3kqx s LYS 173 Ca -0.05 -0.15 -0.02 0.00 -1.36 0.00 0.00 55.97 54.39 3kqx s LYS 173 Cb -0.01 0.15 -0.03 0.00 -1.68 0.00 0.00 37.83 36.26 3kqx s LYS 173 CO -0.02 -0.07 0.01 -1.01 -0.76 0.00 0.00 175.35 173.49 3kqx s HIS 174 N -0.75 3.17 0.05 3.18 3.76 -1.26 -2.45 115.29 120.98 3kqx s HIS 174 Ca -0.08 0.17 0.07 0.00 -0.15 0.00 0.00 55.06 55.07 3kqx s HIS 174 Cb -0.05 -1.82 -0.03 0.00 1.11 0.00 0.00 32.58 31.80 3kqx s HIS 174 CO 0.01 0.43 -0.20 -0.06 -0.85 0.00 0.00 174.74 174.07 3kqx s PHE 175 N -0.75 1.79 -0.04 1.40 0.08 0.17 -4.97 117.98 115.66 3kqx s PHE 175 Ca 0.12 -0.38 0.03 0.00 0.12 0.00 0.00 56.93 56.82 3kqx s PHE 175 Cb -0.12 -1.06 0.01 0.00 -0.57 0.00 0.00 43.02 41.28 3kqx s PHE 175 CO 0.02 0.10 -0.11 -0.47 -0.10 0.00 0.00 175.22 174.66 3kqx s TYR 176 N -0.83 1.19 0.20 0.36 5.04 -1.26 -1.62 117.35 120.43 3kqx s TYR 176 Ca 0.07 -0.35 -0.23 0.00 -2.44 0.00 0.00 57.07 54.12 3kqx s TYR 176 Cb -0.09 -0.86 0.05 0.00 0.35 0.00 0.00 41.96 41.41 3kqx s TYR 176 CO 0.02 -0.17 0.75 0.00 -1.34 0.00 0.00 175.55 174.81 3kqx s MET 177 N 0.37 1.47 -0.14 4.97 0.23 -0.90 -5.01 119.30 120.29 3kqx s MET 177 Ca -0.07 -0.74 -0.07 0.00 -1.03 0.00 0.00 55.69 53.78 3kqx s MET 177 Cb -0.12 0.55 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 3kqx s MET 177 CO 0.02 -0.67 0.11 -0.06 -2.03 0.00 0.00 175.02 172.39 3kqx s PHE 178 N -3.69 3.45 0.00 3.16 0.08 -1.26 -0.66 117.98 119.05 3kqx s PHE 178 Ca 0.08 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.51 3kqx s PHE 178 Cb -0.03 -1.98 0.00 0.00 -0.57 0.00 0.00 43.02 40.44 3kqx s PHE 178 CO -0.00 0.53 0.00 0.27 -0.10 0.00 0.00 175.22 175.92 3kqx n ASN 179 N 2.51 0.00 0.30 1.36 0.23 0.44 -4.66 115.26 115.44 3kqx n ASN 179 Ca -0.19 -0.81 0.18 0.00 -0.53 0.00 0.00 54.58 53.23 3kqx n ASN 179 Cb 0.54 0.00 0.97 0.00 -2.08 0.00 0.00 39.78 39.21 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 0.00 0.00 -0.56 0.53 3.32 -1.94 -2.20 116.42 115.57 3kqx h ASP 180 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kqx h ASP 180 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kqx h ASP 180 CO 0.00 0.03 0.00 0.59 -1.72 0.00 0.00 179.24 178.14 3kqx n ASN 181 N -3.45 4.66 -1.46 6.45 3.02 -1.26 -4.91 115.26 118.31 3kqx n ASN 181 Ca -0.02 -2.55 -0.16 0.00 -0.03 0.00 0.00 54.58 51.82 3kqx n ASN 181 Cb 0.13 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.67 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 0.86 -1.17 -3.95 3.52 2.85 -0.83 -5.00 118.16 114.43 3kqx n LYS 182 Ca 0.24 0.94 -0.33 0.00 -1.05 0.00 0.00 58.31 58.11 3kqx n LYS 182 Cb 0.92 -5.20 -0.05 0.00 -0.65 0.00 0.00 35.03 30.04 3kqx n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqx s ASN 183 N -2.61 6.19 0.27 -5.58 0.02 -1.26 -4.81 114.94 107.16 3kqx s ASN 183 Ca 0.00 0.30 -0.30 0.00 -1.02 0.00 0.00 52.86 51.84 3kqx s ASN 183 Cb 0.00 -1.91 -0.09 0.00 0.02 0.00 0.00 41.25 39.27 3kqx s ASN 183 CO 0.00 0.27 1.05 -0.94 0.02 0.00 0.00 177.10 177.50 3kqx s SER 184 N -1.86 7.38 0.03 -1.22 1.04 -1.26 -0.42 113.70 117.39 3kqx s SER 184 Ca 0.26 2.17 0.01 0.00 0.48 0.00 0.00 55.95 58.87 3kqx s SER 184 Cb -0.12 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.36 3kqx s SER 184 CO 0.17 -0.05 -0.06 0.68 0.98 0.00 0.00 173.24 174.96 3kqx s VAL 185 N -1.18 0.39 -0.20 5.02 -7.23 0.16 -4.89 120.40 112.48 3kqx s VAL 185 Ca 0.44 -0.84 -0.07 0.00 -1.81 0.00 0.00 61.98 59.69 3kqx s VAL 185 Cb -0.30 -0.45 -0.04 0.00 0.56 0.00 0.00 36.38 36.15 3kqx s VAL 185 CO 0.38 -0.31 0.06 0.00 -0.31 0.00 0.00 175.10 174.93 3kqx s ALA 186 N -1.12 3.33 0.15 1.32 0.00 -1.25 -2.11 121.76 122.08 3kqx s ALA 186 Ca -0.09 -0.86 0.05 0.00 0.00 0.00 0.00 51.96 51.07 3kqx s ALA 186 Cb -0.08 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.04 3kqx s ALA 186 CO -0.00 -0.01 -0.11 0.08 0.00 0.00 0.00 175.76 175.72 3kqx s VAL 187 N 0.72 1.24 0.08 0.00 1.01 -0.64 -1.54 120.40 121.28 3kqx s VAL 187 Ca 0.03 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.94 3kqx s VAL 187 Cb -0.13 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.49 3kqx s VAL 187 CO 0.02 -0.67 0.35 0.61 0.00 0.00 0.00 175.10 175.41 3kqx n GLY 188 N -0.06 1.19 3.18 4.51 0.00 0.93 0.46 105.19 115.41 3kqx n GLY 188 Ca -0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 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 -5.08 0.10 -0.09 1.61 1.13 -1.03 -0.75 117.35 113.24 3kqx s TYR 189 Ca 0.08 -0.39 0.04 0.00 -1.41 0.00 0.00 57.07 55.38 3kqx s TYR 189 Cb -0.01 -0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.79 3kqx s TYR 189 CO 0.03 -0.45 -0.22 0.08 -2.51 0.00 0.00 175.55 172.48 3kqx s VAL 190 N -2.93 2.28 0.13 -3.49 1.01 -0.41 -2.88 120.40 114.11 3kqx s VAL 190 Ca -0.02 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.70 3kqx s VAL 190 Cb 0.01 -1.88 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 3kqx s VAL 190 CO -0.06 0.56 1.35 -0.83 0.00 0.00 0.00 175.10 176.12 3kqx s GLY 191 N 0.19 2.13 -0.15 4.51 0.00 0.81 -2.89 107.32 111.91 3kqx s GLY 191 Ca -0.13 1.10 0.16 0.00 0.00 0.00 0.00 44.72 45.85 3kqx s GLY 191 CO 0.07 2.25 1.36 0.00 0.00 0.00 0.00 173.10 176.78 3kqx n GLY 193 N -0.53 -0.66 0.54 0.00 0.00 0.09 -4.58 105.19 100.06 3kqx n GLY 193 Ca 0.19 -1.14 0.04 0.00 0.00 0.00 0.00 46.02 45.11 3kqx n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqx n SER 194 N 0.06 0.99 -4.45 1.61 3.41 -1.26 -1.53 113.62 112.45 3kqx n SER 194 Ca 0.00 -2.49 -0.34 0.00 -0.26 0.00 0.00 58.87 55.78 3kqx n SER 194 Cb 0.00 -0.31 -0.13 0.00 -0.26 0.00 0.00 64.21 63.51 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 -1.13 3.66 0.23 -3.33 1.01 -1.26 -0.30 120.40 119.27 3kqx s VAL 195 Ca 0.18 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3kqx s VAL 195 Cb 0.17 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.97 3kqx s VAL 195 CO -0.02 0.49 1.61 0.00 0.00 0.00 0.00 175.10 177.18 3kqx h ALA 196 N 6.92 0.88 -2.63 5.51 0.00 -1.94 -3.40 119.26 124.61 3kqx h ALA 196 Ca -0.31 -0.42 -0.72 0.00 0.00 0.00 0.00 54.91 53.46 3kqx h ALA 196 Cb 1.19 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.63 3kqx h ALA 196 CO 0.61 0.63 -0.45 0.16 0.00 0.00 0.00 179.25 180.20 3kqx s ASP 197 N -6.84 5.90 0.11 0.00 1.47 -1.26 -4.62 116.67 111.43 3kqx s ASP 197 Ca -0.08 -1.12 -0.30 0.00 1.18 0.00 0.00 52.55 52.23 3kqx s ASP 197 Cb 0.13 -2.08 -0.06 0.00 -0.34 0.00 0.00 42.92 40.56 3kqx s ASP 197 CO 0.82 -0.48 1.05 -0.76 0.68 0.00 0.00 175.17 176.48 3kqx s LEU 198 N 1.58 4.46 0.81 2.11 1.43 -1.26 -5.04 118.68 122.77 3kqx s LEU 198 Ca 0.03 1.91 -0.12 0.00 -1.03 0.00 0.00 54.13 54.93 3kqx s LEU 198 Cb -0.21 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.50 3kqx s LEU 198 CO 0.07 -0.21 1.12 -0.94 0.23 0.00 0.00 176.35 176.62 3kqx s SER 199 N 0.26 4.44 0.29 2.29 1.04 -1.26 -4.86 113.70 115.90 3kqx s SER 199 Ca 0.50 1.09 0.03 0.00 0.48 0.00 0.00 55.95 58.05 3kqx s SER 199 Cb -0.26 -1.75 0.66 0.00 0.10 0.00 0.00 66.02 64.77 3kqx s SER 199 CO 0.31 -1.98 1.78 -0.08 0.98 0.00 0.00 173.24 174.25 3kqx h GLU 200 N -1.10 0.71 -0.02 4.02 4.22 -1.96 -1.34 114.58 119.11 3kqx h GLU 200 Ca -0.47 -0.04 -0.17 0.00 0.08 0.00 0.00 59.36 58.75 3kqx h GLU 200 Cb 1.29 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3kqx h GLU 200 CO 0.62 0.47 -0.76 0.00 -2.18 0.00 0.00 179.01 177.16 3kqx h ALA 201 N 1.61 0.67 -0.23 2.92 0.00 -1.95 -2.01 119.26 120.26 3kqx h ALA 201 Ca 0.54 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kqx h ALA 201 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3kqx h ALA 201 CO -0.37 0.85 0.08 -0.44 0.00 0.00 0.00 179.25 179.37 3kqx h ASP 202 N 0.12 0.34 -0.68 0.00 3.32 -1.74 -2.66 116.42 115.12 3kqx h ASP 202 Ca -0.03 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.76 3kqx h ASP 202 Cb 1.34 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 3kqx h ASP 202 CO 0.11 0.44 0.17 -0.03 -1.72 0.00 0.00 179.24 178.21 3kqx h MET 203 N 0.21 1.09 -1.00 3.56 4.05 -1.14 -1.29 114.93 120.42 3kqx h MET 203 Ca 0.08 -0.26 0.05 0.00 -0.28 0.00 0.00 59.70 59.29 3kqx h MET 203 Cb 0.22 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 3kqx h MET 203 CO -0.00 0.97 0.65 -0.22 0.23 0.00 0.00 176.91 178.54 3kqx h LYS 204 N 1.02 1.18 -0.05 0.39 3.64 -1.23 -0.40 116.57 121.12 3kqx h LYS 204 Ca 0.21 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kqx h LYS 204 Cb 0.37 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3kqx h LYS 204 CO 0.00 0.78 0.03 -0.09 -2.27 0.00 0.00 179.45 177.90 3kqx h ARG 205 N 1.22 0.07 -0.99 1.90 9.65 -0.91 0.11 114.38 125.41 3kqx h ARG 205 Ca 0.42 -0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.41 3kqx h ARG 205 Cb 0.10 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.58 3kqx h ARG 205 CO -0.15 0.09 0.63 0.28 2.80 0.00 0.00 179.97 183.61 3kqx h VAL 206 N 0.03 0.92 -0.20 0.20 2.07 -0.65 -1.87 116.25 116.75 3kqx h VAL 206 Ca 0.02 -0.34 -0.11 0.00 0.82 0.00 0.00 66.70 67.09 3kqx h VAL 206 Cb 0.04 -0.14 -0.00 0.00 -1.52 0.00 0.00 31.29 29.66 3kqx h VAL 206 CO -0.00 0.18 -0.32 0.58 0.02 0.00 0.00 177.57 178.03 3kqx h VAL 207 N 0.98 1.33 -0.87 2.57 2.07 -0.49 -1.89 116.25 119.96 3kqx h VAL 207 Ca 0.49 -1.53 0.05 0.00 0.82 0.00 0.00 66.70 66.53 3kqx h VAL 207 Cb 0.50 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 3kqx h VAL 207 CO -0.26 0.47 0.54 -0.07 0.02 0.00 0.00 177.57 178.28 3kqx h LEU 208 N 0.24 0.87 -0.40 2.57 3.38 -0.61 0.35 115.31 121.72 3kqx h LEU 208 Ca 0.02 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kqx h LEU 208 Cb 0.90 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3kqx h LEU 208 CO 0.07 0.57 0.19 0.28 0.09 0.00 0.00 178.44 179.64 3kqx h SER 209 N 1.01 0.53 -0.66 -0.43 0.02 -1.18 -1.80 113.55 111.03 3kqx h SER 209 Ca 0.37 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3kqx h SER 209 Cb 0.12 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3kqx h SER 209 CO -0.16 0.51 0.41 0.25 -1.14 0.00 0.00 176.83 176.70 3kqx h LEU 210 N 0.50 0.78 -1.06 5.07 5.85 -0.55 -2.78 115.31 123.13 3kqx h LEU 210 Ca 0.14 -0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3kqx h LEU 210 Cb 0.13 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3kqx h LEU 210 CO -0.02 0.60 -0.17 0.58 -0.34 0.00 0.00 178.44 179.09 3kqx h VAL 211 N 0.89 1.24 0.00 1.05 2.07 -0.06 -1.13 116.25 120.31 3kqx h VAL 211 Ca 0.24 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.66 3kqx h VAL 211 Cb -0.05 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3kqx h VAL 211 CO -0.05 0.35 -0.02 0.71 0.02 0.00 0.00 177.57 178.59 3kqx h THR 212 N 0.43 0.27 0.00 2.57 1.35 -1.05 -0.65 112.91 115.83 3kqx h THR 212 Ca 0.07 -0.12 -0.10 0.00 -0.55 0.00 0.00 66.41 65.72 3kqx h THR 212 Cb 0.55 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3kqx h THR 212 CO 0.04 0.02 -0.47 0.24 -0.25 0.00 0.00 175.52 175.09 3kqx h MET 213 N 0.00 0.00 0.05 4.72 2.07 -1.11 -3.25 114.93 117.42 3kqx h MET 213 Ca -0.00 0.00 -0.27 0.00 -2.07 0.00 0.00 59.70 57.36 3kqx h MET 213 Cb 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 29.79 3kqx h MET 213 CO 0.00 0.47 -1.38 -0.07 1.07 0.00 0.00 176.91 177.00 3kqx h LEU 214 N 0.00 0.17 -9.89 1.22 3.38 -0.90 -3.43 115.31 105.87 3kqx h LEU 214 Ca -0.00 -0.23 -0.51 0.00 0.09 0.00 0.00 57.88 57.22 3kqx h LEU 214 Cb 1.30 -0.06 0.04 0.00 0.09 0.00 0.00 40.66 42.03 3kqx h LEU 214 CO 0.06 1.19 0.53 -1.00 0.09 0.00 0.00 178.44 179.32 3kqx s HIS 215 N -2.65 3.21 -1.66 1.13 3.76 -0.60 -3.47 115.29 115.02 3kqx s HIS 215 Ca -0.04 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.42 3kqx s HIS 215 Cb 0.08 -3.44 0.00 0.00 1.11 0.00 0.00 32.58 30.33 3kqx s HIS 215 CO 0.84 -1.24 0.00 -0.25 -0.85 0.00 0.00 174.74 173.24 3kqx n ASP 216 N 0.60 -5.01 -3.64 1.40 8.00 -1.26 -4.95 116.55 111.68 3kqx n ASP 216 Ca 0.02 0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.52 3kqx n ASP 216 Cb 0.45 -4.04 -0.17 0.00 -0.02 0.00 0.00 41.12 37.33 3kqx n ASP 216 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kqx s ASN 217 N -2.60 2.05 -0.66 -2.24 3.84 -1.23 -5.10 114.94 109.01 3kqx s ASN 217 Ca 0.00 -0.43 -0.27 0.00 0.21 0.00 0.00 52.86 52.37 3kqx s ASN 217 Cb 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 41.25 40.45 3kqx s ASN 217 CO 0.00 -0.31 1.56 -0.54 -2.79 0.00 0.00 177.10 175.02 3kqx s LYS 218 N 2.12 2.95 0.03 0.43 1.02 -1.26 -4.93 119.74 120.09 3kqx s LYS 218 Ca 0.03 0.24 0.09 0.00 0.02 0.00 0.00 55.97 56.34 3kqx s LYS 218 Cb -0.15 -4.27 -0.03 0.00 -0.52 0.00 0.00 37.83 32.87 3kqx s LYS 218 CO -0.07 -2.38 -0.26 -0.51 -0.92 0.00 0.00 175.35 171.21 3kqx s LEU 219 N 7.28 2.17 0.17 3.17 1.43 -1.26 -5.03 118.68 126.61 3kqx s LEU 219 Ca 0.52 -0.55 0.20 0.00 -1.03 0.00 0.00 54.13 53.27 3kqx s LEU 219 Cb -0.11 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 3kqx s LEU 219 CO 0.19 0.27 1.02 0.77 0.23 0.00 0.00 176.35 178.84 3kqx h SER 220 N 4.95 0.00 -4.06 2.29 4.64 -1.92 -3.30 113.55 116.14 3kqx h SER 220 Ca -0.46 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.70 3kqx h SER 220 Cb 1.14 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.98 3kqx h SER 220 CO 0.45 0.25 -0.43 -0.75 -0.87 0.00 0.00 176.83 175.48 3kqx s LYS 221 N -3.16 0.34 -0.02 4.77 2.20 -1.26 -0.92 119.74 121.69 3kqx s LYS 221 Ca -0.01 0.20 0.08 0.00 -0.36 0.00 0.00 55.97 55.88 3kqx s LYS 221 Cb 0.09 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 3kqx s LYS 221 CO 0.79 -0.06 -0.26 -1.17 -0.36 0.00 0.00 175.35 174.30 3kqx s LEU 222 N -0.19 2.08 -0.06 5.43 2.96 -0.78 -2.16 118.68 125.97 3kqx s LEU 222 Ca -0.03 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3kqx s LEU 222 Cb -0.03 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.33 3kqx s LEU 222 CO 0.01 0.32 -0.12 -0.89 -1.32 0.00 0.00 176.35 174.35 3kqx s THR 223 N -0.62 1.07 -0.08 3.68 2.01 -0.51 -0.69 115.64 120.49 3kqx s THR 223 Ca 0.10 -0.45 0.05 0.00 0.31 0.00 0.00 61.69 61.70 3kqx s THR 223 Cb -0.10 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.43 3kqx s THR 223 CO -0.01 0.34 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.34 3kqx s VAL 224 N 0.59 2.18 -0.23 3.82 1.01 0.14 0.11 120.40 128.02 3kqx s VAL 224 Ca -0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.84 3kqx s VAL 224 Cb -0.15 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3kqx s VAL 224 CO 0.03 0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 174.92 3kqx s VAL 225 N 0.06 2.90 -0.61 2.92 1.01 0.83 -1.11 120.40 126.40 3kqx s VAL 225 Ca -0.10 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 3kqx s VAL 225 Cb -0.16 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.89 3kqx s VAL 