#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 5.66 0.20 0.00 0.01 -1.26 -5.09 113.70 113.22 3kqx s SER 86 Ca 0.00 -0.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 3kqx s SER 86 Cb 0.00 -1.53 -0.08 0.00 0.21 0.00 0.00 66.02 64.61 3kqx s SER 86 CO 0.00 0.09 1.20 -1.83 0.41 0.00 0.00 173.24 173.11 3kqx s GLU 87 N -2.96 4.50 -0.24 12.44 1.03 -1.26 -4.92 118.70 127.29 3kqx s GLU 87 Ca 0.31 1.90 -0.29 0.00 0.03 0.00 0.00 54.97 56.92 3kqx s GLU 87 Cb -0.11 -3.22 0.01 0.00 -0.80 0.00 0.00 34.13 30.01 3kqx s GLU 87 CO 0.24 -0.07 1.10 0.08 -1.33 0.00 0.00 175.26 175.28 3kqx s VAL 88 N -0.23 4.54 0.65 1.83 1.01 -1.26 -5.03 120.40 121.91 3kqx s VAL 88 Ca 0.52 1.84 -0.16 0.00 0.00 0.00 0.00 61.98 64.18 3kqx s VAL 88 Cb -0.33 -4.26 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 3kqx s VAL 88 CO 0.38 -0.24 1.16 -2.16 0.00 0.00 0.00 175.10 174.24 3kqx s PRO 89 N 3.39 2.74 0.06 2.72 0.04 -1.26 -4.97 135.00 137.71 3kqx s PRO 89 Ca 0.47 1.61 0.04 0.00 0.04 0.00 0.00 61.00 63.16 3kqx s PRO 89 Cb -0.16 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3kqx s PRO 89 CO 0.10 -1.34 -0.12 -0.65 0.04 0.00 0.00 177.00 175.03 3kqx s GLN 90 N -3.76 0.71 -0.20 4.56 -0.21 -1.26 -5.03 119.66 114.47 3kqx s GLN 90 Ca 0.72 -0.84 -0.14 0.00 0.02 0.00 0.00 55.36 55.11 3kqx s GLN 90 Cb -0.25 -0.63 -0.20 0.00 1.00 0.00 0.00 33.01 32.93 3kqx s GLN 90 CO 0.39 0.14 0.12 0.28 -2.12 0.00 0.00 175.29 174.09 3kqx n VAL 91 N 1.45 1.60 -4.51 1.09 0.31 -1.26 -4.95 118.33 112.06 3kqx n VAL 91 Ca -0.21 -0.31 -0.25 0.00 -0.01 0.00 0.00 64.34 63.56 3kqx n VAL 91 Cb 0.54 -1.88 -0.10 0.00 -0.91 0.00 0.00 33.84 31.49 3kqx n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kqx s VAL 92 N -2.46 2.36 -0.60 2.52 -7.23 -1.26 -5.03 120.40 108.70 3kqx s VAL 92 Ca -0.29 -2.29 0.20 0.00 -1.81 0.00 0.00 61.98 57.79 3kqx s VAL 92 Cb 0.08 -2.50 0.20 0.00 0.56 0.00 0.00 36.38 34.71 3kqx s VAL 92 CO 0.62 -0.29 1.60 -1.54 -0.31 0.00 0.00 175.10 175.19 3kqx n SER 93 N -0.72 0.45 -0.10 4.85 3.41 -1.26 -2.12 113.62 118.12 3kqx n SER 93 Ca -0.05 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 3kqx n SER 93 Cb 0.62 -0.72 0.52 0.00 -0.26 0.00 0.00 64.21 64.37 3kqx n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqx n LEU 94 N -2.01 0.51 -4.71 1.04 4.77 -1.26 -4.85 117.00 110.47 3kqx n LEU 94 Ca 0.02 0.02 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 3kqx n LEU 94 Cb 0.18 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3kqx n LEU 94 CO 0.16 0.10 1.28 -1.81 -1.33 0.00 0.00 177.39 175.79 3kqx s ASP 95 N -2.62 