225 CO 0.06 0.33 1.03 -0.36 0.00 0.00 0.00 175.10 176.15 3kqx s PHE 226 N 1.37 2.66 -0.43 5.22 0.40 -0.55 -0.59 117.98 126.05 3kqx s PHE 226 Ca 0.03 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.28 3kqx s PHE 226 Cb -0.15 -4.27 0.60 0.00 0.51 0.00 0.00 43.02 39.71 3kqx s PHE 226 CO -0.06 -1.57 1.81 0.39 0.70 0.00 0.00 175.22 176.49 3kqx n GLU 227 N 7.93 2.22 -4.08 0.44 1.02 -0.20 -4.70 120.64 123.27 3kqx n GLU 227 Ca 0.01 -3.11 -0.11 0.00 -0.02 0.00 0.00 57.16 53.93 3kqx n GLU 227 Cb 0.47 -2.11 -0.11 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 -3.48 0.50 -0.07 -3.67 -4.36 -1.24 -4.46 121.20 104.41 3kqx s ILE 228 Ca 0.55 -1.34 -0.23 0.00 -0.26 0.00 0.00 60.65 59.36 3kqx s ILE 228 Cb 0.46 -0.91 -0.04 0.00 1.25 0.00 0.00 42.46 43.23 3kqx s ILE 228 CO 0.07 -0.58 0.71 0.20 0.24 0.00 0.00 174.94 175.58 3kqx s ASN 229 N -2.05 6.98 0.01 4.36 0.01 -1.26 -5.03 114.94 117.95 3kqx s ASN 229 Ca -0.04 1.18 -0.00 0.00 -0.71 0.00 0.00 52.86 53.29 3kqx s ASN 229 Cb -0.05 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 3kqx s ASN 229 CO -0.02 -0.14 -0.01 0.68 -1.51 0.00 0.00 177.10 176.11 3kqx s VAL 230 N 0.90 0.07 1.00 1.60 -7.23 -1.26 -4.76 120.40 110.71 3kqx s VAL 230 Ca 0.37 -0.55 -0.17 0.00 -1.81 0.00 0.00 61.98 59.83 3kqx s VAL 230 Cb -0.18 -0.18 0.22 0.00 0.56 0.00 0.00 36.38 36.80 3kqx s VAL 230 CO 0.18 -0.30 1.32 1.51 -0.31 0.00 0.00 175.10 177.49 3kqx s ASP 231 N -0.89 2.79 0.19 4.85 1.47 -1.26 -4.81 116.67 119.01 3kqx s ASP 231 Ca -0.10 0.26 -0.13 0.00 1.18 0.00 0.00 52.55 53.76 3kqx s ASP 231 Cb -0.06 -0.28 0.10 0.00 -0.34 0.00 0.00 42.92 42.34 3kqx s ASP 231 CO -0.00 -2.93 1.86 0.11 0.68 0.00 0.00 175.17 174.88 3kqx h LYS 232 N -1.78 0.81 -0.58 2.11 1.57 -1.99 -1.03 116.57 115.68 3kqx h LYS 232 Ca -0.44 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.20 3kqx h LYS 232 Cb 1.23 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.34 3kqx h LYS 232 CO 0.35 0.54 0.01 -0.91 -0.57 0.00 0.00 179.45 178.87 3kqx h ASN 233 N 0.84 0.97 0.20 0.86 2.35 -1.93 -1.48 115.58 117.40 3kqx h ASN 233 Ca 0.23 -0.26 -0.15 0.00 -0.55 0.00 0.00 56.30 55.56 3kqx h ASN 233 Cb -0.09 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 3kqx h ASN 233 CO -0.05 1.02 -0.58 0.25 -1.65 0.00 0.00 177.43 176.41 3kqx h LEU 234 N 0.92 0.44 0.01 1.61 5.85 -1.84 -1.66 115.31 120.63 3kqx h LEU 234 Ca 0.17 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 3kqx h LEU 234 Cb 0.52 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3kqx h LEU 234 CO 0.03 0.92 -0.01 0.15 -0.34 0.00 0.00 178.44 179.19 3kqx h PHE 235 N 0.29 -0.02 -0.71 1.25 3.57 -0.92 0.19 116.94 120.60 3kqx h PHE 235 Ca -0.00 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.57 3kqx h PHE 235 Cb 1.10 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 39.78 3kqx h PHE 235 CO 0.03 0.01 0.38 -0.09 -2.23 0.00 0.00 178.31 176.42 3kqx h ARG 236 N -0.05 0.66 -0.52 1.11 2.43 -1.14 -2.28 114.38 114.60 3kqx h ARG 236 Ca -0.00 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3kqx h ARG 236 Cb 0.04 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3kqx h ARG 236 CO 0.00 0.43 0.29 0.35 -1.51 0.00 0.00 179.97 179.53 3kqx h PHE 237 N 0.68 0.71 -0.59 2.20 3.57 -0.98 -0.28 116.94 122.25 3kqx h PHE 237 Ca 0.33 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.93 3kqx h PHE 237 Cb 0.27 -0.23 -0.12 0.00 2.79 0.00 0.00 35.95 38.67 3kqx h PHE 237 CO -0.09 0.52 -0.21 0.35 -2.23 0.00 0.00 178.31 176.66 3kqx h PHE 238 N 0.69 -0.50 -0.25 0.41 3.57 -0.19 -2.10 116.94 118.58 3kqx h PHE 238 Ca 0.18 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.72 3kqx h PHE 238 Cb 0.05 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3kqx h PHE 238 CO -0.02 -0.30 0.06 -0.07 -2.23 0.00 0.00 178.31 175.75 3kqx h LEU 239 N -0.06 0.37 -0.59 0.59 3.38 -0.76 -1.68 115.31 116.56 3kqx h LEU 239 Ca 0.27 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3kqx h LEU 239 Cb 0.49 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 3kqx h LEU 239 CO -0.64 0.51 0.38 -0.33 0.09 0.00 0.00 178.44 178.45 3kqx h GLU 240 N 0.22 0.75 -0.20 1.13 5.08 -0.98 0.08 114.58 120.65 3kqx h GLU 240 Ca 0.08 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3kqx h GLU 240 Cb 0.28 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3kqx h GLU 240 CO 0.00 0.49 -0.24 1.15 -1.00 0.00 0.00 179.01 179.41 3kqx h THR 241 N 0.77 1.33 -0.00 1.13 2.02 -1.37 -0.22 112.91 116.56 3kqx h THR 241 Ca 0.22 -1.43 0.03 0.00 0.77 0.00 0.00 66.41 66.01 3kqx h THR 241 Cb -0.06 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.09 3kqx h THR 241 CO -0.06 0.44 -0.25 0.25 0.37 0.00 0.00 175.52 176.26 3kqx h LEU 242 N 0.20 -0.74 -0.15 2.58 5.85 -1.08 0.48 115.31 122.45 3kqx h LEU 242 Ca 0.03 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.86 3kqx h LEU 242 Cb 0.80 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3kqx h LEU 242 CO 0.06 -0.32 0.08 -0.26 -0.34 0.00 0.00 178.44 177.66 3kqx h PHE 243 N -0.39 0.15 -0.50 1.25 0.04 -0.97 -0.87 116.94 115.66 3kqx h PHE 243 Ca 0.06 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3kqx h PHE 243 Cb 0.47 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.55 3kqx h PHE 243 CO -0.29 0.09 0.16 -0.92 -0.60 0.00 0.00 178.31 176.74 3kqx h TYR 244 N 0.17 0.80 0.00 -0.55 3.20 -0.64 -1.72 116.97 118.24 3kqx h TYR 244 Ca 0.06 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.71 3kqx h TYR 244 Cb 0.00 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 3kqx h TYR 244 CO -0.09 0.70 -0.65 0.93 -1.64 0.00 0.00 178.16 177.41 3kqx h GLU 245 N 0.68 0.00 -0.03 1.82 4.39 0.02 -3.16 114.58 118.30 3kqx h GLU 245 Ca 0.16 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.61 3kqx h GLU 245 Cb 0.27 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3kqx h GLU 245 CO -0.00 0.65 -0.97 -0.92 -1.16 0.00 0.00 179.01 176.61 3kqx h TYR 246 N 0.00 0.96 -3.00 4.33 3.20 -1.03 -3.45 116.97 117.98 3kqx h TYR 246 Ca -0.01 -0.50 -0.53 0.00 3.14 0.00 0.00 58.73 60.84 3kqx h TYR 246 Cb 1.31 -0.12 0.05 0.00 1.54 0.00 0.00 36.73 39.51 3kqx h TYR 246 CO 0.00 1.33 0.86 1.41 -1.64 0.00 0.00 178.16 180.12 3kqx s MET 247 N -3.39 4.22 -0.14 1.82 1.75 -0.66 -5.02 119.30 117.88 3kqx s MET 247 Ca -0.09 2.38 -0.00 0.00 -1.25 0.00 0.00 55.69 56.73 3kqx s MET 247 Cb 0.08 -3.13 -0.01 0.00 2.84 0.00 0.00 34.83 34.61 3kqx s MET 247 CO 0.91 -0.57 -0.14 0.99 -0.65 0.00 0.00 175.02 175.56 3kqx s THR 248 N 0.76 2.91 -0.52 10.11 2.01 -1.26 -4.97 115.64 124.69 3kqx s THR 248 Ca 0.67 -0.70 -0.25 0.00 0.31 0.00 0.00 61.69 61.72 3kqx s THR 248 Cb -0.44 -2.22 0.03 0.00 0.01 0.00 0.00 72.50 69.88 3kqx s THR 248 CO 0.36 0.52 0.97 -0.62 -0.69 0.00 0.00 174.62 175.16 3kqx s ASP 249 N 0.53 6.43 -0.19 3.53 -1.08 -1.26 -4.89 116.67 119.74 3kqx s ASP 249 Ca -0.09 -0.07 0.15 0.00 -0.52 0.00 0.00 52.55 52.01 3kqx s ASP 249 Cb -0.16 -2.46 0.42 0.00 -1.46 0.00 0.00 42.92 39.26 3kqx s ASP 249 CO 0.04 -1.19 1.29 -0.62 0.52 0.00 0.00 175.17 175.21 3kqx n GLU 250 N 7.48 1.84 0.15 4.34 1.02 -1.26 -4.73 120.64 129.48 3kqx n GLU 250 Ca 0.05 -2.91 0.11 0.00 -0.02 0.00 0.00 57.16 54.39 3kqx n GLU 250 Cb 0.48 -1.67 0.63 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.82 0.06 -0.39 3.49 3.08 -1.98 -2.89 114.38 116.58 3kqx h ARG 251 Ca 0.04 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3kqx h ARG 251 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3kqx h ARG 251 CO 0.13 0.04 0.00 1.19 -1.07 0.00 0.00 179.97 180.26 3kqx n PHE 252 N -4.49 0.51 -2.84 3.04 3.01 -1.26 -4.93 117.46 110.50 3kqx n PHE 252 Ca 0.02 -0.40 -0.40 0.00 1.01 0.00 0.00 57.45 57.68 3kqx n PHE 252 Cb 0.25 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.06 4.70 0.00 -1.08 -0.14 -1.09 -4.98 119.74 116.09 3kqx s LYS 253 Ca 0.29 1.34 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 3kqx s LYS 253 Cb 0.16 -3.31 0.00 0.00 -1.68 0.00 0.00 37.83 33.00 3kqx s LYS 253 CO 0.21 0.44 0.00 0.45 -0.76 0.00 0.00 175.35 175.69 3kqx n SER 254 N 1.98 0.00 0.28 2.83 2.88 -1.26 -4.88 113.62 115.45 3kqx n SER 254 Ca -0.02 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.68 3kqx n SER 254 Cb 0.48 0.00 0.78 0.00 -0.75 0.00 0.00 64.21 64.73 3kqx n SER 254 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3kqx h THR 255 N 0.00 0.21 -2.45 2.46 1.35 -2.03 -3.55 112.91 108.90 3kqx h THR 255 Ca 0.00 -0.48 -0.46 0.00 -0.55 0.00 0.00 66.41 64.91 3kqx h THR 255 Cb 0.00 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3kqx h THR 255 CO 0.00 0.06 -0.29 -1.81 -0.25 0.00 0.00 175.52 173.22 3kqx s ASP 256 N -5.76 6.24 -0.21 5.36 1.01 -1.26 -5.33 116.67 116.71 3kqx s ASP 256 Ca -0.01 0.22 -0.01 0.00 0.71 0.00 0.00 52.55 53.46 3kqx s ASP 256 Cb 0.11 -1.84 0.06 0.00 1.01 0.00 0.00 42.92 42.25 3kqx s ASP 256 CO 0.54 -0.25 -0.02 -1.61 0.21 0.00 0.00 175.17 174.04 3kqx s GLU 262 N -4.19 1.23 0.25 8.23 2.02 -1.26 -4.96 118.70 120.02 3kqx s GLU 262 Ca 0.39 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 54.54 3kqx s GLU 262 Cb -0.09 -2.33 -0.08 0.00 0.10 0.00 0.00 34.13 31.72 3kqx s GLU 262 CO 0.33 -0.59 0.62 0.71 0.02 0.00 0.00 175.26 176.35 3kqx s TYR 263 N 1.60 3.43 0.71 1.61 1.51 -1.26 -4.63 117.35 120.32 3kqx s TYR 263 Ca -0.03 1.04 -0.16 0.00 -1.01 0.00 0.00 57.07 56.90 3kqx s TYR 263 Cb -0.18 -2.38 -0.00 0.00 -0.11 0.00 0.00 41.96 39.29 3kqx s TYR 263 CO -0.07 0.22 0.92 0.44 -1.11 0.00 0.00 175.55 175.95 3kqx n ILE 264 N -0.10 2.77 0.62 2.71 -5.35 -1.24 -4.87 119.36 113.91 3kqx n ILE 264 Ca 0.01 -0.38 0.10 0.00 -0.27 0.00 0.00 62.75 62.20 3kqx n ILE 264 Cb 0.53 -1.06 -0.13 0.00 -1.74 0.00 0.00 39.64 37.23 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 -1.67 0.43 -4.00 6.28 5.02 -0.10 -4.68 118.16 119.44 3kqx n LYS 265 Ca 0.13 -0.07 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 3kqx n LYS 265 Cb 0.49 -1.47 -0.13 0.00 -0.02 0.00 0.00 35.03 33.90 3kqx n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kqx s HIS 266 N -3.09 0.29 -0.15 2.13 3.76 -1.03 -1.00 115.29 116.20 3kqx s HIS 266 Ca 0.02 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 3kqx s HIS 266 Cb 0.15 -0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.68 3kqx s HIS 266 CO 0.84 -0.06 -0.10 -1.17 -0.85 0.00 0.00 174.74 173.40 3kqx s LEU 267 N -0.63 1.59 -0.06 0.89 2.96 -0.09 -1.87 118.68 121.46 3kqx s LEU 267 Ca -0.05 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.32 3kqx s LEU 267 Cb -0.04 -1.03 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3kqx s LEU 267 CO -0.00 -0.11 0.11 -0.83 -1.32 0.00 0.00 176.35 174.20 3kqx s GLY 268 N 1.57 2.07 -0.06 7.98 0.00 0.14 -0.78 107.32 118.24 3kqx s GLY 268 Ca 0.03 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 44.01 3kqx s GLY 268 CO -0.09 -0.56 -0.07 0.14 0.00 0.00 0.00 173.10 172.52 3kqx s VAL 269 N -1.10 0.77 -0.17 1.40 1.01 0.23 -0.69 120.40 121.85 3kqx s VAL 269 Ca 0.19 -0.23 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3kqx s VAL 269 Cb -0.12 -0.77 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3kqx s VAL 269 CO 0.09 0.29 -0.03 -0.31 0.00 0.00 0.00 175.10 175.14 3kqx s TYR 270 N 1.03 3.02 0.00 5.22 1.51 -0.27 0.32 117.35 128.19 3kqx s TYR 270 Ca -0.09 -0.39 -0.16 0.00 -1.01 0.00 0.00 57.07 55.42 3kqx s TYR 270 Cb -0.14 -2.00 0.03 0.00 -0.11 0.00 0.00 41.96 39.73 3kqx s TYR 270 CO -0.00 -0.13 0.34 -1.50 -1.11 0.00 0.00 175.55 173.15 3kqx s ILE 271 N 0.61 0.06 0.39 2.71 2.07 -0.46 -1.48 121.20 125.10 3kqx s ILE 271 Ca -0.02 -0.49 -0.26 0.00 -1.41 0.00 0.00 60.65 58.47 3kqx s ILE 271 Cb -0.14 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.62 3kqx s ILE 271 CO 0.02 -0.27 1.28 0.20 -1.91 0.00 0.00 174.94 174.26 3kqx s ASN 272 N -1.53 6.41 -1.35 4.50 0.01 -1.26 -2.34 114.94 119.38 3kqx s ASN 272 Ca -0.11 2.60 -0.05 0.00 -0.71 0.00 0.00 52.86 54.59 3kqx s ASN 272 Cb -0.04 -2.64 0.02 0.00 0.41 0.00 0.00 41.25 39.01 3kqx s ASN 272 CO 0.02 -0.78 0.95 0.59 -1.51 0.00 0.00 177.10 176.38 3kqx n ASN 273 N 0.21 -3.42 -0.25 -1.22 3.02 -1.26 -4.86 115.26 107.48 3kqx n ASN 273 Ca 0.03 -0.70 0.16 0.00 -0.03 0.00 0.00 54.58 54.05 3kqx n ASN 273 Cb 0.44 -4.50 0.47 0.00 -0.61 0.00 0.00 39.78 35.57 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 0.93 2.06 0.00 5.41 0.00 -1.83 -1.74 119.26 124.10 3kqx h ALA 274 Ca -0.59 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 3kqx h ALA 274 Cb 1.36 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kqx h ALA 274 CO 0.57 -0.33 -0.16 -0.44 0.00 0.00 0.00 179.25 178.89 3kqx h ASP 275 N 0.50 0.00 1.63 0.00 5.19 -1.91 -0.46 116.42 121.37 3kqx h ASP 275 Ca 0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 3kqx h ASP 275 Cb 1.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.51 3kqx h ASP 275 CO -0.19 0.16 0.00 0.71 -3.12 0.00 0.00 179.24 176.80 3kqx h THR 276 N 0.00 0.00 0.00 0.35 1.35 -1.68 -3.32 112.91 109.61 3kqx h THR 276 Ca -0.00 -0.74 -0.09 0.00 -0.55 0.00 0.00 66.41 65.03 3kqx h THR 276 Cb 0.32 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 3kqx h THR 276 CO 0.02 0.00 -1.57 -1.22 -0.25 0.00 0.00 175.52 172.51 3kqx n TYR 277 N -2.84 0.58 -0.27 4.73 4.02 -0.23 -4.34 117.16 118.81 3kqx n TYR 277 Ca 0.04 0.18 0.08 0.00 -0.01 0.00 0.00 57.90 58.18 3kqx n TYR 277 Cb 0.45 -0.87 0.20 0.00 -0.02 0.00 0.00 39.34 39.11 3kqx n TYR 277 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3kqx h LYS 278 N 0.00 0.15 -0.27 -0.72 1.57 -1.52 -0.17 116.57 115.61 3kqx h LYS 278 Ca -0.11 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3kqx h LYS 278 Cb 1.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 3kqx h LYS 278 CO 0.02 0.10 0.29 1.05 -0.57 0.00 0.00 179.45 180.34 3kqx h GLU 279 N 0.16 0.00 0.00 3.15 9.09 -1.78 -2.38 114.58 122.81 3kqx h GLU 279 Ca 0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.87 3kqx h GLU 279 Cb 0.84 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.94 3kqx h GLU 279 CO -0.65 0.00 0.00 0.39 0.05 0.00 0.00 179.01 178.80 3kqx n GLU 280 N -3.79 0.22 0.04 1.06 -0.58 -0.08 -4.02 120.64 113.49 3kqx n GLU 280 Ca 0.04 0.32 -0.13 0.00 -0.42 0.00 0.00 57.16 56.97 3kqx n GLU 280 Cb 0.43 -1.83 -0.09 0.00 -0.57 0.00 0.00 31.44 29.38 3kqx n GLU 280 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kqx h VAL 281 N 0.00 1.13 0.00 2.62 2.07 -1.55 0.51 116.25 121.03 3kqx h VAL 281 Ca 0.00 -0.85 -0.15 0.00 0.82 0.00 0.00 66.70 66.53 3kqx h VAL 281 Cb 0.53 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3kqx h VAL 281 CO 0.00 0.21 -0.69 -0.33 0.02 0.00 0.00 177.57 176.78 3kqx h GLU 282 N -0.50 0.00 -0.66 1.57 4.39 -1.78 -2.17 114.58 115.43 3kqx h GLU 282 Ca -0.01 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.75 3kqx h GLU 282 Cb 0.42 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.02 3kqx h GLU 282 CO 0.02 0.69 0.36 -0.22 -1.16 0.00 0.00 179.01 178.70 3kqx h LYS 283 N 0.00 0.64 -0.96 2.33 3.64 -1.68 -1.01 116.57 119.53 3kqx h LYS 283 Ca -0.01 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3kqx h LYS 283 Cb 1.42 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 3kqx h LYS 283 CO 0.09 0.42 0.58 0.00 -2.27 0.00 0.00 179.45 178.28 3kqx h ALA 284 N 1.35 1.23 -0.50 5.00 0.00 -0.53 0.80 119.26 126.61 3kqx h ALA 284 Ca 0.30 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 3kqx h ALA 284 Cb 0.20 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kqx h ALA 284 CO -0.19 0.67 -0.15 -0.09 0.00 0.00 0.00 179.25 179.49 3kqx h ARG 285 N 1.32 0.96 0.13 0.00 2.43 -0.77 0.54 114.38 118.99 3kqx h ARG 285 Ca 0.34 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kqx h ARG 285 Cb -0.07 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3kqx h ARG 285 CO -0.07 1.04 -0.06 0.28 -1.51 0.00 0.00 179.97 179.65 3kqx h VAL 286 N 0.85 0.98 -0.77 0.20 2.07 -0.79 -2.39 116.25 116.41 3kqx h VAL 286 Ca 0.13 -0.43 0.09 0.00 0.82 0.00 0.00 66.70 67.31 3kqx h VAL 286 Cb 0.70 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 3kqx h VAL 286 CO 0.05 0.10 0.42 1.88 0.02 0.00 0.00 177.57 180.05 3kqx h TYR 287 N -0.37 0.77 -0.48 1.57 -1.99 -0.72 0.13 116.97 115.89 3kqx h TYR 287 Ca -0.02 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.80 3kqx h TYR 287 Cb 0.30 -0.23 -0.05 0.00 2.00 0.00 0.00 36.73 38.75 3kqx h TYR 287 CO -0.01 0.32 0.19 -0.92 -0.00 0.00 0.00 178.16 177.74 3kqx h TYR 288 N 0.73 0.34 0.00 4.88 3.20 -0.88 -2.14 116.97 123.09 3kqx h TYR 288 Ca 0.37 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 62.05 3kqx h TYR 288 Cb 0.33 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3kqx h TYR 288 CO -0.08 0.13 -0.90 0.35 -1.64 0.00 0.00 178.16 176.03 3kqx h PHE 289 N 0.38 0.41 -0.51 -3.82 3.57 -0.73 -0.30 116.94 115.94 3kqx h PHE 289 Ca 0.22 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.55 3kqx h PHE 289 Cb 0.20 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 3kqx h PHE 289 CO -0.14 1.04 0.25 0.78 -2.23 0.00 0.00 178.31 178.00 3kqx h GLY 290 N 1.62 0.71 0.91 2.40 0.00 -0.88 0.35 103.07 108.18 3kqx h GLY 290 Ca -0.06 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 3kqx h GLY 290 CO 0.14 0.10 -0.26 -0.84 0.00 0.00 0.00 176.54 175.68 3kqx h THR 291 N 0.48 1.32 -0.51 4.70 2.02 -1.15 -2.10 112.91 117.66 3kqx h THR 291 Ca 0.23 -1.44 -0.11 0.00 0.77 0.00 0.00 66.41 65.86 3kqx h THR 291 Cb 0.16 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.23 3kqx h THR 291 CO -0.17 0.45 -0.11 0.22 0.37 0.00 0.00 175.52 176.28 3kqx h TYR 292 N 0.32 1.07 -0.14 3.16 3.20 -0.86 0.40 116.97 124.11 3kqx h TYR 292 Ca 0.04 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3kqx h TYR 292 Cb 0.83 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3kqx h TYR 292 CO 0.08 1.00 0.09 -0.92 -1.64 0.00 0.00 178.16 176.77 3kqx h TYR 293 N 0.86 0.18 -0.49 -3.82 3.20 -0.22 0.14 116.97 116.82 3kqx h TYR 293 Ca 0.14 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.07 3kqx h TYR 293 Cb 0.65 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3kqx h TYR 293 CO 0.04 0.12 0.19 0.00 -1.64 0.00 0.00 178.16 176.86 3kqx h ALA 294 N 1.05 0.60 -0.99 1.82 0.00 -1.15 -2.26 119.26 118.34 3kqx h ALA 294 Ca 0.05 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kqx h ALA 294 Cb -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3kqx h ALA 294 CO -0.01 -0.20 0.65 1.03 0.00 0.00 0.00 179.25 180.72 3kqx h SER 295 N 0.37 1.08 -0.68 0.00 0.87 -0.68 0.17 113.55 114.68 3kqx h SER 295 Ca 0.23 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3kqx h SER 295 Cb 0.22 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.90 3kqx h SER 295 CO -0.22 0.74 0.31 1.56 -0.53 0.00 0.00 176.83 178.69 3kqx h GLN 296 N 1.25 1.02 -0.24 2.24 4.20 -0.17 -0.78 115.11 122.63 3kqx h GLN 296 Ca 0.39 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.85 3kqx h GLN 296 Cb -0.01 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.59 3kqx h GLN 296 CO -0.12 0.82 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.56 3kqx h LEU 297 N 1.01 0.61 -0.08 1.46 3.38 -0.86 -2.25 115.31 118.59 3kqx h LEU 297 Ca 0.24 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3kqx h LEU 297 Cb 0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kqx h LEU 297 CO -0.03 0.95 0.04 0.40 0.09 0.00 0.00 178.44 179.90 3kqx h ILE 298 N 0.29 1.09 0.00 1.22 2.04 -0.79 -3.04 117.51 118.32 3kqx h ILE 298 Ca 0.04 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 3kqx h ILE 298 Cb 0.77 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3kqx h ILE 298 CO 0.06 0.08 -0.22 0.00 0.00 0.00 0.00 178.15 178.07 3kqx h ALA 299 N 0.93 1.36 -2.54 1.87 0.00 -1.21 -3.41 119.26 116.26 3kqx h ALA 299 Ca 0.03 -0.20 -0.53 0.00 0.00 0.00 0.00 54.91 54.21 3kqx h ALA 299 Cb 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 17.88 3kqx h ALA 299 CO -0.00 0.27 0.84 0.00 0.00 0.00 0.00 179.25 180.36 3kqx s ALA 300 N -4.21 3.68 0.93 0.00 0.00 -0.85 -4.95 121.76 116.36 3kqx s ALA 300 Ca -0.03 1.21 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 3kqx s ALA 300 Cb 0.14 -3.60 0.15 0.00 0.00 0.00 0.00 23.12 19.80 3kqx s ALA 300 CO 0.65 -0.78 1.09 -2.14 0.00 0.00 0.00 175.76 174.58 3kqx s PRO 301 N 1.48 0.97 0.45 0.00 0.02 -1.26 -4.53 135.00 132.14 3kqx s PRO 301 Ca 0.68 0.75 0.28 0.00 0.02 0.00 0.00 61.00 62.74 3kqx s PRO 301 Cb -0.40 -1.78 0.94 0.00 0.02 0.00 0.00 34.50 33.29 3kqx s PRO 301 CO 0.31 -2.42 1.81 0.77 -0.33 0.00 0.00 177.00 177.14 3kqx h SER 302 N -1.67 0.00 0.16 2.53 0.02 -1.82 0.26 113.55 113.03 3kqx h SER 302 Ca -0.51 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.34 3kqx h SER 302 Cb 1.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3kqx h SER 302 CO 0.55 0.00 -0.35 -0.55 -1.14 0.00 0.00 176.83 175.34 3kqx h ASN 303 N 0.00 0.28 0.11 3.07 -1.07 -1.94 -3.30 115.58 112.74 3kqx h ASN 303 Ca 0.00 -0.11 -0.19 0.00 0.07 0.00 0.00 56.30 56.08 3kqx h ASN 303 Cb 0.67 -0.08 0.01 0.00 -2.07 0.00 0.00 38.32 36.86 3kqx h ASN 303 CO 0.00 0.62 -0.88 1.88 0.07 0.00 0.00 177.43 179.12 3kqx h TYR 304 N 0.24 0.42 -3.68 4.14 0.05 -1.55 -3.42 116.97 113.16 3kqx h TYR 304 Ca 0.03 -0.31 -0.75 0.00 0.05 0.00 0.00 58.73 57.75 3kqx h TYR 304 Cb 0.74 -0.02 -0.30 0.00 1.01 0.00 0.00 36.73 38.16 3kqx h TYR 304 CO 0.01 1.34 -0.11 0.00 -1.05 0.00 0.00 178.16 178.36 3kqx s ASN 306 N 1.58 4.02 0.36 0.00 2.20 -1.25 -4.32 114.94 117.54 3kqx s ASN 306 Ca 0.17 -1.42 0.09 0.00 -0.94 0.00 0.00 52.86 50.76 3kqx s ASN 306 Cb -0.15 -0.13 0.82 0.00 -2.00 0.00 0.00 41.25 39.79 3kqx s ASN 306 CO -0.06 -0.59 1.90 -0.65 -2.94 0.00 0.00 177.10 174.76 3kqx h PRO 307 N 1.59 0.66 -0.02 3.55 0.11 -1.87 0.06 132.00 136.08 3kqx h PRO 307 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3kqx h PRO 307 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kqx h PRO 307 CO 0.77 0.44 -0.07 0.28 -0.21 0.00 0.00 178.00 179.22 3kqx h VAL 308 N 0.68 1.46 -0.02 3.15 2.07 -1.94 -2.73 116.25 118.93 3kqx h VAL 308 Ca 0.41 -1.47 -0.12 0.00 0.82 0.00 0.00 66.70 66.33 3kqx h VAL 308 Cb 0.61 2.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 3kqx h VAL 308 CO -0.17 0.40 -0.54 0.77 0.02 0.00 0.00 177.57 178.04 3kqx h SER 309 N -0.48 0.06 -0.23 0.57 4.64 -1.80 -0.84 113.55 115.47 3kqx h SER 309 Ca -0.00 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3kqx h SER 309 Cb 0.68 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3kqx h SER 309 CO 0.01 0.59 0.02 0.25 -0.87 0.00 0.00 176.83 176.84 3kqx h LEU 310 N 0.04 0.38 -0.84 5.97 5.85 -1.09 -0.92 115.31 124.70 3kqx h LEU 310 Ca -0.00 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.37 3kqx h LEU 310 Cb 0.98 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 3kqx h LEU 310 CO 0.07 0.57 0.16 0.77 -0.34 0.00 0.00 178.44 179.67 3kqx h SER 311 N 0.17 0.97 -0.95 1.25 4.64 -1.41 -1.86 113.55 116.36 3kqx h SER 311 Ca 0.07 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.21 3kqx h SER 311 Cb 0.36 -0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 3kqx h SER 311 CO 0.01 0.93 0.63 0.78 -0.87 0.00 0.00 176.83 178.31 3kqx h ASN 312 N 0.98 1.06 -0.66 4.97 2.35 -1.06 -1.10 115.58 122.13 3kqx h ASN 312 Ca 0.21 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3kqx h ASN 312 Cb 0.34 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3kqx h ASN 312 CO 0.00 0.75 0.33 0.00 -1.65 0.00 0.00 177.43 176.86 3kqx h ALA 313 N 1.37 1.29 -0.52 -0.83 0.00 -0.80 -1.37 119.26 118.40 3kqx h ALA 313 Ca 0.36 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 3kqx h ALA 313 Cb -0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3kqx h ALA 313 CO -0.10 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 3kqx h ALA 314 N 1.39 0.92 -0.00 0.00 0.00 -0.82 -0.22 119.26 120.53 3kqx h ALA 314 Ca 0.24 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kqx h ALA 314 Cb 0.10 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3kqx h ALA 314 CO -0.03 0.63 0.00 0.28 0.00 0.00 0.00 179.25 180.13 3kqx h VAL 315 N 0.83 1.05 -0.49 0.00 2.07 -0.86 -1.00 116.25 117.84 3kqx h VAL 315 Ca 0.14 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kqx h VAL 315 Cb 0.58 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3kqx h VAL 315 CO 0.04 0.04 0.20 -0.08 0.02 0.00 0.00 177.57 177.79 3kqx h GLU 316 N -0.06 0.73 -0.44 1.57 4.81 -0.97 0.86 114.58 121.09 3kqx h GLU 316 Ca 0.00 -0.13 0.09 0.00 -0.13 0.00 0.00 59.36 59.19 3kqx h GLU 316 Cb 0.06 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.24 3kqx h GLU 316 CO -0.00 0.65 -0.10 1.25 -0.73 0.00 0.00 179.01 180.08 3kqx h LEU 317 N 0.66 -0.38 -0.94 1.64 5.85 -0.97 -1.55 115.31 119.61 3kqx h LEU 317 Ca 0.17 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3kqx h LEU 317 Cb 0.19 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3kqx h LEU 317 CO -0.01 -0.14 0.53 0.00 -0.34 0.00 0.00 178.44 178.47 3kqx h ALA 318 N 1.43 1.20 -0.53 1.25 0.00 -0.25 -1.73 119.26 120.63 3kqx h ALA 318 Ca 0.21 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 3kqx h ALA 318 Cb 0.32 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kqx h ALA 318 CO -0.44 0.66 -0.08 1.96 0.00 0.00 0.00 179.25 181.35 3kqx h GLN 319 N 1.28 0.98 0.00 0.00 4.20 -0.47 0.10 115.11 121.20 3kqx h GLN 319 Ca 0.33 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3kqx h GLN 319 Cb -0.01 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kqx h GLN 319 CO -0.06 1.01 -0.31 0.87 -0.67 0.00 0.00 178.83 179.68 3kqx h LYS 320 N 0.88 0.00 -0.02 1.46 1.57 -0.98 -3.25 116.57 116.23 3kqx h LYS 320 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kqx h LYS 320 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3kqx h LYS 320 CO 0.04 0.31 -0.15 1.28 -0.57 0.00 0.00 179.45 180.36 3kqx n LEU 321 N -3.59 2.30 -3.62 2.94 4.77 -0.68 -4.97 117.00 114.16 3kqx n LEU 321 Ca -0.01 -0.91 -0.27 0.00 -0.03 0.00 0.00 56.01 54.80 3kqx n LEU 321 Cb 0.44 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.56 3kqx n LEU 321 CO 0.35 0.41 0.10 0.59 -1.33 0.00 0.00 177.39 177.51 3kqx n ASN 322 N 0.64 -5.20 -4.87 -1.43 3.02 0.19 -4.96 115.26 102.66 3kqx n ASN 322 Ca 0.10 -0.59 -0.31 0.00 -0.03 0.00 0.00 54.58 53.75 3kqx n ASN 322 Cb 0.45 -4.16 -0.03 0.00 -0.61 0.00 0.00 39.78 35.42 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 -7.07 3.79 0.49 3.41 1.43 -0.25 -5.01 118.68 115.47 3kqx s LEU 323 Ca 0.55 1.24 -0.20 0.00 -1.03 0.00 0.00 54.13 54.68 3kqx s LEU 323 Cb -0.27 -4.13 -0.08 0.00 0.03 0.00 0.00 46.19 41.74 3kqx s LEU 323 CO 0.68 -0.44 1.07 -1.61 0.23 0.00 0.00 176.35 176.28 3kqx s GLU 324 N -3.87 3.73 0.03 1.70 2.02 -0.61 -4.61 118.70 117.07 3kqx s GLU 324 Ca 0.53 1.45 -0.12 0.00 0.02 0.00 0.00 54.97 56.85 3kqx s GLU 324 Cb -0.10 -2.12 0.01 0.00 0.10 0.00 0.00 34.13 32.02 3kqx s GLU 324 CO 0.31 -0.51 0.25 1.52 0.02 0.00 0.00 175.26 176.85 3kqx s TYR 325 N -1.89 -0.05 -0.14 1.61 -0.85 -1.26 -0.80 117.35 113.97 3kqx s TYR 325 Ca 0.68 -0.06 -0.07 0.00 -0.52 0.00 0.00 57.07 57.10 3kqx s TYR 325 Cb -0.19 0.04 0.06 0.00 0.38 0.00 0.00 41.96 42.24 3kqx s TYR 325 CO 0.23 -0.43 0.31 0.21 -1.52 0.00 0.00 175.55 174.35 3kqx s LYS 326 N -2.16 0.27 -0.26 -3.49 2.20 -0.11 -5.01 119.74 111.17 3kqx s LYS 326 Ca -0.08 0.68 -0.05 0.00 -0.36 0.00 0.00 55.97 56.16 3kqx s LYS 326 Cb -0.03 -0.05 0.01 0.00 -1.51 0.00 0.00 37.83 36.25 3kqx s LYS 326 CO -0.01 -0.18 0.02 0.42 -0.36 0.00 0.00 175.35 175.23 3kqx s ILE 327 N 1.53 3.59 -0.20 5.43 -1.09 -1.26 -1.18 121.20 128.02 3kqx s ILE 327 Ca -0.08 -0.68 -0.21 0.00 -2.23 0.00 0.00 60.65 57.46 3kqx s ILE 327 Cb -0.10 -2.78 -0.02 0.00 -1.58 0.00 0.00 42.46 37.98 3kqx s ILE 327 CO -0.10 0.22 0.64 -0.76 -1.23 0.00 0.00 174.94 173.70 3kqx s LEU 328 N 1.46 4.14 0.00 2.97 1.02 -0.14 -4.88 118.68 123.25 3kqx s LEU 328 Ca 0.03 0.84 0.02 0.00 0.02 0.00 0.00 54.13 55.04 3kqx s LEU 328 Cb -0.16 -2.90 0.05 0.00 0.02 0.00 0.00 46.19 43.20 3kqx s LEU 328 CO -0.01 -0.29 0.38 0.61 0.02 0.00 0.00 176.35 177.07 3kqx n GLY 329 N 3.81 1.34 0.24 -3.19 0.00 -1.26 -0.25 105.19 105.88 3kqx n GLY 329 Ca -0.01 -2.08 -0.07 0.00 0.00 0.00 0.00 46.02 43.86 3kqx n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqx h VAL 330 N -0.22 1.20 -0.07 1.61 2.07 -1.97 0.16 116.25 119.04 3kqx h VAL 330 Ca -0.13 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 66.87 3kqx h VAL 330 Cb 0.52 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3kqx h VAL 330 CO 0.16 0.22 0.01 0.50 0.02 0.00 0.00 177.57 178.47 3kqx h LYS 331 N 0.76 0.04 -0.78 1.57 3.64 -1.96 0.10 116.57 119.93 3kqx h LYS 331 Ca 0.19 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 3kqx h LYS 331 Cb 0.09 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3kqx h LYS 331 CO -0.03 0.02 0.42 1.49 -2.27 0.00 0.00 179.45 179.09 3kqx h GLU 332 N 0.04 1.08 -0.53 1.90 4.81 -1.81 -1.96 114.58 118.11 3kqx h GLU 332 Ca 0.03 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.05 3kqx h GLU 332 Cb 0.03 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3kqx h GLU 332 CO -0.05 0.79 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.95 3kqx h LEU 333 N 1.09 0.89 -0.63 1.64 3.38 -0.11 -1.47 115.31 120.10 3kqx h LEU 333 Ca 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3kqx h LEU 333 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3kqx h LEU 333 CO -0.04 0.96 0.33 -0.33 0.09 0.00 0.00 178.44 179.45 3kqx h GLU 334 N 0.85 0.89 -0.34 1.13 5.08 -0.58 -1.64 114.58 119.96 3kqx h GLU 334 Ca 0.16 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3kqx h GLU 334 Cb 0.52 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3kqx h GLU 334 CO 0.03 0.68 -0.09 1.49 -1.00 0.00 0.00 179.01 180.12 3kqx h GLU 335 N 0.86 0.57 0.00 2.33 4.57 -0.87 0.35 114.58 122.39 3kqx h GLU 335 Ca 0.22 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3kqx h GLU 335 Cb 0.06 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3kqx h GLU 335 CO -0.03 0.66 0.00 1.28 -1.18 0.00 0.00 179.01 179.74 3kqx n LEU 336 N -4.21 0.00 -2.90 1.64 4.77 -0.60 -4.93 117.00 110.77 3kqx n LEU 336 Ca 0.01 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 3kqx n LEU 336 Cb 0.32 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.33 3kqx n LEU 336 CO 0.41 -0.01 0.12 0.29 -1.33 0.00 0.00 177.39 176.87 3kqx n LYS 337 N -1.12 -5.67 -1.90 3.23 5.02 0.11 -4.70 118.16 113.12 3kqx n LYS 337 Ca 0.18 0.74 -0.41 0.00 -2.02 0.00 0.00 58.31 56.80 3kqx n LYS 337 Cb 0.16 -5.38 -0.01 0.00 -0.02 0.00 0.00 35.03 29.78 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqx n MET 338 N -4.00 3.82 0.22 1.97 2.81 -0.86 -2.23 117.12 118.85 3kqx n MET 338 Ca -0.04 -3.06 0.15 0.00 -1.81 0.00 0.00 57.70 52.94 3kqx n MET 338 Cb 0.57 -2.87 0.48 0.00 -0.71 0.00 0.00 33.22 30.69 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 7.32 0.00 0.40 3.03 0.00 -1.77 -0.94 103.07 111.10 3kqx h GLY 339 Ca 0.63 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.95 3kqx h GLY 339 CO 1.66 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 178.18 3kqx h ALA 340 N 2.09 0.01 -0.32 3.60 0.00 -1.85 -2.82 119.26 119.97 3kqx h ALA 340 Ca 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3kqx h ALA 340 Cb 0.66 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3kqx h ALA 340 CO 0.00 -0.16 0.10 -0.92 0.00 0.00 0.00 179.25 178.27 3kqx h TYR 341 N -0.58 0.52 -0.85 0.00 3.20 -1.65 -3.15 116.97 114.46 3kqx h TYR 341 Ca -0.00 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.82 3kqx h TYR 341 Cb 0.65 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.72 3kqx h TYR 341 CO 0.14 0.53 0.55 -0.07 -1.64 0.00 0.00 178.16 177.67 3kqx h LEU 342 N 0.37 0.99 -0.75 2.82 3.38 -1.28 -2.86 115.31 117.98 3kqx h LEU 342 Ca 0.10 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3kqx h LEU 342 Cb 0.25 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3kqx h LEU 342 CO -0.00 0.73 0.31 0.28 0.09 0.00 0.00 178.44 179.84 3kqx h SER 343 N 1.16 1.02 -0.71 -0.43 0.02 -1.46 -2.39 113.55 110.76 3kqx h SER 343 Ca 0.31 -0.17 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3kqx h SER 343 Cb -0.12 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.12 3kqx h SER 343 CO -0.07 0.91 0.35 0.58 -1.14 0.00 0.00 176.83 177.47 3kqx h VAL 344 N 1.07 1.23 -0.01 2.27 2.07 -1.49 -2.65 116.25 118.74 3kqx h VAL 344 Ca 0.25 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3kqx h VAL 344 Cb 0.20 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3kqx h VAL 344 CO -0.02 0.28 -0.02 0.61 0.02 0.00 0.00 177.57 178.43 3kqx n GLY 345 N -1.08 -0.24 0.32 2.17 0.00 -0.94 -4.33 105.19 101.10 3kqx n GLY 345 Ca 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.73 3kqx n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqx h LYS 346 N 1.84 0.82 -0.05 1.61 1.57 -1.07 -2.16 116.57 119.12 3kqx h LYS 346 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kqx h LYS 346 Cb 0.42 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kqx h LYS 346 CO 0.00 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 179.83 3kqx n GLY 347 N -1.33 -0.73 3.90 3.86 0.00 -1.24 -4.55 105.19 105.10 3kqx n GLY 347 Ca 0.14 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 3kqx n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqx s SER 348 N -1.16 6.48 0.11 1.61 0.15 -0.81 -4.48 113.70 115.59 3kqx s SER 348 Ca 0.11 0.55 0.26 0.00 0.70 0.00 0.00 55.95 57.57 3kqx s SER 348 Cb 0.05 -2.07 0.99 0.00 -1.71 0.00 0.00 66.02 63.28 3kqx s SER 348 CO 0.08 0.07 1.82 1.15 1.20 0.00 0.00 173.24 177.56 3kqx n MET 349 N 0.12 0.13 -3.49 5.44 0.00 -1.26 -4.77 117.12 113.28 3kqx n MET 349 Ca -0.03 0.14 -0.37 0.00 0.00 0.00 0.00 57.70 57.44 3kqx n MET 349 Cb 0.52 -1.66 -0.08 0.00 0.00 0.00 0.00 33.22 32.00 3kqx n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqx s TYR 350 N -3.07 3.38 0.45 3.17 1.51 -1.26 -4.91 117.35 116.63 3kqx s TYR 350 Ca 0.11 0.52 -0.24 0.00 -1.01 0.00 0.00 57.07 56.45 3kqx s TYR 350 Cb 0.15 -2.42 -0.07 0.00 -0.11 0.00 0.00 41.96 39.50 3kqx s TYR 350 CO 0.53 0.06 1.28 -1.25 -1.11 0.00 0.00 175.55 175.07 3kqx s PRO 351 N 1.06 3.72 0.43 -1.71 0.04 -1.26 -4.81 135.00 132.47 3kqx s PRO 351 Ca 0.16 2.07 -0.24 0.00 0.04 0.00 0.00 61.00 63.03 3kqx s PRO 351 Cb -0.14 -2.55 -0.10 0.00 0.04 0.00 0.00 34.50 31.75 3kqx s PRO 351 CO 0.06 -0.67 1.09 0.09 0.04 0.00 0.00 177.00 177.61 3kqx n ASN 352 N -0.30 1.63 -3.72 6.66 4.13 -1.26 -4.53 115.26 117.87 3kqx n ASN 352 Ca 0.06 1.05 -0.18 0.00 1.68 0.00 0.00 54.58 57.19 3kqx n ASN 352 Cb 0.45 -1.40 -0.17 0.00 -1.54 0.00 0.00 39.78 37.12 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 -2.11 -0.06 -0.24 3.52 -0.14 -0.95 -4.17 119.74 115.59 3kqx s LYS 353 Ca 0.63 0.29 -0.10 0.00 -1.36 0.00 0.00 55.97 55.43 3kqx s LYS 353 Cb -0.54 -0.39 -0.05 0.00 -1.68 0.00 0.00 37.83 35.18 3kqx s LYS 353 CO 0.57 -0.25 0.13 0.12 -0.76 0.00 0.00 175.35 175.16 3kqx s PHE 354 N 1.65 3.25 -0.17 3.18 2.19 0.66 -2.14 117.98 126.61 3kqx s PHE 354 Ca -0.02 0.08 -0.15 0.00 0.33 0.00 0.00 56.93 57.17 3kqx s PHE 354 Cb -0.12 -2.25 -0.04 0.00 -1.31 0.00 0.00 43.02 39.29 3kqx s PHE 354 CO -0.03 -0.02 0.36 0.42 1.83 0.00 0.00 175.22 177.78 3kqx s ILE 355 N 1.14 5.25 -0.31 3.12 1.01 0.15 -0.97 121.20 130.59 3kqx s ILE 355 Ca 0.06 0.68 -0.02 0.00 0.00 0.00 0.00 60.65 61.37 3kqx s ILE 355 Cb -0.14 -3.70 0.10 0.00 0.01 0.00 0.00 42.46 38.73 3kqx s ILE 355 CO 0.05 0.33 0.12 -2.28 0.00 0.00 0.00 174.94 173.16 3kqx s HIS 356 N 0.81 1.05 -0.01 3.97 2.46 -0.33 -1.56 115.29 121.67 3kqx s HIS 356 Ca 0.19 -1.36 -0.00 0.00 0.47 0.00 0.00 55.06 54.36 3kqx s HIS 356 Cb -0.14 -1.32 -0.04 0.00 -0.13 0.00 0.00 32.58 30.95 3kqx s HIS 356 CO 0.07 -0.85 0.05 -0.51 -2.47 0.00 0.00 174.74 171.03 3kqx s LEU 357 N 1.78 3.77 -0.07 8.88 1.02 -0.20 -0.94 118.68 132.93 3kqx s LEU 357 Ca 0.10 0.11 0.01 0.00 0.02 0.00 0.00 54.13 54.37 3kqx s LEU 357 Cb -0.17 -2.16 0.02 0.00 0.02 0.00 0.00 46.19 43.90 3kqx s LEU 357 CO -0.29 0.29 -0.09 -0.89 0.02 0.00 0.00 176.35 175.39 3kqx s THR 358 N -1.14 0.95 -0.20 5.49 2.01 0.02 -0.29 115.64 122.48 3kqx s THR 358 Ca 0.21 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 3kqx s THR 358 Cb -0.12 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 3kqx s THR 358 CO 0.12 0.32 0.07 -0.47 -0.69 0.00 0.00 174.62 173.97 3kqx s TYR 359 N 0.91 3.22 -0.10 4.92 5.04 -0.17 -1.58 117.35 129.58 3kqx s TYR 359 Ca -0.10 -0.01 0.04 0.00 -2.44 0.00 0.00 57.07 54.55 3kqx s TYR 359 Cb -0.15 -2.13 -0.00 0.00 0.35 0.00 0.00 41.96 40.03 3kqx s TYR 359 CO 0.01 0.04 -0.23 -1.59 -1.34 0.00 0.00 175.55 172.43 3kqx s LYS 360 N 0.71 3.07 0.60 4.97 0.00 -1.26 -0.80 119.74 127.03 3kqx s LYS 360 Ca 0.04 -0.86 -0.18 0.00 0.00 0.00 0.00 55.97 54.96 3kqx s LYS 360 Cb -0.13 -2.33 -0.03 0.00 0.00 0.00 0.00 37.83 35.33 3kqx s LYS 360 CO 0.02 0.17 1.18 -1.12 0.00 0.00 0.00 175.35 175.60 3kqx s SER 361 N 0.36 5.24 0.33 0.03 0.01 -0.41 -4.97 113.70 114.30 3kqx s SER 361 Ca -0.18 2.31 0.16 0.00 1.31 0.00 0.00 55.95 59.55 3kqx s SER 361 Cb -0.18 -2.59 0.47 0.00 0.21 0.00 0.00 66.02 63.93 3kqx s SER 361 CO 0.08 -1.55 1.63 0.07 0.41 0.00 0.00 173.24 173.88 3kqx h LYS 362 N 0.82 0.00 0.00 12.44 -0.00 -1.91 -3.46 116.57 124.46 3kqx h LYS 362 Ca -0.50 0.00 -0.21 0.00 -0.00 0.00 0.00 60.65 59.94 3kqx h LYS 362 Cb 1.29 0.00 0.06 0.00 -0.00 0.00 0.00 32.23 33.58 3kqx h LYS 362 CO 0.55 0.47 0.13 0.41 -0.00 0.00 0.00 179.45 181.00 3kqx n GLY 363 N 0.51 -0.28 3.68 0.07 0.00 -1.26 -5.00 105.19 102.91 3kqx n GLY 363 Ca 0.00 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.72 3kqx n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kqx n ASP 364 N -3.18 3.28 -4.67 1.61 3.85 -1.26 -4.75 116.55 111.43 3kqx n ASP 364 Ca 0.08 1.07 -0.42 0.00 -0.71 0.00 0.00 54.79 54.81 3kqx n ASP 364 Cb 0.28 -1.45 -0.03 0.00 -1.35 0.00 0.00 41.12 38.57 3kqx n ASP 364 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3kqx s VAL 365 N 1.18 4.78 -0.83 2.12 1.01 -1.26 -4.24 120.40 123.15 3kqx s VAL 365 Ca 0.79 1.88 0.14 0.00 0.00 0.00 0.00 61.98 64.79 3kqx s VAL 365 Cb -0.65 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.38 3kqx s VAL 365 CO 0.38 -0.07 0.64 0.29 0.00 0.00 0.00 175.10 176.34 3kqx n LYS 366 N 5.68 2.28 -3.68 2.72 5.02 0.48 -4.96 118.16 125.69 3kqx n LYS 366 Ca 0.08 -0.20 -0.11 0.00 -2.02 0.00 0.00 58.31 56.06 3kqx n LYS 366 Cb 0.48 -1.17 -0.09 0.00 -0.02 0.00 0.00 35.03 34.22 3kqx n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kqx s LYS 367 N -2.15 0.53 -0.13 1.97 2.20 -1.04 -5.04 119.74 116.08 3kqx s LYS 367 Ca 0.07 0.86 0.00 0.00 -0.36 0.00 0.00 55.97 56.54 3kqx s LYS 367 Cb 0.11 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.53 3kqx s LYS 367 CO 0.51 -0.13 -0.14 0.15 -0.36 0.00 0.00 175.35 175.39 3kqx s LYS 368 N 1.06 3.37 -0.02 4.03 1.02 -1.26 -1.29 119.74 126.65 3kqx s LYS 368 Ca -0.06 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.27 3kqx s LYS 368 Cb -0.06 -2.62 -0.00 0.00 -0.52 0.00 0.00 37.83 34.63 3kqx s LYS 368 CO -0.10 0.21 -0.12 0.42 -0.92 0.00 0.00 175.35 174.85 3kqx s ILE 369 N 0.35 0.96 -0.17 2.17 1.01 -0.26 -0.11 121.20 125.16 3kqx s ILE 369 Ca -0.11 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 3kqx s ILE 369 Cb -0.16 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 3kqx s ILE 369 CO 0.06 0.28 -0.06 0.00 0.00 0.00 0.00 174.94 175.22 3kqx s ALA 370 N -0.07 2.86 -0.18 9.38 0.00 -0.31 -0.87 121.76 132.57 3kqx s ALA 370 Ca 0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 3kqx s ALA 370 Cb -0.07 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.52 3kqx s ALA 370 CO 0.00 0.06 -0.04 -0.51 0.00 0.00 0.00 175.76 175.27 3kqx s LEU 371 N 0.65 3.06 -0.15 0.00 1.43 0.74 -1.26 118.68 123.15 3kqx s LEU 371 Ca -0.03 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 3kqx s LEU 371 Cb -0.15 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3kqx s LEU 371 CO 0.02 0.09 -0.16 -0.69 0.23 0.00 0.00 176.35 175.84 3kqx s VAL 372 N 0.85 1.69 -0.01 -1.59 1.01 -0.21 -0.04 120.40 122.10 3kqx s VAL 372 Ca -0.01 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3kqx s VAL 372 Cb -0.15 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3kqx s VAL 372 CO 0.01 0.48 -0.20 -0.83 0.00 0.00 0.00 175.10 174.56 3kqx s GLY 373 N 1.31 1.44 0.14 4.51 0.00 -0.01 -0.27 107.32 114.43 3kqx s GLY 373 Ca 0.02 -1.09 -0.30 0.00 0.00 0.00 0.00 44.72 43.35 3kqx s GLY 373 CO -0.09 -0.91 1.14 1.25 0.00 0.00 0.00 173.10 174.49 3kqx s LYS 374 N -0.87 4.52 -0.49 2.90 2.20 -0.50 -4.09 119.74 123.42 3kqx s LYS 374 Ca 0.12 1.75 0.08 0.00 -0.36 0.00 0.00 55.97 57.55 3kqx s LYS 374 Cb -0.10 -3.30 0.36 0.00 -1.51 0.00 0.00 37.83 33.28 3kqx s LYS 374 CO 0.01 -0.06 0.91 0.41 -0.36 0.00 0.00 175.35 176.25 3kqx n GLY 375 N 2.47 4.87 3.54 5.54 0.00 -1.26 -1.11 105.19 119.25 3kqx n GLY 375 Ca 0.05 -2.40 -0.40 0.00 0.00 0.00 0.00 46.02 43.28 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 -3.95 5.29 -0.11 -0.61 -1.09 -0.56 -2.09 121.20 118.08 3kqx s ILE 376 Ca 0.45 -0.12 0.14 0.00 -2.23 0.00 0.00 60.65 58.88 3kqx s ILE 376 Cb 0.32 -3.67 0.02 0.00 -1.58 0.00 0.00 42.46 37.55 3kqx s ILE 376 CO -0.12 0.05 1.41 0.71 -1.23 0.00 0.00 174.94 175.76 3kqx h THR 377 N 5.46 1.00 -2.91 2.92 1.35 -1.48 -1.58 112.91 117.67 3kqx h THR 377 Ca -0.32 -2.41 -0.15 0.00 -0.55 0.00 0.00 66.41 62.98 3kqx h THR 377 Cb 1.17 2.49 -0.26 0.00 -1.73 0.00 0.00 68.15 69.81 3kqx h THR 377 CO 0.61 0.57 -0.36 0.12 -0.25 0.00 0.00 175.52 176.21 3kqx s PHE 378 N -2.92 -0.40 -0.45 4.73 5.36 -1.26 -4.34 117.98 118.71 3kqx s PHE 378 Ca 0.03 0.93 -0.01 0.00 -0.96 0.00 0.00 56.93 56.92 3kqx s PHE 378 Cb 0.08 0.13 0.12 0.00 -0.34 0.00 0.00 43.02 43.01 3kqx s PHE 378 CO 0.76 -0.22 0.23 0.34 -1.46 0.00 0.00 175.22 174.88 3kqx s ASP 379 N 0.63 5.11 0.24 6.13 2.15 -1.22 -1.53 116.67 128.18 3kqx s ASP 379 Ca -0.04 -2.29 0.26 0.00 0.43 0.00 0.00 52.55 50.91 3kqx s ASP 379 Cb -0.05 -1.79 0.85 0.00 -0.30 0.00 0.00 42.92 41.63 3kqx s ASP 379 CO -0.04 -0.46 1.76 0.77 -0.17 0.00 0.00 175.17 177.03 3kqx h SER 380 N 7.66 0.00 0.00 -0.34 4.64 -1.57 -3.46 113.55 120.48 3kqx h SER 380 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3kqx h SER 380 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3kqx h SER 380 CO 0.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 3kqx n GLY 381 N 0.93 3.37 7.00 -0.77 0.00 -1.26 -1.24 105.19 113.22 3kqx n GLY 381 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.56 0.14 0.25 -0.02 0.00 -1.26 -1.95 105.19 100.79 3kqx n GLY 382 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 46.02 45.18 3kqx n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqx h TYR 383 N 0.00 0.00 0.00 1.61 0.05 -1.83 -0.47 116.97 116.33 3kqx h TYR 383 Ca 0.00 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 3kqx h TYR 383 Cb 0.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.76 3kqx h TYR 383 CO 0.00 0.07 3.35 0.09 -1.05 0.00 0.00 178.16 180.62 3kqx n ASN 384 N -4.39 7.09 -4.61 3.88 4.13 -1.23 -4.98 115.26 115.15 3kqx n ASN 384 Ca -0.03 -2.49 -0.42 0.00 1.68 0.00 0.00 54.58 53.32 3kqx n ASN 384 Cb 0.15 -1.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.02 3kqx n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqx n LEU 385 N 3.95 2.43 -4.56 3.41 7.94 -0.19 -4.53 117.00 125.45 3kqx n LEU 385 Ca 0.65 1.09 -0.37 0.00 -1.11 0.00 0.00 56.01 56.27 3kqx n LEU 385 Cb 0.20 -1.34 -0.04 0.00 0.53 0.00 0.00 43.42 42.77 3kqx n LEU 385 CO 0.80 -1.40 1.42 -0.54 -1.11 0.00 0.00 177.39 176.56 3kqx s LYS 386 N -1.87 3.19 0.00 1.96 1.02 -0.38 -4.52 119.74 119.14 3kqx s LYS 386 Ca 0.61 -0.71 0.00 0.00 0.02 0.00 0.00 55.97 55.89 3kqx s LYS 386 Cb -0.59 -5.12 0.00 0.00 -0.52 0.00 0.00 37.83 31.60 3kqx s LYS 386 CO 0.58 -2.59 0.00 0.00 -0.92 0.00 0.00 175.35 172.43 3kqx n ALA 387 N 10.67 1.77 -1.79 5.17 0.00 -1.26 -4.67 120.51 130.40 3kqx n ALA 387 Ca 0.32 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.40 3kqx n ALA 387 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 3kqx n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqx s ALA 388 N -1.25 2.98 0.23 0.00 0.00 -1.26 -4.95 121.76 117.51 3kqx s ALA 388 Ca 0.00 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.35 3kqx s ALA 388 Cb 0.00 -3.28 -0.13 0.00 0.00 0.00 0.00 23.12 19.70 3kqx s ALA 388 CO 0.00 -0.33 1.47 -2.30 0.00 0.00 0.00 175.76 174.60 3kqx n PRO 389 N -0.48 2.13 -0.72 0.00 -0.02 -1.26 -1.39 135.00 133.27 3kqx n PRO 389 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3kqx n PRO 389 Cb 0.50 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 2.45 1.11 0.27 -1.23 0.00 -1.26 -4.92 105.19 101.60 3kqx n GLY 390 Ca 0.12 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.30 3kqx n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqx h SER 391 N 0.00 0.00 -5.84 1.61 4.64 -1.60 -3.48 113.55 108.88 3kqx h SER 391 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3kqx h SER 391 Cb 0.00 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.21 3kqx h SER 391 CO 0.00 0.04 -0.81 0.23 -0.87 0.00 0.00 176.83 175.42 3kqx n MET 392 N -3.15 -5.38 0.27 4.77 2.81 -1.26 -4.87 117.12 110.31 3kqx n MET 392 Ca 0.01 0.74 0.12 0.00 -1.81 0.00 0.00 57.70 56.75 3kqx n MET 392 Cb 0.33 -5.51 0.77 0.00 -0.71 0.00 0.00 33.22 28.10 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 -1.82 0.71 0.00 2.02 2.10 -1.93 -1.49 117.51 117.10 3kqx h ILE 393 Ca -0.60 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.15 3kqx h ILE 393 Cb 1.35 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 38.19 3kqx h ILE 393 CO 0.52 0.05 0.00 -0.90 -1.08 0.00 0.00 178.15 176.74 3kqx n ASP 394 N -4.02 0.64 -0.45 2.19 5.75 -1.26 -1.52 116.55 117.88 3kqx n ASP 394 Ca -0.03 0.66 0.13 0.00 -0.01 0.00 0.00 54.79 55.54 3kqx n ASP 394 Cb 0.14 -0.79 0.38 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 -2.21 1.55 0.00 -2.12 7.94 -0.56 -4.64 117.00 116.96 3kqx n LEU 395 Ca 0.02 -0.50 0.10 0.00 -1.11 0.00 0.00 56.01 54.53 3kqx n LEU 395 Cb 0.23 -0.04 0.49 0.00 0.53 0.00 0.00 43.42 44.63 3kqx n LEU 395 CO 0.20 0.27 0.84 0.23 -1.11 0.00 0.00 177.39 177.82 3kqx n MET 396 N 0.00 0.12 0.27 1.96 2.81 -0.58 -1.20 117.12 120.51 3kqx n MET 396 Ca 0.15 0.11 0.18 0.00 -1.81 0.00 0.00 57.70 56.34 3kqx n MET 396 Cb 0.39 -1.50 0.91 0.00 -0.71 0.00 0.00 33.22 32.31 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 -0.05 0.03 2.10 -1.82 -2.08 116.57 114.75 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 0.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.64 3kqx h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqx n PHE 398 N -3.32 0.06 1.83 0.07 -0.00 -0.34 -4.00 117.46 111.76 3kqx n PHE 398 Ca -0.00 -0.03 0.04 0.00 -0.00 0.00 0.00 57.45 57.45 3kqx n PHE 398 Cb 0.31 0.00 0.21 0.00 -0.00 0.00 0.00 39.48 39.99 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 -0.47 0.00 -0.99 5.98 2.03 -0.78 -1.43 116.55 120.88 3kqx n ASP 399 Ca 0.14 -1.61 0.08 0.00 0.52 0.00 0.00 54.79 53.92 3kqx n ASP 399 Cb 0.14 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.81 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 -0.62 3.15 0.15 -0.67 0.00 -0.59 -1.50 117.12 117.04 3kqx n MET 400 Ca 0.05 -2.80 0.06 0.00 0.00 0.00 0.00 57.70 55.00 3kqx n MET 400 Cb 0.02 -1.84 0.52 0.00 0.00 0.00 0.00 33.22 31.92 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 2.12 0.20 0.24 3.17 0.02 -1.41 -0.07 113.55 117.81 3kqx h SER 401 Ca 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3kqx h SER 401 Cb 1.43 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3kqx h SER 401 CO 0.23 0.19 -0.12 1.23 -1.14 0.00 0.00 176.83 177.23 3kqx h GLY 402 N 0.34 -0.34 0.50 -3.77 0.00 -1.76 -1.57 103.07 96.48 3kqx h GLY 402 Ca 0.06 0.12 0.09 0.00 0.00 0.00 0.00 47.33 47.60 3kqx h GLY 402 CO -0.01 -0.12 0.33 0.00 0.00 0.00 0.00 176.54 176.74 3kqx h ALA 404 N 1.41 0.49 -0.96 0.00 0.00 -0.89 -0.74 119.26 118.57 3kqx h ALA 404 Ca 0.33 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.34 3kqx h ALA 404 Cb 0.33 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3kqx h ALA 404 CO -0.26 -0.16 0.61 0.00 0.00 0.00 0.00 179.25 179.45 3kqx h ALA 405 N 1.21 1.52 -0.27 0.00 0.00 -1.05 0.53 119.26 121.20 3kqx h ALA 405 Ca 0.17 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 3kqx h ALA 405 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3kqx h ALA 405 CO -0.11 0.30 -0.43 0.28 0.00 0.00 0.00 179.25 179.28 3kqx h VAL 406 N 1.02 1.30 -0.21 0.00 2.07 -0.67 -0.64 116.25 119.12 3kqx h VAL 406 Ca 0.44 -1.62 -0.14 0.00 0.82 0.00 0.00 66.70 66.19 3kqx h VAL 406 Cb 0.33 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 3kqx h VAL 406 CO -0.19 0.52 -0.44 -0.07 0.02 0.00 0.00 177.57 177.41 3kqx h LEU 407 N 0.51 0.57 -0.71 2.57 3.38 -0.83 -0.82 115.31 119.98 3kqx h LEU 407 Ca 0.02 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3kqx h LEU 407 Cb 1.03 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3kqx h LEU 407 CO 0.10 0.93 0.32 1.23 0.09 0.00 0.00 178.44 181.11 3kqx h GLY 408 N 1.08 1.11 0.91 0.83 0.00 -0.86 -0.88 103.07 105.26 3kqx h GLY 408 Ca 0.03 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.81 3kqx h GLY 408 CO 0.08 0.54 0.51 0.00 0.00 0.00 0.00 176.54 177.68 3kqx h ALA 410 N 1.32 1.32 0.10 0.00 0.00 -0.51 0.97 119.26 122.45 3kqx h ALA 410 Ca 0.31 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kqx h ALA 410 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kqx h ALA 410 CO -0.10 0.53 -0.12 -0.92 0.00 0.00 0.00 179.25 178.64 3kqx h TYR 411 N 0.93 -0.32 -0.54 0.00 3.20 -0.83 0.24 116.97 119.66 3kqx h TYR 411 Ca 0.23 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 3kqx h TYR 411 Cb 0.10 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3kqx h TYR 411 CO 0.01 -0.19 0.12 0.00 -1.64 0.00 0.00 178.16 176.46 3kqx h VAL 413 N 0.76 1.22 -0.27 0.00 2.07 -0.76 0.31 116.25 119.58 3kqx h VAL 413 Ca 0.17 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.03 3kqx h VAL 413 Cb 0.35 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3kqx h VAL 413 CO 0.00 0.23 0.22 1.23 0.02 0.00 0.00 177.57 179.28 3kqx h GLY 414 N 0.18 0.00 0.34 2.17 0.00 -0.46 -0.49 103.07 104.81 3kqx h GLY 414 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.10 3kqx h GLY 414 CO 0.00 0.00 -1.63 -0.84 0.00 0.00 0.00 176.54 174.07 3kqx h THR 415 N 0.00 0.78 0.00 4.70 2.02 -1.05 -3.38 112.91 115.98 3kqx h THR 415 Ca 0.13 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 65.04 3kqx h THR 415 Cb 0.57 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3kqx h THR 415 CO -0.00 0.63 -0.08 -0.07 0.37 0.00 0.00 175.52 176.36 3kqx h LEU 416 N -0.43 0.00 -3.03 2.58 3.38 -0.77 -3.49 115.31 113.55 3kqx h LEU 416 Ca -0.38 -0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.26 3kqx h LEU 416 Cb 1.69 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.51 3kqx h LEU 416 CO -0.05 0.00 -0.75 0.29 0.09 0.00 0.00 178.44 178.03 3kqx n LYS 417 N -3.05 -1.40 -1.83 1.13 5.02 -0.21 -4.97 118.16 112.85 3kqx n LYS 417 Ca 0.04 0.78 -0.38 0.00 -2.02 0.00 0.00 58.31 56.73 3kqx n LYS 417 Cb 0.53 -4.39 0.03 0.00 -0.02 0.00 0.00 35.03 31.19 3kqx n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqx s PRO 418 N -4.97 3.24 0.39 1.97 0.04 -1.26 -5.02 135.00 129.40 3kqx s PRO 418 Ca 0.29 2.20 -0.04 0.00 0.04 0.00 0.00 61.00 63.49 3kqx s PRO 418 Cb -0.09 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3kqx s PRO 418 CO 0.83 -1.10 0.66 -1.21 0.04 0.00 0.00 177.00 176.22 3kqx s GLU 419 N -2.85 3.57 -0.74 4.56 2.02 -1.26 -4.56 118.70 119.43 3kqx s GLU 419 Ca 0.70 0.02 0.00 0.00 0.02 0.00 0.00 54.97 55.71 3kqx s GLU 419 Cb -0.39 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.31 3kqx s GLU 419 CO 0.47 0.02 0.00 0.09 0.02 0.00 0.00 175.26 175.86 3kqx n ASN 420 N -1.71 -4.23 -3.90 -0.19 5.03 -1.26 -4.99 115.26 104.01 3kqx n ASN 420 Ca -0.01 0.17 -0.11 0.00 0.87 0.00 0.00 54.58 55.50 3kqx n ASN 420 Cb 0.55 -2.34 -0.12 0.00 -1.02 0.00 0.00 39.78 36.85 3kqx n ASN 420 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kqx s VAL 421 N -2.13 0.05 -0.10 2.41 0.11 -1.26 -0.39 120.40 119.09 3kqx s VAL 421 Ca 0.00 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.64 3kqx s VAL 421 Cb 0.00 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.66 3kqx s VAL 421 CO 0.00 -0.24 -0.21 -0.70 -3.33 0.00 0.00 175.10 170.61 3kqx s GLU 422 N -0.75 2.77 -0.06 1.54 2.12 -0.41 -1.29 118.70 122.64 3kqx s GLU 422 Ca -0.08 -0.78 0.03 0.00 0.36 0.00 0.00 54.97 54.50 3kqx s GLU 422 Cb -0.05 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.18 3kqx s GLU 422 CO -0.00 0.10 -0.14 0.42 -0.54 0.00 0.00 175.26 175.10 3kqx s ILE 423 N 0.54 1.22 -0.15 -3.70 -1.09 0.02 -1.10 121.20 116.94 3kqx s ILE 423 Ca -0.15 -0.55 -0.03 0.00 -2.23 0.00 0.00 60.65 57.68 3kqx s ILE 423 Cb -0.17 -1.08 -0.03 0.00 -1.58 0.00 0.00 42.46 39.60 3kqx s ILE 423 CO 0.05 0.37 -0.03 -1.00 -1.23 0.00 0.00 174.94 173.10 3kqx s HIS 424 N 0.43 3.05 -0.25 3.97 3.76 -0.05 -1.00 115.29 125.20 3kqx s HIS 424 Ca -0.11 -0.21 -0.03 0.00 -0.15 0.00 0.00 55.06 54.56 3kqx s HIS 424 Cb -0.14 -1.94 0.01 0.00 1.11 0.00 0.00 32.58 31.63 3kqx s HIS 424 CO 0.03 0.04 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.88 3kqx s PHE 425 N 0.18 3.05 0.01 1.40 0.08 0.60 -0.19 117.98 123.12 3kqx s PHE 425 Ca -0.01 -1.28 0.06 0.00 0.12 0.00 0.00 56.93 55.82 3kqx s PHE 425 Cb -0.14 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.19 3kqx s PHE 425 CO 0.03 -0.65 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.80 3kqx s LEU 426 N 1.40 2.10 -0.20 -0.37 1.43 0.94 -1.03 118.68 122.96 3kqx s LEU 426 Ca 0.02 -0.42 -0.09 0.00 -1.03 0.00 0.00 54.13 52.62 3kqx s LEU 426 Cb -0.16 -0.92 0.08 0.00 0.03 0.00 0.00 46.19 45.23 3kqx s LEU 426 CO -0.03 0.18 0.45 -0.55 0.23 0.00 0.00 176.35 176.63 3kqx s SER 427 N -0.81 -0.45 -0.75 2.29 0.15 -0.60 -0.83 113.70 112.70 3kqx s SER 427 Ca 0.07 1.03 -0.24 0.00 0.70 0.00 0.00 55.95 57.50 3kqx s SER 427 Cb -0.08 1.22 0.05 0.00 -1.71 0.00 0.00 66.02 65.50 3kqx s SER 427 CO 0.00 -0.22 1.17 0.00 1.20 0.00 0.00 173.24 175.40 3kqx s ALA 428 N 2.15 2.91 -0.11 5.45 0.00 -1.26 -0.68 121.76 130.23 3kqx s ALA 428 Ca -0.05 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.01 3kqx s ALA 428 Cb -0.10 -4.13 -0.04 0.00 0.00 0.00 0.00 23.12 18.84 3kqx s ALA 428 CO -0.14 -3.12 0.49 0.08 0.00 0.00 0.00 175.76 173.07 3kqx s VAL 429 N 4.88 5.17 0.34 0.00 1.01 -0.91 -4.03 120.40 126.86 3kqx s VAL 429 Ca 0.31 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 3kqx s VAL 429 Cb -0.10 -3.83 0.06 0.00 0.00 0.00 0.00 36.38 32.51 3kqx s VAL 429 CO 0.09 0.33 0.85 0.00 0.00 0.00 0.00 175.10 176.38 3kqx s GLU 431 N -2.18 1.15 -0.47 0.00 2.12 -1.26 -1.33 118.70 116.73 3kqx s GLU 431 Ca 0.17 -0.39 -0.12 0.00 0.36 0.00 0.00 54.97 54.99 3kqx s GLU 431 Cb -0.05 -1.06 0.10 0.00 0.26 0.00 0.00 34.13 33.39 3kqx s GLU 431 CO 0.10 0.16 0.36 1.21 -0.54 0.00 0.00 175.26 176.56 3kqx s ASN 432 N 0.10 5.88 0.35 -1.70 2.47 -0.58 -4.41 114.94 117.04 3kqx s ASN 432 Ca -0.02 -1.64 0.03 0.00 0.42 0.00 0.00 52.86 51.65 3kqx s ASN 432 Cb -0.09 -2.08 -0.05 0.00 -1.45 0.00 0.00 41.25 37.58 3kqx s ASN 432 CO 0.01 -0.67 0.09 -0.04 -3.72 0.00 0.00 177.10 172.77 3kqx s MET 433 N 1.49 1.74 -0.16 0.43 -1.94 -1.26 -1.28 119.30 118.32 3kqx s MET 433 Ca 0.04 -2.01 -0.02 0.00 -1.71 0.00 0.00 55.69 51.99 3kqx s MET 433 Cb -0.26 -0.69 -0.02 0.00 2.01 0.00 0.00 34.83 35.87 3kqx s MET 433 CO 0.02 -0.32 -0.09 0.08 -0.01 0.00 0.00 175.02 174.70 3kqx s VAL 434 N -3.32 3.30 0.21 -6.03 1.01 -1.26 -4.53 120.40 109.79 3kqx s VAL 434 Ca 0.31 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 3kqx s VAL 434 Cb 0.06 -2.43 0.05 0.00 0.00 0.00 0.00 36.38 34.06 3kqx s VAL 434 CO 0.15 0.49 0.69 -0.55 0.00 0.00 0.00 175.10 175.88 3kqx s SER 435 N 0.65 -0.39 0.59 3.32 0.15 -1.26 -4.99 113.70 111.77 3kqx s SER 435 Ca -0.05 -0.31 0.34 0.00 0.70 0.00 0.00 55.95 56.62 3kqx s SER 435 Cb -0.15 0.64 1.86 0.00 -1.71 0.00 0.00 66.02 66.67 3kqx s SER 435 CO 0.03 -1.13 2.22 0.07 1.20 0.00 0.00 173.24 175.62 3kqx h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.98 -2.93 116.57 121.19 3kqx h LYS 436 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3kqx h LYS 436 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kqx h LYS 436 CO 0.30 0.03 -0.02 0.09 -2.00 0.00 0.00 179.45 177.85 3kqx n ASN 437 N -3.51 1.56 -4.78 7.07 3.02 -1.26 -4.99 115.26 112.37 3kqx n ASN 437 Ca -0.02 -1.49 -0.33 0.00 -0.03 0.00 0.00 54.58 52.71 3kqx n ASN 437 Cb 0.14 0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 3kqx n ASN 437 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kqx s SER 438 N -2.04 5.21 0.68 6.41 0.01 -1.11 -3.72 113.70 119.15 3kqx s SER 438 Ca 0.36 1.98 -0.13 0.00 1.31 0.00 0.00 55.95 59.47 3kqx s SER 438 Cb 0.21 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.90 3kqx s SER 438 CO 0.35 -1.56 1.08 -0.72 0.41 0.00 0.00 173.24 172.80 3kqx s TYR 439 N -2.35 2.81 0.19 2.43 -0.00 -1.26 -4.88 117.35 114.30 3kqx s TYR 439 Ca 0.67 1.51 0.10 0.00 -0.00 0.00 0.00 57.07 59.35 3kqx s TYR 439 Cb -0.20 -3.03 -0.04 0.00 -0.00 0.00 0.00 41.96 38.69 3kqx s TYR 439 CO 0.41 -1.47 -0.15 1.03 -0.00 0.00 0.00 175.55 175.37 3kqx s ARG 440 N -4.52 1.86 0.10 -3.49 0.52 -1.26 -4.67 118.95 107.49 3kqx s ARG 440 Ca 0.63 -1.39 -0.36 0.00 -0.52 0.00 0.00 55.73 54.09 3kqx s ARG 440 Cb -0.17 -2.03 -0.15 0.00 0.52 0.00 0.00 34.95 33.12 3kqx s ARG 440 CO 0.47 0.41 1.46 -2.30 0.02 0.00 0.00 175.30 175.37 3kqx n PRO 441 N 0.04 1.59 0.00 3.54 -0.02 -1.26 -1.68 135.00 137.21 3kqx n PRO 441 Ca -0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3kqx n PRO 441 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3kqx n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 442 N 2.98 3.14 3.62 -1.23 0.00 0.21 -5.02 105.19 108.88 3kqx n GLY 442 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 0.08 0.81 -4.33 1.61 9.92 -0.68 -4.46 116.55 119.49 3kqx n ASP 443 Ca 0.00 0.81 -0.33 0.00 -0.53 0.00 0.00 54.79 54.74 3kqx n ASP 443 Cb 0.00 -1.39 -0.15 0.00 -0.64 0.00 0.00 41.12 38.94 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 -1.51 2.88 0.13 0.53 1.01 -1.26 -1.09 121.20 121.90 3kqx s ILE 444 Ca 0.76 -0.72 0.05 0.00 0.00 0.00 0.00 60.65 60.74 3kqx s ILE 444 Cb -0.42 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3kqx s ILE 444 CO 0.47 0.52 -0.11 0.27 0.00 0.00 0.00 174.94 176.09 3kqx s ILE 445 N 0.46 1.17 -0.15 2.92 -4.36 -0.25 -4.93 121.20 116.06 3kqx s ILE 445 Ca -0.10 -1.88 0.02 0.00 -0.26 0.00 0.00 60.65 58.42 3kqx s ILE 445 Cb -0.16 -1.66 0.01 0.00 1.25 0.00 0.00 42.46 41.91 3kqx s ILE 445 CO 0.05 -0.62 -0.21 -0.89 0.24 0.00 0.00 174.94 173.51 3kqx s THR 446 N -2.81 2.06 0.67 8.37 2.01 -1.26 -0.40 115.64 124.28 3kqx s THR 446 Ca 0.12 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 61.05 3kqx s THR 446 Cb -0.01 -1.83 -0.01 0.00 0.01 0.00 0.00 72.50 70.66 3kqx s THR 446 CO 0.01 0.55 1.07 0.00 -0.69 0.00 0.00 174.62 175.56 3kqx s ALA 447 N 0.98 2.95 -0.66 7.40 0.00 -0.51 -2.41 121.76 129.50 3kqx s ALA 447 Ca -0.03 -0.21 0.16 0.00 0.00 0.00 0.00 51.96 51.88 3kqx s ALA 447 Cb -0.15 -3.06 0.73 0.00 0.00 0.00 0.00 23.12 20.65 3kqx s ALA 447 CO -0.06 -0.97 1.49 -1.13 0.00 0.00 0.00 175.76 175.09 3kqx n SER 448 N -2.92 0.33 -0.79 0.00 3.41 -0.95 -0.47 113.62 112.24 3kqx n SER 448 Ca 0.07 0.61 0.06 0.00 -0.26 0.00 0.00 58.87 59.35 3kqx n SER 448 Cb 0.56 -0.67 0.18 0.00 -0.26 0.00 0.00 64.21 64.02 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 -1.90 2.27 0.00 4.04 6.94 -1.26 -4.93 115.26 120.42 3kqx n ASN 449 Ca 0.01 -2.04 0.00 0.00 -0.02 0.00 0.00 54.58 52.54 3kqx n ASN 449 Cb 0.13 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.25 3kqx n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqx n GLY 450 N 1.09 1.76 3.70 4.83 0.00 0.38 -5.03 105.19 111.92 3kqx n GLY 450 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3kqx n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqx s LYS 451 N -0.35 4.33 0.16 1.61 1.02 -1.26 -4.77 119.74 120.48 3kqx s LYS 451 Ca 0.00 1.98 -0.25 0.00 0.02 0.00 0.00 55.97 57.72 3kqx s LYS 451 Cb 0.00 -3.39 -0.08 0.00 -0.52 0.00 0.00 37.83 33.84 3kqx s LYS 451 CO 0.00 -0.46 0.77 0.95 -0.92 0.00 0.00 175.35 175.69 3kqx s THR 452 N 1.59 4.37 -0.10 2.17 -4.23 -1.26 -1.43 115.64 116.75 3kqx s THR 452 Ca 0.63 1.69 0.01 0.00 -1.18 0.00 0.00 61.69 62.85 3kqx s THR 452 Cb -0.33 -4.13 0.02 0.00 1.34 0.00 0.00 72.50 69.39 3kqx s THR 452 CO 0.29 0.53 -0.13 -0.63 -0.54 0.00 0.00 174.62 174.13 3kqx s ILE 453 N -1.15 1.33 -0.29 2.99 1.01 0.46 -1.91 121.20 123.65 3kqx s ILE 453 Ca 0.36 -0.54 -0.25 0.00 0.00 0.00 0.00 60.65 60.22 3kqx s ILE 453 Cb -0.23 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3kqx s ILE 453 CO 0.26 0.41 0.87 -0.70 0.00 0.00 0.00 174.94 175.78 3kqx s GLU 454 N 1.07 4.06 -0.27 2.79 2.12 -0.38 -1.09 118.70 127.00 3kqx s GLU 454 Ca -0.06 0.83 -0.29 0.00 0.36 0.00 0.00 54.97 55.81 3kqx s GLU 454 Cb -0.15 -3.70 -0.00 0.00 0.26 0.00 0.00 34.13 30.54 3kqx s GLU 454 CO -0.02 -0.68 1.32 0.08 -0.54 0.00 0.00 175.26 175.43 3kqx s VAL 455 N 3.08 4.12 -0.13 3.70 1.01 -0.25 -1.38 120.40 130.55 3kqx s VAL 455 Ca 0.36 1.28 0.19 0.00 0.00 0.00 0.00 61.98 63.81 3kqx s VAL 455 Cb -0.14 -4.09 -0.21 0.00 0.00 0.00 0.00 36.38 31.94 3kqx s VAL 455 CO 0.11 -0.41 0.57 0.61 0.00 0.00 0.00 175.10 175.98 3kqx n GLY 456 N 4.24 -1.12 3.44 4.51 0.00 -1.26 0.65 105.19 115.65 3kqx n GLY 456 Ca 0.15 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.35 -0.67 0.17 1.61 3.84 -1.26 -4.71 114.94 108.58 3kqx s ASN 457 Ca -0.06 1.22 0.24 0.00 0.21 0.00 0.00 52.86 54.47 3kqx s ASN 457 Cb 0.09 1.51 0.90 0.00 -0.55 0.00 0.00 41.25 43.21 3kqx s ASN 457 CO 0.84 -0.22 1.72 0.35 -2.79 0.00 0.00 177.10 177.00 3kqx n THR 458 N 5.01 0.69 1.55 -5.21 -2.24 -1.26 -1.53 114.28 111.29 3kqx n THR 458 Ca -0.14 0.05 0.15 0.00 -2.27 0.00 0.00 64.05 61.84 3kqx n THR 458 Cb 0.52 -0.89 0.74 0.00 -2.10 0.00 0.00 70.33 68.61 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 -2.04 0.22 -3.17 3.42 2.03 -0.82 -3.59 116.55 112.58 3kqx n ASP 459 Ca 0.04 -0.53 -0.40 0.00 0.52 0.00 0.00 54.79 54.42 3kqx n ASP 459 Cb 0.29 -0.14 0.03 0.00 -0.72 0.00 0.00 41.12 40.59 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 -1.06 6.33 0.13 -1.67 0.00 -0.58 -4.72 120.51 118.95 3kqx n ALA 460 Ca 0.17 -4.30 0.06 0.00 0.00 0.00 0.00 53.44 49.37 3kqx n ALA 460 Cb 0.23 -2.03 0.04 0.00 0.00 0.00 0.00 19.45 17.68 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 3.43 0.00 -0.31 0.00 9.09 -1.80 -3.36 114.58 121.63 3kqx h GLU 461 Ca 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.95 3kqx h GLU 461 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 3kqx h GLU 461 CO 1.33 0.22 0.16 0.78 0.05 0.00 0.00 179.01 181.55 3kqx h GLY 462 N 3.78 0.48 2.00 1.06 0.00 -1.92 -2.35 103.07 106.12 3kqx h GLY 462 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3kqx h GLY 462 CO 0.03 0.22 -0.09 0.07 0.00 0.00 0.00 176.54 176.77 3kqx h ARG 463 N 0.38 0.00 -0.30 4.80 0.11 -1.94 -0.37 114.38 117.06 3kqx h ARG 463 Ca 0.11 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.07 3kqx h ARG 463 Cb 0.09 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 3kqx h ARG 463 CO -0.02 0.09 -0.27 -0.07 0.10 0.00 0.00 179.97 179.81 3kqx h LEU 464 N 0.00 0.75 -0.27 0.08 3.38 -1.58 -1.47 115.31 116.20 3kqx h LEU 464 Ca -0.00 -0.46 -0.17 0.00 0.09 0.00 0.00 57.88 57.34 3kqx h LEU 464 Cb 0.18 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kqx h LEU 464 CO 0.01 1.06 -0.50 0.71 0.09 0.00 0.00 178.44 179.80 3kqx h THR 465 N 0.46 1.29 -0.73 0.22 1.35 -1.10 -2.87 112.91 111.52 3kqx h THR 465 Ca 0.05 -1.70 0.01 0.00 -0.55 0.00 0.00 66.41 64.22 3kqx h THR 465 Cb 0.83 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 68.91 3kqx h THR 465 CO 0.07 0.55 0.49 -0.07 -0.25 0.00 0.00 175.52 176.30 3kqx h LEU 466 N 0.57 0.83 -0.16 3.87 3.38 -1.11 -2.40 115.31 120.30 3kqx h LEU 466 Ca 0.01 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3kqx h LEU 466 Cb 1.11 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3kqx h LEU 466 CO 0.11 0.60 0.09 0.00 0.09 0.00 0.00 178.44 179.33 3kqx h ALA 467 N 1.55 0.20 -0.23 1.53 0.00 -1.04 0.21 119.26 121.48 3kqx h ALA 467 Ca 0.27 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3kqx h ALA 467 Cb -0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kqx h ALA 467 CO -0.06 -0.34 -0.18 -0.44 0.00 0.00 0.00 179.25 178.23 3kqx h ASP 468 N 0.19 0.38 -0.22 0.00 3.32 -1.44 -2.26 116.42 116.40 3kqx h ASP 468 Ca 0.06 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.89 3kqx h ASP 468 Cb -0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3kqx h ASP 468 CO -0.03 0.59 -0.28 0.00 -1.72 0.00 0.00 179.24 177.80 3kqx h ALA 469 N 1.45 0.87 -0.53 3.45 0.00 -0.92 -2.06 119.26 121.52 3kqx h ALA 469 Ca 0.06 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3kqx h ALA 469 Cb 0.53 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3kqx h ALA 469 CO 0.03 0.63 0.17 -0.07 0.00 0.00 0.00 179.25 180.02 3kqx h LEU 470 N 0.61 0.77 -0.49 0.00 3.38 -0.45 0.14 115.31 119.27 3kqx h LEU 470 Ca 0.08 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3kqx h LEU 470 Cb 0.78 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 3kqx h LEU 470 CO 0.06 0.77 0.30 0.58 0.09 0.00 0.00 178.44 180.24 3kqx h VAL 471 N 0.73 1.06 -0.41 1.22 2.07 -1.35 -0.87 116.25 118.71 3kqx h VAL 471 Ca 0.17 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.46 3kqx h VAL 471 Cb 0.27 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3kqx h VAL 471 CO -0.01 0.11 0.15 0.22 0.02 0.00 0.00 177.57 178.06 3kqx h TYR 472 N 0.60 0.64 -0.63 1.57 3.20 -1.08 -1.96 116.97 119.31 3kqx h TYR 472 Ca 0.19 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.03 3kqx h TYR 472 Cb 0.00 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.04 3kqx h TYR 472 CO -0.06 0.58 0.39 0.00 -1.64 0.00 0.00 178.16 177.42 3kqx h ALA 473 N 0.99 0.81 -0.30 1.82 0.00 -0.51 -2.44 119.26 119.63 3kqx h ALA 473 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kqx h ALA 473 Cb 0.22 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3kqx h ALA 473 CO -0.01 0.14 -0.17 1.49 0.00 0.00 0.00 179.25 180.70 3kqx h GLU 474 N 0.76 0.53 0.00 0.00 4.81 -0.93 -1.71 114.58 118.04 3kqx h GLU 474 Ca 0.25 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kqx h GLU 474 Cb 0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3kqx h GLU 474 CO -0.10 0.68 0.00 0.87 -0.73 0.00 0.00 179.01 179.73 3kqx h LYS 475 N 0.48 0.00 0.00 1.92 1.57 -0.88 -2.02 116.57 117.64 3kqx h LYS 475 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kqx h LYS 475 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kqx h LYS 475 CO 0.04 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.85 3kqx h LEU 476 N 0.00 0.00 -2.50 2.94 3.38 -1.09 -3.48 115.31 114.56 3kqx h LEU 476 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3kqx h LEU 476 Cb 0.27 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.10 3kqx h LEU 476 CO 0.00 0.00 -0.34 0.61 0.09 0.00 0.00 178.44 178.80 3kqx n GLY 477 N 0.29 0.07 3.92 0.83 0.00 -0.76 -5.05 105.19 104.49 3kqx n GLY 477 Ca 0.02 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3kqx n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqx s VAL 478 N -3.16 4.30 0.08 1.61 -7.23 -1.26 -4.95 120.40 109.80 3kqx s VAL 478 Ca 0.13 -1.16 -0.14 0.00 -1.81 0.00 0.00 61.98 59.01 3kqx s VAL 478 Cb -0.02 -3.47 -0.19 0.00 0.56 0.00 0.00 36.38 33.26 3kqx s VAL 478 CO 0.30 -0.24 1.24 0.44 -0.31 0.00 0.00 175.10 176.54 3kqx h ASP 479 N 1.15 0.91 -4.44 4.85 3.32 -0.90 -3.47 116.42 117.83 3kqx h ASP 479 Ca -0.48 -0.68 -0.30 0.00 0.02 0.00 0.00 57.03 55.59 3kqx h ASP 479 Cb 1.25 -0.27 -0.24 0.00 0.22 0.00 0.00 39.33 40.28 3kqx h ASP 479 CO 0.57 1.46 -0.74 -0.31 -1.72 0.00 0.00 179.24 178.50 3kqx s TYR 480 N -3.54 0.61 -0.15 4.55 2.02 -1.15 -3.92 117.35 115.78 3kqx s TYR 480 Ca -0.10 -0.35 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 3kqx s TYR 480 Cb 0.07 -0.38 0.02 0.00 -0.40 0.00 0.00 41.96 41.27 3kqx s TYR 480 CO 0.91 -0.05 -0.19 0.42 -1.57 0.00 0.00 175.55 175.06 3kqx s ILE 481 N -0.91 1.89 -0.12 2.71 1.01 -0.33 -1.17 121.20 124.28 3kqx s ILE 481 Ca -0.05 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.76 3kqx s ILE 481 Cb -0.07 -1.70 0.01 0.00 0.01 0.00 0.00 42.46 40.71 3kqx s ILE 481 CO 0.00 0.52 -0.19 -0.69 0.00 0.00 0.00 174.94 174.58 3kqx s VAL 482 N 1.06 1.78 0.14 2.92 1.01 -0.39 -1.51 120.40 125.41 3kqx s VAL 482 Ca -0.02 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3kqx s VAL 482 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3kqx s VAL 482 CO -0.06 0.50 0.05 1.51 0.00 0.00 0.00 175.10 177.09 3kqx s ASP 483 N 0.85 5.13 -0.02 3.32 1.47 -0.14 -1.04 116.67 126.24 3kqx s ASP 483 Ca -0.08 -0.23 0.01 0.00 1.18 0.00 0.00 52.55 53.44 3kqx s ASP 483 Cb -0.15 -1.23 0.01 0.00 -0.34 0.00 0.00 42.92 41.20 3kqx s ASP 483 CO -0.01 0.11 -0.04 -0.51 0.68 0.00 0.00 175.17 175.40 3kqx s ILE 484 N -1.60 0.43 -0.15 2.11 2.07 0.62 -0.10 121.20 124.58 3kqx s ILE 484 Ca 0.28 -0.15 -0.26 0.00 -1.41 0.00 0.00 60.65 59.12 3kqx s ILE 484 Cb -0.10 -0.42 0.06 0.00 0.13 0.00 0.00 42.46 42.13 3kqx s ILE 484 CO 0.20 0.16 0.65 0.00 -1.91 0.00 0.00 174.94 174.04 3kqx s ALA 485 N 0.41 -1.64 -1.32 1.50 0.00 -0.32 -1.41 121.76 118.99 3kqx s ALA 485 Ca -0.05 1.55 -0.11 0.00 0.00 0.00 0.00 51.96 53.35 3kqx s ALA 485 Cb -0.08 -0.58 0.13 0.00 0.00 0.00 0.00 23.12 22.59 3kqx s ALA 485 CO -0.00 -0.33 1.92 0.25 0.00 0.00 0.00 175.76 177.59 3kqx n THR 486 N 1.90 4.09 -0.07 0.00 -2.24 -1.26 -0.07 114.28 116.64 3kqx n THR 486 Ca -0.16 -4.07 -0.21 0.00 -2.27 0.00 0.00 64.05 57.34 3kqx n THR 486 Cb 0.56 -2.43 -0.12 0.00 -2.10 0.00 0.00 70.33 66.24 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 8.81 0.11 -7.86 3.22 5.85 -1.92 -3.44 115.31 120.09 3kqx h LEU 487 Ca 0.43 -0.65 -0.44 0.00 0.84 0.00 0.00 57.88 58.06 3kqx h LEU 487 Cb 0.67 -0.04 -0.33 0.00 0.37 0.00 0.00 40.66 41.33 3kqx h LEU 487 CO 1.65 1.52 -0.79 0.42 -0.34 0.00 0.00 178.44 180.91 3kqx s THR 488 N -2.39 0.75 0.59 1.05 -4.23 -1.26 -4.93 115.64 105.21 3kqx s THR 488 Ca -0.26 -0.27 0.30 0.00 -1.18 0.00 0.00 61.69 60.28 3kqx s THR 488 Cb 0.05 -0.72 0.36 0.00 1.34 0.00 0.00 72.50 73.53 3kqx s THR 488 CO 0.65 0.26 2.21 1.23 -0.54 0.00 0.00 174.62 178.42 3kqx h GLY 489 N 6.94 0.00 1.73 3.99 0.00 -1.94 -2.62 103.07 111.18 3kqx h GLY 489 Ca -0.35 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.99 3kqx h GLY 489 CO 0.48 0.00 0.12 0.00 0.00 0.00 0.00 176.54 177.13 3kqx h ALA 490 N 1.92 1.41 -0.93 3.60 0.00 -1.96 -2.09 119.26 121.21 3kqx h ALA 490 Ca 0.03 -0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.11 3kqx h ALA 490 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.88 3kqx h ALA 490 CO -0.00 -0.15 0.60 0.52 0.00 0.00 0.00 179.25 180.22 3kqx h MET 491 N 0.00 0.60 0.00 0.00 2.86 -1.87 0.11 114.93 116.63 3kqx h MET 491 Ca 0.03 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kqx h MET 491 Cb 0.26 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 3kqx h MET 491 CO -0.00 0.40 -0.01 -0.07 1.06 0.00 0.00 176.91 178.29 3kqx h LEU 492 N 0.62 0.00 0.00 1.22 3.38 -1.61 -1.37 115.31 117.55 3kqx h LEU 492 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 3kqx h LEU 492 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3kqx h LEU 492 CO -0.24 0.01 -0.84 1.88 0.09 0.00 0.00 178.44 179.34 3kqx h TYR 493 N 0.00 0.00 0.00 1.13 -1.99 -0.97 -3.21 116.97 111.93 3kqx h TYR 493 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kqx h TYR 493 Cb 0.02 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.75 3kqx h TYR 493 CO 0.00 0.00 -0.47 -1.13 -0.00 0.00 0.00 178.16 176.56 3kqx n SER 494 N -2.49 1.03 -0.01 3.88 3.41 -0.76 -4.83 113.62 113.86 3kqx n SER 494 Ca 0.01 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.94 3kqx n SER 494 Cb 0.51 -0.65 -0.10 0.00 -0.26 0.00 0.00 64.21 63.71 3kqx n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 495 N -3.56 0.05 0.00 1.04 4.77 -0.61 -5.10 117.00 113.59 3kqx n LEU 495 Ca -0.07 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3kqx n LEU 495 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3kqx n LEU 495 CO 0.10 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3kqx n GLY 496 N 1.72 -0.21 0.14 -0.72 0.00 -0.65 -4.25 105.19 101.22 3kqx n GLY 496 Ca -0.02 -1.34 0.11 0.00 0.00 0.00 0.00 46.02 44.77 3kqx n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqx n THR 497 N 0.00 0.00 -0.12 2.61 -2.24 -1.26 -4.22 114.28 109.05 3kqx n THR 497 Ca 0.00 -0.07 -0.24 0.00 -2.27 0.00 0.00 64.05 61.46 3kqx n THR 497 Cb 0.00 0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 3kqx n THR 497 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kqx n SER 498 N -1.07 1.92 -4.54 3.42 2.88 -1.26 -4.28 113.62 110.70 3kqx n SER 498 Ca 0.07 0.37 -0.34 0.00 -1.33 0.00 0.00 58.87 57.64 3kqx n SER 498 Cb 0.36 -0.85 -0.12 0.00 -0.75 0.00 0.00 64.21 62.85 3kqx n SER 498 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kqx s TYR 499 N -2.50 2.87 0.47 0.66 1.51 -1.26 -4.64 117.35 114.45 3kqx s TYR 499 Ca -0.34 -0.06 -0.10 0.00 -1.01 0.00 0.00 57.07 55.56 3kqx s TYR 499 Cb 0.11 -1.70 -0.06 0.00 -0.11 0.00 0.00 41.96 40.21 3kqx s TYR 499 CO 0.50 0.26 0.84 0.00 -1.11 0.00 0.00 175.55 176.04 3kqx s ALA 500 N -0.72 3.29 -0.14 3.71 0.00 -0.73 -4.61 121.76 122.56 3kqx s ALA 500 Ca 0.11 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 51.77 3kqx s ALA 500 Cb -0.11 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3kqx s ALA 500 CO 0.01 -0.22 0.17 0.20 0.00 0.00 0.00 175.76 175.92 3kqx s GLY 501 N -3.53 2.15 -0.09 0.00 0.00 -1.14 -0.08 107.32 104.63 3kqx s GLY 501 Ca 0.52 -0.61 0.02 0.00 0.00 0.00 0.00 44.72 44.65 3kqx s GLY 501 CO 0.38 -0.10 -0.15 0.54 0.00 0.00 0.00 173.10 173.77 3kqx s VAL 502 N -0.45 2.92 0.28 1.40 0.11 0.11 -1.15 120.40 123.61 3kqx s VAL 502 Ca 0.13 -0.74 0.07 0.00 -2.93 0.00 0.00 61.98 58.51 3kqx s VAL 502 Cb -0.12 -2.18 -0.06 0.00 -1.53 0.00 0.00 36.38 32.49 3kqx s VAL 502 CO 0.03 0.56 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.93 3kqx s PHE 503 N -0.12 1.95 0.00 1.54 0.08 -0.64 -0.17 117.98 120.63 3kqx s PHE 503 Ca -0.02 -0.69 0.00 0.00 0.12 0.00 0.00 56.93 56.34 3kqx s PHE 503 Cb -0.14 -1.11 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 3kqx s PHE 503 CO 0.04 0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.85 3kqx n GLY 504 N -0.58 -1.02 0.29 4.36 0.00 -1.26 -0.94 105.19 106.04 3kqx n GLY 504 Ca -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.94 3kqx n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kqx n ASN 505 N 0.00 2.11 -3.62 1.61 0.23 -0.64 -4.82 115.26 110.13 3kqx n ASN 505 Ca 0.00 -1.72 -0.13 0.00 -0.53 0.00 0.00 54.58 52.20 3kqx n ASN 505 Cb 0.00 -0.08 -0.12 0.00 -2.08 0.00 0.00 39.78 37.50 3kqx n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqx s ASN 506 N -0.81 0.36 0.16 0.53 2.47 -1.26 -4.87 114.94 111.52 3kqx s ASN 506 Ca 0.10 0.54 -0.09 0.00 0.42 0.00 0.00 52.86 53.83 3kqx s ASN 506 Cb 0.06 0.79 0.01 0.00 -1.45 0.00 0.00 41.25 40.66 3kqx s ASN 506 CO 0.08 -0.25 1.52 -0.08 -3.72 0.00 0.00 177.10 174.65 3kqx h GLU 507 N 8.27 0.92 -0.20 0.43 4.81 -1.96 -1.89 114.58 124.97 3kqx h GLU 507 Ca -0.15 -0.44 0.04 0.00 -0.13 0.00 0.00 59.36 58.68 3kqx h GLU 507 Cb 1.12 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3kqx h GLU 507 CO 0.16 1.10 -0.05 1.49 -0.73 0.00 0.00 179.01 180.97 3kqx h GLU 508 N 0.77 -0.01 -0.25 1.92 4.81 -1.99 0.10 114.58 119.94 3kqx h GLU 508 Ca 0.08 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3kqx h GLU 508 Cb 0.89 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3kqx h GLU 508 CO 0.08 -0.00 0.07 1.25 -0.73 0.00 0.00 179.01 179.67 3kqx h LEU 509 N -0.01 0.05 -0.70 1.64 5.85 -1.92 -2.25 115.31 117.97 3kqx h LEU 509 Ca 0.10 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.96 3kqx h LEU 509 Cb 0.15 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.13 3kqx h LEU 509 CO -0.21 0.06 0.30 0.40 -0.34 0.00 0.00 178.44 178.66 3kqx h ILE 510 N 0.17 0.75 -0.90 4.05 2.04 -1.08 -0.82 117.51 121.73 3kqx h ILE 510 Ca 0.11 -0.17 0.02 0.00 1.00 0.00 0.00 64.86 65.82 3kqx h ILE 510 Cb 0.10 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 3kqx h ILE 510 CO -0.13 0.09 0.59 0.78 0.00 0.00 0.00 178.15 179.48 3kqx h ASN 511 N 0.49 1.00 -0.78 1.72 2.35 -0.73 -0.25 115.58 119.39 3kqx h ASN 511 Ca 0.37 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 3kqx h ASN 511 Cb 0.47 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 3kqx h ASN 511 CO -0.33 0.71 0.44 0.11 -1.65 0.00 0.00 177.43 176.71 3kqx h LYS 512 N 1.18 1.08 -0.31 0.81 1.57 -0.75 0.27 116.57 120.42 3kqx h LYS 512 Ca 0.34 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.91 3kqx h LYS 512 Cb -0.08 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 3kqx h LYS 512 CO -0.09 0.78 -0.19 0.82 -0.57 0.00 0.00 179.45 180.20 3kqx h ILE 513 N 1.09 1.29 -0.95 1.86 1.08 -0.51 -0.26 117.51 121.12 3kqx h ILE 513 Ca 0.28 -1.31 0.03 0.00 -0.39 0.00 0.00 64.86 63.46 3kqx h ILE 513 Cb 0.01 1.47 -0.05 0.00 -3.07 0.00 0.00 36.82 35.17 3kqx h ILE 513 CO -0.05 0.42 0.62 -0.07 -0.69 0.00 0.00 178.15 178.38 3kqx h LEU 514 N 0.43 1.04 -0.36 1.44 3.38 -0.62 0.41 115.31 121.03 3kqx h LEU 514 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3kqx h LEU 514 Cb 0.73 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3kqx h LEU 514 CO 0.05 0.73 0.21 -0.61 0.09 0.00 0.00 178.44 178.91 3kqx h GLN 515 N 1.22 0.50 -0.26 1.13 5.75 -0.25 -1.43 115.11 121.76 3kqx h GLN 515 Ca 0.37 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.80 3kqx h GLN 515 Cb -0.04 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 3kqx h GLN 515 CO -0.11 0.39 0.10 0.77 -2.65 0.00 0.00 178.83 177.33 3kqx h SER 516 N 0.47 0.32 0.02 -0.69 0.02 -0.68 -2.35 113.55 110.65 3kqx h SER 516 Ca 0.13 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kqx h SER 516 Cb 0.03 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.49 3kqx h SER 516 CO -0.02 0.30 -0.01 -1.28 -1.14 0.00 0.00 176.83 174.68 3kqx h SER 517 N 0.37 -0.02 -0.38 3.07 0.87 -0.56 -0.85 113.55 116.04 3kqx h SER 517 Ca 0.09 -0.07 0.07 0.00 -1.23 0.00 0.00 61.79 60.65 3kqx h SER 517 Cb 0.09 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.98 3kqx h SER 517 CO -0.01 0.06 -0.04 0.11 -0.53 0.00 0.00 176.83 176.43 3kqx h LYS 518 N -0.10 0.06 0.00 2.24 1.57 -0.93 -1.11 116.57 118.30 3kqx h LYS 518 Ca -0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3kqx h LYS 518 Cb 0.09 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kqx h LYS 518 CO 0.00 0.04 -0.35 1.79 -0.57 0.00 0.00 179.45 180.36 3kqx h THR 519 N 0.06 0.00 0.00 -0.16 1.35 -1.37 -3.04 112.91 109.74 3kqx h THR 519 Ca 0.19 -0.95 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 3kqx h THR 519 Cb 0.28 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3kqx h THR 519 CO -0.35 0.00 -0.69 0.77 -0.25 0.00 0.00 175.52 175.00 3kqx h SER 520 N 0.00 0.00 -3.23 5.36 4.64 -1.10 -3.47 113.55 115.76 3kqx h SER 520 Ca 0.00 -0.22 -0.37 0.00 -0.47 0.00 0.00 61.79 60.73 3kqx h SER 520 Cb 0.97 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.05 3kqx h SER 520 CO 0.00 0.11 -0.47 0.59 -0.87 0.00 0.00 176.83 176.19 3kqx n ASN 521 N -2.12 -5.36 -4.20 4.97 3.02 -0.43 -4.85 115.26 106.28 3kqx n ASN 521 Ca 0.03 0.04 -0.38 0.00 -0.03 0.00 0.00 54.58 54.25 3kqx n ASN 521 Cb 0.44 -4.49 -0.11 0.00 -0.61 0.00 0.00 39.78 35.02 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 -5.04 2.38 0.14 3.52 2.02 -1.17 -4.97 118.70 115.59 3kqx s GLU 522 Ca 0.00 -1.51 -0.30 0.00 0.02 0.00 0.00 54.97 53.18 3kqx s GLU 522 Cb 0.00 -3.58 -0.07 0.00 0.10 0.00 0.00 34.13 30.58 3kqx s GLU 522 CO 0.00 -0.90 1.12 -1.25 0.02 0.00 0.00 175.26 174.25 3kqx s PRO 523 N 1.30 4.55 0.04 0.39 0.04 -1.26 -4.53 135.00 135.53 3kqx s PRO 523 Ca 0.03 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.80 3kqx s PRO 523 Cb -0.22 -3.31 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 3kqx s PRO 523 CO -0.00 -0.02 -0.08 0.08 0.04 0.00 0.00 177.00 177.02 3kqx s VAL 524 N 0.18 0.53 -0.02 -0.36 1.01 -1.26 -1.78 120.40 118.70 3kqx s VAL 524 Ca 0.52 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3kqx s VAL 524 Cb -0.29 -0.59 -0.00 0.00 0.00 0.00 0.00 36.38 35.50 3kqx s VAL 524 CO 0.33 -0.35 -0.11 0.86 0.00 0.00 0.00 175.10 175.84 3kqx s TRP 525 N -1.29 1.05 -0.00 5.22 -0.11 0.89 -4.91 118.94 119.80 3kqx s TRP 525 Ca -0.09 -0.25 -0.30 0.00 1.22 0.00 0.00 56.10 56.67 3kqx s TRP 525 Cb -0.09 -0.73 -0.05 0.00 -1.50 0.00 0.00 33.47 31.09 3kqx s TRP 525 CO 0.00 -0.09 1.39 -0.46 -4.62 0.00 0.00 176.95 173.18 3kqx s TRP 526 N 0.06 2.88 0.08 5.86 -0.00 -1.26 -0.71 118.94 125.85 3kqx s TRP 526 Ca -0.01 0.84 0.10 0.00 -0.00 0.00 0.00 56.10 57.03 3kqx s TRP 526 Cb -0.08 -3.65 -0.03 0.00 -0.00 0.00 0.00 33.47 29.71 3kqx s TRP 526 CO 0.00 -2.38 -0.26 -0.51 -0.00 0.00 0.00 176.95 173.81 3kqx s LEU 527 N 2.36 2.24 0.33 5.86 1.43 0.77 -4.89 118.68 126.77 3kqx s LEU 527 Ca 0.63 -0.65 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 3kqx s LEU 527 Cb -0.31 -1.20 -0.10 0.00 0.03 0.00 0.00 46.19 44.62 3kqx s LEU 527 CO 0.26 0.20 0.87 -2.16 0.23 0.00 0.00 176.35 175.76 3kqx s PRO 528 N -1.60 4.36 -0.49 1.29 0.04 -1.26 -4.27 135.00 133.06 3kqx s PRO 528 Ca 0.12 1.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.06 3kqx s PRO 528 Cb -0.10 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.86 3kqx s PRO 528 CO 0.04 0.22 0.66 0.42 0.04 0.00 0.00 177.00 178.37 3kqx s ILE 529 N -1.77 4.82 -0.48 0.56 1.01 -1.26 -4.85 121.20 119.22 3kqx s ILE 529 Ca 0.52 -0.28 -0.21 0.00 0.00 0.00 0.00 60.65 60.68 3kqx s ILE 529 Cb -0.15 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.06 3kqx s ILE 529 CO 0.20 -0.78 0.70 -0.63 0.00 0.00 0.00 174.94 174.42 3kqx s ILE 530 N 2.80 4.75 0.35 2.92 1.01 -1.26 -4.91 121.20 126.85 3kqx s ILE 530 Ca 0.18 -0.05 0.24 0.00 0.00 0.00 0.00 60.65 61.03 3kqx s ILE 530 Cb -0.17 -4.31 0.25 0.00 0.01 0.00 0.00 42.46 38.24 3kqx s ILE 530 CO 0.14 -0.77 1.98 0.78 0.00 0.00 0.00 174.94 177.07 3kqx h ASN 531 N 9.00 0.00 -0.41 3.58 4.21 -2.00 -1.94 115.58 128.02 3kqx h ASN 531 Ca -0.26 0.00 0.12 0.00 1.21 0.00 0.00 56.30 57.37 3kqx h ASN 531 Cb 1.09 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.27 3kqx h ASN 531 CO 0.96 0.18 0.32 -0.08 -1.29 0.00 0.00 177.43 177.52 3kqx h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.05 -2.13 114.58 116.02 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 0.47 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3kqx h GLU 532 CO 0.02 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.96 3kqx n TYR 533 N -4.24 0.25 -0.27 0.92 4.01 -0.73 -4.10 117.16 112.99 3kqx n TYR 533 Ca 0.07 0.07 0.03 0.00 -0.16 0.00 0.00 57.90 57.91 3kqx n TYR 533 Cb 0.51 -0.62 0.25 0.00 -0.31 0.00 0.00 39.34 39.17 3kqx n TYR 533 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kqx h ARG 534 N 0.00 0.99 -0.08 -0.72 9.65 -1.55 -1.58 114.38 121.09 3kqx h ARG 534 Ca 0.00 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3kqx h ARG 534 Cb 0.56 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 3kqx h ARG 534 CO 0.00 0.65 0.09 0.00 2.80 0.00 0.00 179.97 183.51 3kqx h ALA 535 N 1.52 1.65 0.00 2.80 0.00 -1.79 0.41 119.26 123.85 3kqx h ALA 535 Ca 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3kqx h ALA 535 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kqx h ALA 535 CO -0.11 -0.13 0.00 0.25 0.00 0.00 0.00 179.25 179.26 3kqx n THR 536 N -3.84 0.43 0.76 0.00 -2.24 -0.59 -1.79 114.28 107.00 3kqx n THR 536 Ca -0.01 0.11 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 3kqx n THR 536 Cb 0.18 -0.71 0.20 0.00 -2.10 0.00 0.00 70.33 67.90 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 -1.50 2.14 -4.62 3.22 4.77 0.13 -4.36 117.00 116.78 3kqx n LEU 537 Ca 0.06 -1.05 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 3kqx n LEU 537 Cb 0.27 -0.25 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3kqx n LEU 537 CO 0.21 0.52 1.19 0.20 -1.33 0.00 0.00 177.39 178.19 3kqx s ASN 538 N -1.07 6.54 0.14 -1.43 0.01 -0.74 -0.94 114.94 117.44 3kqx s ASN 538 Ca 0.28 1.17 -0.24 0.00 -0.71 0.00 0.00 52.86 53.36 3kqx s ASN 538 Cb 0.15 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 39.19 3kqx s ASN 538 CO 0.20 -1.20 0.73 -0.55 -1.51 0.00 0.00 177.10 174.77 3kqx s SER 539 N 3.30 7.30 0.38 -1.22 0.15 -1.26 -4.76 113.70 117.59 3kqx s SER 539 Ca 0.60 1.54 0.08 0.00 0.70 0.00 0.00 55.95 58.87 3kqx s SER 539 Cb -0.17 -2.47 0.76 0.00 -1.71 0.00 0.00 66.02 62.44 3kqx s SER 539 CO 0.26 0.21 1.94 0.50 1.20 0.00 0.00 173.24 177.36 3kqx h LYS 540 N 4.47 0.38 0.00 5.44 1.63 -1.97 -3.38 116.57 123.14 3kqx h LYS 540 Ca -0.47 -0.07 -0.13 0.00 -0.85 0.00 0.00 60.65 59.13 3kqx h LYS 540 Cb 1.21 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 3kqx h LYS 540 CO 0.66 0.41 -1.51 0.66 -3.45 0.00 0.00 179.45 176.22 3kqx n TYR 541 N -4.33 0.00 -2.99 1.91 4.01 -1.26 -5.06 117.16 109.44 3kqx n TYR 541 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 3kqx n TYR 541 Cb 0.21 -0.34 0.03 0.00 -0.31 0.00 0.00 39.34 38.93 3kqx n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqx s ALA 542 N -2.18 4.55 0.37 -0.72 0.00 -1.26 -5.00 121.76 117.52 3kqx s ALA 542 Ca -0.12 -1.83 0.06 0.00 0.00 0.00 0.00 51.96 50.07 3kqx s ALA 542 Cb 0.03 -1.59 0.72 0.00 0.00 0.00 0.00 23.12 22.28 3kqx s ALA 542 CO 0.21 -0.54 1.95 -0.44 0.00 0.00 0.00 175.76 176.94 3kqx h ASP 543 N 0.42 0.46 -4.66 0.00 3.32 -1.77 -3.38 116.42 110.81 3kqx h ASP 543 Ca -0.36 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.54 3kqx h ASP 543 Cb 1.28 -0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 3kqx h ASP 543 CO 0.44 0.46 -0.04 -0.51 -1.72 0.00 0.00 179.24 177.87 3kqx s ILE 544 N -5.15 0.02 0.23 0.35 2.07 -0.80 -4.50 121.20 113.42 3kqx s ILE 544 Ca -0.08 -0.15 -0.24 0.00 -1.41 0.00 0.00 60.65 58.77 3kqx s ILE 544 Cb 0.16 -0.80 -0.09 0.00 0.13 0.00 0.00 42.46 41.86 3kqx s ILE 544 CO 0.75 -0.08 0.83 0.20 -1.91 0.00 0.00 174.94 174.72 3kqx s ASN 545 N -0.76 7.31 0.21 4.50 0.01 -0.11 -1.24 114.94 124.85 3kqx s ASN 545 Ca -0.08 1.67 -0.09 0.00 -0.71 0.00 0.00 52.86 53.65 3kqx s ASN 545 Cb -0.03 -2.51 0.15 0.00 0.41 0.00 0.00 41.25 39.27 3kqx s ASN 545 CO 0.05 0.08 1.78 -0.61 -1.51 0.00 0.00 177.10 176.89 3kqx h GLN 546 N 3.72 1.13 -5.31 -0.60 4.15 -1.56 -3.46 115.11 113.18 3kqx h GLN 546 Ca -0.47 -0.19 -0.39 0.00 0.77 0.00 0.00 58.65 58.36 3kqx h GLN 546 Cb 1.20 -0.19 -0.14 0.00 0.21 0.00 0.00 27.48 28.55 3kqx h GLN 546 CO 0.66 0.91 -0.72 0.96 -1.93 0.00 0.00 178.83 178.71 3kqx s ILE 547 N -5.60 1.43 0.13 2.39 -4.36 -1.26 -4.94 121.20 108.99 3kqx s ILE 547 Ca -0.13 -2.13 -0.28 0.00 -0.26 0.00 0.00 60.65 57.86 3kqx s ILE 547 Cb 0.15 -2.01 -0.07 0.00 1.25 0.00 0.00 42.46 41.78 3kqx s ILE 547 CO 0.83 -0.62 0.86 -0.55 0.24 0.00 0.00 174.94 175.70 3kqx s SER 548 N -3.26 7.42 0.04 4.36 0.15 -1.26 -4.77 113.70 116.38 3kqx s SER 548 Ca 0.21 1.69 0.24 0.00 0.70 0.00 0.00 55.95 58.79 3kqx s SER 548 Cb 0.01 -2.54 0.27 0.00 -1.71 0.00 0.00 66.02 62.05 3kqx s SER 548 CO 0.05 0.06 1.23 -1.54 1.20 0.00 0.00 173.24 174.23 3kqx n SER 549 N 2.30 0.62 -0.09 5.45 3.41 -1.26 -4.56 113.62 119.48 3kqx n SER 549 Ca -0.02 -0.20 -0.12 0.00 -0.26 0.00 0.00 58.87 58.27 3kqx n SER 549 Cb 0.49 0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 64.80 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 -1.80 2.24 -4.72 4.04 3.41 -1.26 -5.02 113.62 110.52 3kqx n SER 550 Ca 0.04 -0.08 -0.38 0.00 -0.26 0.00 0.00 58.87 58.19 3kqx n SER 550 Cb 0.39 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.38 5.19 -0.94 -3.33 1.01 -1.26 -4.95 120.40 113.73 3kqx s VAL 551 Ca -0.22 0.96 0.25 0.00 0.00 0.00 0.00 61.98 62.98 3kqx s VAL 551 Cb 0.06 -3.82 0.05 0.00 0.00 0.00 0.00 36.38 32.67 3kqx s VAL 551 CO 0.48 0.32 1.48 0.29 0.00 0.00 0.00 175.10 177.67 3kqx n LYS 552 N 3.69 0.05 -1.64 2.72 5.02 -1.26 -4.59 118.16 122.16 3kqx n LYS 552 Ca -0.07 0.02 -0.41 0.00 -2.02 0.00 0.00 58.31 55.83 3kqx n LYS 552 Cb 0.52 -1.53 -0.03 0.00 -0.02 0.00 0.00 35.03 33.96 3kqx n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqx n ALA 553 N -1.56 3.81 -0.14 7.82 0.00 -1.26 -4.76 120.51 124.42 3kqx n ALA 553 Ca 0.05 -3.51 -0.01 0.00 0.00 0.00 0.00 53.44 49.97 3kqx n ALA 553 Cb 0.35 -3.58 0.23 0.00 0.00 0.00 0.00 19.45 16.45 3kqx n ALA 553 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kqx h SER 554 N 7.54 0.77 -0.11 0.00 0.02 -1.98 -1.15 113.55 118.64 3kqx h SER 554 Ca 0.44 -0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 61.19 3kqx h SER 554 Cb 0.72 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3kqx h SER 554 CO 1.77 0.68 -0.28 0.28 -1.14 0.00 0.00 176.83 178.14 3kqx h SER 555 N 0.84 0.59 -0.15 3.07 0.02 -1.94 0.49 113.55 116.46 3kqx h SER 555 Ca 0.20 -0.22 -0.04 0.00 -0.84 0.00 0.00 61.79 60.89 3kqx h SER 555 Cb 0.15 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3kqx h SER 555 CO -0.02 0.85 -0.06 0.40 -1.14 0.00 0.00 176.83 176.86 3kqx h ILE 556 N 0.50 1.30 -0.53 3.27 2.04 -1.72 -2.75 117.51 119.61 3kqx h ILE 556 Ca 0.06 -1.06 0.07 0.00 1.00 0.00 0.00 64.86 64.94 3kqx h ILE 556 Cb 0.75 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 38.45 3kqx h ILE 556 CO 0.06 0.31 0.20 0.58 0.00 0.00 0.00 178.15 179.30 3kqx h VAL 557 N -0.01 0.82 -0.43 1.67 2.07 -1.07 -1.01 116.25 118.29 3kqx h VAL 557 Ca 0.04 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 3kqx h VAL 557 Cb 0.51 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3kqx h VAL 557 CO 0.02 0.07 0.11 0.00 0.02 0.00 0.00 177.57 177.79 3kqx h ALA 558 N 1.35 1.39 -0.50 1.67 0.00 -0.94 -0.91 119.26 121.31 3kqx h ALA 558 Ca 0.26 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3kqx h ALA 558 Cb 0.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3kqx h ALA 558 CO -0.26 0.44 -0.07 0.77 0.00 0.00 0.00 179.25 180.14 3kqx h SER 559 N 0.63 0.93 -0.76 0.00 0.02 -1.10 -1.43 113.55 111.84 3kqx h SER 559 Ca 0.15 -0.34 0.05 0.00 -0.84 0.00 0.00 61.79 60.81 3kqx h SER 559 Cb 0.22 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 62.46 3kqx h SER 559 CO -0.00 1.05 0.46 -0.07 -1.14 0.00 0.00 176.83 177.12 3kqx h LEU 560 N 0.79 0.72 0.11 5.07 3.38 -0.68 -1.00 115.31 123.70 3kqx h LEU 560 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3kqx h LEU 560 Cb 0.61 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3kqx h LEU 560 CO 0.04 0.47 -0.05 0.15 0.09 0.00 0.00 178.44 179.13 3kqx h PHE 561 N 0.85 -0.14 -0.81 1.13 3.04 -0.84 -3.13 116.94 117.04 3kqx h PHE 561 Ca 0.33 -0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.28 3kqx h PHE 561 Cb 0.15 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.66 3kqx h PHE 561 CO -0.05 -0.01 0.51 -0.07 -2.02 0.00 0.00 178.31 176.66 3kqx h LEU 562 N -0.23 0.96 -2.03 0.59 3.38 -1.15 -1.21 115.31 115.62 3kqx h LEU 562 Ca -0.02 -0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.04 3kqx h LEU 562 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kqx h LEU 562 CO 0.02 0.72 0.37 0.50 0.09 0.00 0.00 178.44 180.15 3kqx h LYS 563 N 1.11 0.00 0.00 1.13 3.64 -1.13 -0.72 116.57 120.60 3kqx h LYS 563 Ca 0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3kqx h LYS 563 Cb -0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3kqx h LYS 563 CO -0.06 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.51 3kqx n GLU 564 N -4.11 0.00 -0.36 1.90 -0.58 -0.46 -2.85 120.64 114.19 3kqx n GLU 564 Ca 0.08 0.24 0.08 0.00 -0.42 0.00 0.00 57.16 57.13 3kqx n GLU 564 Cb 0.57 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 30.17 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 -1.50 0.85 -3.91 -0.32 3.01 -0.28 -4.82 117.46 110.51 3kqx n PHE 565 Ca 0.04 -0.63 -0.30 0.00 1.01 0.00 0.00 57.45 57.56 3kqx n PHE 565 Cb 0.18 -0.16 -0.16 0.00 -0.01 0.00 0.00 39.48 39.33 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 -1.72 1.36 -0.16 -4.37 1.01 -1.13 -3.87 120.40 111.52 3kqx s VAL 566 Ca 0.36 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 3kqx s VAL 566 Cb 0.24 -1.67 -0.24 0.00 0.00 0.00 0.00 36.38 34.71 3kqx s VAL 566 CO 0.16 -0.12 0.55 1.56 0.00 0.00 0.00 175.10 177.26 3kqx h GLN 567 N 8.00 0.03 0.00 2.72 7.50 -1.87 -3.44 115.11 128.05 3kqx h GLN 567 Ca -0.18 -0.06 -0.07 0.00 0.50 0.00 0.00 58.65 58.85 3kqx h GLN 567 Cb 1.08 0.02 -0.14 0.00 0.05 0.00 0.00 27.48 28.49 3kqx h GLN 567 CO 0.40 1.03 -0.67 0.09 -1.50 0.00 0.00 178.83 178.18 3kqx n ASN 568 N -4.46 0.58 -4.10 1.46 3.02 -1.26 -5.08 115.26 105.41 3kqx n ASN 568 Ca -0.20 -2.15 -0.20 0.00 -0.03 0.00 0.00 54.58 52.01 3kqx n ASN 568 Cb 0.61 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.37 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kqx s THR 569 N -0.31 1.00 0.17 3.41 2.01 -1.26 -5.10 115.64 115.56 3kqx s THR 569 Ca 0.16 -0.74 -0.32 0.00 0.31 0.00 0.00 61.69 61.11 3kqx s THR 569 Cb 0.18 -0.87 -0.11 0.00 0.01 0.00 0.00 72.50 71.70 3kqx s THR 569 CO -0.06 0.13 1.72 0.00 -0.69 0.00 0.00 174.62 175.72 3kqx s ALA 570 N -0.56 3.85 -0.02 7.40 0.00 -1.25 -4.93 121.76 126.25 3kqx s ALA 570 Ca 0.03 1.50 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 3kqx s ALA 570 Cb -0.06 -3.70 0.01 0.00 0.00 0.00 0.00 23.12 19.37 3kqx s ALA 570 CO 0.00 -0.99 0.06 -0.46 0.00 0.00 0.00 175.76 174.37 3kqx s TRP 571 N 1.66 -0.05 0.08 0.00 -0.00 -1.26 -1.19 118.94 118.18 3kqx s TRP 571 Ca 0.76 0.17 0.02 0.00 -0.00 0.00 0.00 56.10 57.05 3kqx s TRP 571 Cb -0.47 -0.04 -0.03 0.00 -0.00 0.00 0.00 33.47 32.93 3kqx s TRP 571 CO 0.33 -0.05 -0.08 0.00 -0.00 0.00 0.00 176.95 177.15 3kqx s ALA 572 N 0.33 0.86 -0.07 5.86 0.00 -0.57 -1.62 121.76 126.55 3kqx s ALA 572 Ca -0.03 -1.11 -0.01 0.00 0.00 0.00 0.00 51.96 50.82 3kqx s ALA 572 Cb -0.04 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.20 3kqx s ALA 572 CO -0.01 -0.12 -0.02 -1.58 0.00 0.00 0.00 175.76 174.04 3kqx s HIS 573 N -2.58 0.80 -0.31 0.00 2.46 -0.12 -0.96 115.29 114.57 3kqx s HIS 573 Ca 0.03 -0.26 -0.07 0.00 0.47 0.00 0.00 55.06 55.23 3kqx s HIS 573 Cb -0.02 -0.84 0.02 0.00 -0.13 0.00 0.00 32.58 31.60 3kqx s HIS 573 CO -0.02 -0.34 0.09 0.42 -2.47 0.00 0.00 174.74 172.42 3kqx s ILE 574 N 1.78 3.95 -0.41 0.89 1.01 0.86 -1.62 121.20 127.66 3kqx s ILE 574 Ca 0.03 -0.79 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 3kqx s ILE 574 Cb -0.13 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.28 3kqx s ILE 574 CO -0.05 0.02 0.48 -0.62 0.00 0.00 0.00 174.94 174.77 3kqx s ASP 575 N 1.48 6.24 -0.12 3.58 -1.08 -0.30 -1.17 116.67 125.30 3kqx s ASP 575 Ca 0.02 -0.47 0.15 0.00 -0.52 0.00 0.00 52.55 51.73 3kqx s ASP 575 Cb -0.18 -2.25 0.53 0.00 -1.46 0.00 0.00 42.92 39.57 3kqx s ASP 575 CO 0.03 -0.59 1.44 2.30 0.52 0.00 0.00 175.17 178.87 3kqx n ILE 576 N 5.51 1.87 -0.16 4.11 -5.35 0.91 -2.88 119.36 123.36 3kqx n ILE 576 Ca -0.06 -1.46 0.12 0.00 -0.27 0.00 0.00 62.75 61.08 3kqx n ILE 576 Cb 0.48 0.04 0.45 0.00 -1.74 0.00 0.00 39.64 38.86 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 2.51 1.94 0.00 -1.28 0.00 -1.83 -1.27 119.26 119.34 3kqx h ALA 577 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.67 3kqx h ALA 577 Cb 1.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 3kqx h ALA 577 CO 0.18 -0.11 -1.20 0.78 0.00 0.00 0.00 179.25 178.90 3kqx h GLY 578 N 0.54 0.00 -0.09 0.00 0.00 -1.82 -3.38 103.07 98.31 3kqx h GLY 578 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3kqx h GLY 578 CO -0.12 0.00 -0.91 3.33 0.00 0.00 0.00 176.54 178.84 3kqx n VAL 579 N -3.26 0.00 -0.11 4.60 0.24 -0.88 -4.27 118.33 114.66 3kqx n VAL 579 Ca -0.05 -0.04 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 3kqx n VAL 579 Cb 0.97 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 34.33 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 0.21 0.86 -3.43 -1.34 0.87 -1.44 -3.43 113.55 105.85 3kqx h SER 580 Ca 0.00 -0.47 -0.62 0.00 -1.23 0.00 0.00 61.79 59.48 3kqx h SER 580 Cb 0.50 -0.24 -0.15 0.00 -0.44 0.00 0.00 62.40 62.07 3kqx h SER 580 CO 0.00 1.15 -0.53 0.86 -0.53 0.00 0.00 176.83 177.79 3kqx s TRP 581 N -4.39 3.30 -0.75 2.24 -0.11 -1.26 -0.94 118.94 117.03 3kqx s TRP 581 Ca -0.12 0.16 -0.25 0.00 1.22 0.00 0.00 56.10 57.11 3kqx s TRP 581 Cb 0.10 -2.19 0.05 0.00 -1.50 0.00 0.00 33.47 29.93 3kqx s TRP 581 CO 0.85 0.11 1.20 1.21 -4.62 0.00 0.00 176.95 175.70 3kqx s ASN 582 N 0.75 6.22 0.30 5.86 3.84 0.18 -4.89 114.94 127.20 3kqx s ASN 582 Ca 0.06 -0.76 -0.02 0.00 0.21 0.00 0.00 52.86 52.35 3kqx s ASN 582 Cb -0.13 -2.52 0.47 0.00 -0.55 0.00 0.00 41.25 38.52 3kqx s ASN 582 CO 0.02 -1.67 1.97 -0.26 -2.79 0.00 0.00 177.10 174.38 3kqx h PHE 583 N 9.83 1.01 -0.25 0.43 -1.00 -1.97 0.14 116.94 125.13 3kqx h PHE 583 Ca -0.22 0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.44 3kqx h PHE 583 Cb 1.05 -0.34 -0.00 0.00 3.61 0.00 0.00 35.95 40.27 3kqx h PHE 583 CO 1.10 0.64 -0.42 0.87 -1.61 0.00 0.00 178.31 178.88 3kqx h LYS 584 N 1.09 0.74 -0.01 1.51 1.57 -1.94 -3.19 116.57 116.33 3kqx h LYS 584 Ca 0.29 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3kqx h LYS 584 Cb -0.13 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3kqx h LYS 584 CO -0.06 1.08 -0.27 0.00 -0.57 0.00 0.00 179.45 179.62 3kqx n ALA 585 N -2.53 3.12 -3.40 3.86 0.00 -1.13 -4.97 120.51 115.45 3kqx n ALA 585 Ca -0.05 -0.47 -0.19 0.00 0.00 0.00 0.00 53.44 52.73 3kqx n ALA 585 Cb 0.55 -1.05 0.07 0.00 0.00 0.00 0.00 19.45 19.03 3kqx n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqx n ARG 586 N -0.35 -6.66 -3.81 0.00 1.74 0.46 -5.00 116.66 103.02 3kqx n ARG 586 Ca 0.12 0.74 -0.09 0.00 -0.77 0.00 0.00 57.85 57.85 3kqx n ARG 586 Cb 0.38 -5.49 -0.04 0.00 -1.02 0.00 0.00 32.46 26.29 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 -5.83 1.38 0.65 5.56 -2.85 -1.02 -5.02 119.74 112.61 3kqx s LYS 587 Ca 0.34 -0.97 -0.14 0.00 -1.00 0.00 0.00 55.97 54.20 3kqx s LYS 587 Cb -0.15 0.49 -0.01 0.00 -2.06 0.00 0.00 37.83 36.11 3kqx s LYS 587 CO 0.65 -0.58 1.07 -2.14 0.10 0.00 0.00 175.35 174.45 3kqx s PRO 588 N -3.91 3.01 0.09 1.78 0.02 -1.26 0.50 135.00 135.23 3kqx s PRO 588 Ca 0.12 1.18 0.24 0.00 0.02 0.00 0.00 61.00 62.56 3kqx s PRO 588 Cb -0.00 -1.99 0.28 0.00 0.02 0.00 0.00 34.50 32.80 3kqx s PRO 588 CO -0.00 -1.06 1.25 1.63 -0.33 0.00 0.00 177.00 178.49 3kqx n LYS 589 N -2.52 0.27 -3.19 5.54 5.02 -0.12 -4.64 118.16 118.52 3kqx n LYS 589 Ca 0.09 0.06 -0.23 0.00 -2.02 0.00 0.00 58.31 56.20 3kqx n LYS 589 Cb 0.53 -1.65 0.03 0.00 -0.02 0.00 0.00 35.03 33.92 3kqx n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqx n GLY 590 N 1.36 -0.52 3.77 0.72 0.00 -1.26 -4.92 105.19 104.34 3kqx n GLY 590 Ca 0.03 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3kqx n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqx s PHE 591 N -3.14 3.07 0.00 1.61 5.36 -1.26 -3.43 117.98 120.18 3kqx s PHE 591 Ca 0.37 1.44 0.00 0.00 -0.96 0.00 0.00 56.93 57.77 3kqx s PHE 591 Cb -0.17 -3.65 0.00 0.00 -0.34 0.00 0.00 43.02 38.86 3kqx s PHE 591 CO 0.46 -1.78 0.00 0.41 -1.46 0.00 0.00 175.22 172.84 3kqx n GLY 592 N 0.81 3.04 0.09 13.12 0.00 -1.26 -4.70 105.19 116.28 3kqx n GLY 592 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.06 -0.33 1.61 2.07 -1.76 -1.13 116.25 117.78 3kqx h VAL 593 Ca 0.00 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 67.20 3kqx h VAL 593 Cb 0.00 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3kqx h VAL 593 CO 0.00 0.06 -0.47 0.03 0.02 0.00 0.00 177.57 177.21 3kqx h ARG 594 N 0.16 0.87 0.05 1.57 3.08 -1.90 -1.59 114.38 116.62 3kqx h ARG 594 Ca 0.05 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.62 3kqx h ARG 594 Cb 0.02 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3kqx h ARG 594 CO -0.01 1.14 -0.20 1.25 -1.07 0.00 0.00 179.97 181.08 3kqx h LEU 595 N 0.69 -0.59 -0.60 3.04 5.85 -1.83 0.59 115.31 122.47 3kqx h LEU 595 Ca 0.04 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 3kqx h LEU 595 Cb 1.06 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 3kqx h LEU 595 CO 0.11 -0.28 0.21 -0.07 -0.34 0.00 0.00 178.44 178.07 3kqx h LEU 596 N -0.35 0.85 -0.50 2.25 3.38 -1.21 -1.90 115.31 117.83 3kqx h LEU 596 Ca 0.05 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3kqx h LEU 596 Cb 0.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3kqx h LEU 596 CO -0.16 0.81 0.04 0.74 0.09 0.00 0.00 178.44 179.96 3kqx h THR 597 N 0.83 1.26 -1.00 0.22 2.02 -1.15 -1.38 112.91 113.71 3kqx h THR 597 Ca 0.20 -1.01 0.03 0.00 0.77 0.00 0.00 66.41 66.39 3kqx h THR 597 Cb 0.25 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 3kqx h THR 597 CO -0.01 0.36 0.66 -0.33 0.37 0.00 0.00 175.52 176.56 3kqx h GLU 598 N 0.72 1.26 -0.13 6.66 4.39 -0.78 -1.68 114.58 125.02 3kqx h GLU 598 Ca 0.15 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.82 3kqx h GLU 598 Cb 0.46 -0.28 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 3kqx h GLU 598 CO 0.02 0.83 -0.30 0.35 -1.16 0.00 0.00 179.01 178.75 3kqx h PHE 599 N 1.30 -0.81 -0.20 4.33 3.57 -1.06 0.11 116.94 124.17 3kqx h PHE 599 Ca 0.38 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 3kqx h PHE 599 Cb -0.06 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3kqx h PHE 599 CO -0.00 -0.38 0.10 0.28 -2.23 0.00 0.00 178.31 176.08 3kqx h VAL 600 N -0.37 1.13 -0.46 1.41 2.07 -0.97 -1.95 116.25 117.10 3kqx h VAL 600 Ca 0.10 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 3kqx h VAL 600 Cb 0.52 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3kqx h VAL 600 CO -0.34 0.12 -0.06 -0.07 0.02 0.00 0.00 177.57 177.24 3kqx h LEU 601 N 0.20 0.85 -0.67 2.57 4.07 -1.24 -3.10 115.31 117.99 3kqx h LEU 601 Ca 0.07 -0.34 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 3kqx h LEU 601 Cb 0.10 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.59 3kqx h LEU 601 CO -0.01 0.99 0.09 0.78 -1.08 0.00 0.00 178.44 179.21 3kqx h ASN 602 N 0.70 1.08 0.00 -0.43 2.35 -0.73 -3.51 115.58 115.03 3kqx h ASN 602 Ca 0.12 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3kqx h ASN 602 Cb 0.59 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3kqx h ASN 602 CO 0.04 1.07 0.00 -0.67 -1.65 0.00 0.00 177.43 176.22