6.55 0.52 -1.43 1.01 -0.90 -4.97 116.67 114.81 3kqx s ASP 95 Ca 0.24 2.65 -0.22 0.00 0.71 0.00 0.00 52.55 55.92 3kqx s ASP 95 Cb 0.19 -2.59 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 3kqx s ASP 95 CO 0.52 -0.87 1.27 -2.16 0.21 0.00 0.00 175.17 174.15 3kqx s PRO 96 N 1.45 3.36 0.00 8.23 0.04 -1.26 -4.97 135.00 141.85 3kqx s PRO 96 Ca 0.72 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.86 3kqx s PRO 96 Cb -0.44 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 31.92 3kqx s PRO 96 CO 0.32 -0.94 0.87 0.25 0.04 0.00 0.00 177.00 177.53 3kqx n THR 97 N -0.87 0.28 -3.95 1.26 -2.24 -1.26 -4.85 114.28 102.65 3kqx n THR 97 Ca 0.09 -0.64 -0.09 0.00 -2.27 0.00 0.00 64.05 61.14 3kqx n THR 97 Cb 0.47 0.97 -0.05 0.00 -2.10 0.00 0.00 70.33 69.62 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 -0.74 -0.13 -0.19 3.42 1.04 -1.26 -4.71 113.70 111.13 3kqx s SER 98 Ca 0.11 -0.83 -0.17 0.00 0.48 0.00 0.00 55.95 55.54 3kqx s SER 98 Cb 0.07 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 3kqx s SER 98 CO 0.10 -1.15 0.44 -0.63 0.98 0.00 0.00 173.24 172.98 3kqx s ILE 99 N -3.99 5.17 0.22 -1.02 1.01 -1.26 -4.85 121.20 116.49 3kqx s ILE 99 Ca 0.19 0.80 -0.30 0.00 0.00 0.00 0.00 60.65 61.35 3kqx s ILE 99 Cb -0.01 -3.77 -0.09 0.00 0.01 0.00 0.00 42.46 38.60 3kqx s ILE 99 CO 0.07 0.24 1.15 -2.16 0.00 0.00 0.00 174.94 174.25 3kqx s PRO 100 N 1.29 4.55 -0.05 2.79 0.04 -1.26 -5.02 135.00 137.34 3kqx s PRO 100 Ca 0.21 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3kqx s PRO 100 Cb -0.15 -3.22 0.02 0.00 0.04 0.00 0.00 34.50 31.20 3kqx s PRO 100 CO 0.09 0.04 -0.02 0.42 0.04 0.00 0.00 177.00 177.56 3kqx s ILE 101 N -0.52 0.39 -0.24 0.56 -1.09 -1.26 -4.98 121.20 114.06 3kqx s ILE 101 Ca 0.49 0.00 -0.14 0.00 -2.23 0.00 0.00 60.65 58.77 3kqx s ILE 101 Cb -0.32 -0.47 -0.04 0.00 -1.58 0.00 0.00 42.46 40.05 3kqx s ILE 101 CO 0.39 0.21 0.33 -1.61 -1.23 0.00 0.00 174.94 173.03 3kqx s GLU 102 N 1.20 4.08 -0.25 2.79 0.41 -1.26 -4.96 118.70 120.71 3kqx s GLU 102 Ca -0.07 0.02 -0.15 0.00 -0.41 0.00 0.00 54.97 54.35 3kqx s GLU 102 Cb -0.14 -3.59 -0.11 0.00 -1.78 0.00 0.00 34.13 28.51 3kqx s GLU 102 CO -0.02 -0.13 -0.30 0.66 -0.49 0.00 0.00 175.26 174.98 3kqx n TYR 103 N 4.83 0.11 -2.76 1.61 4.02 -1.26 -4.81 117.16 118.91 3kqx n TYR 103 Ca -0.10 0.05 -0.42 0.00 -0.01 0.00 0.00 57.90 57.42 3kqx n TYR 103 Cb 0.51 -0.90 -0.03 0.00 -0.02 0.00 0.00 39.34 38.89 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 -7.08 6.21 0.29 7.72 0.01 -1.26 -5.02 114.94 115.80 3kqx s ASN 104 Ca -0.35 -0.92 0.06 0.00 -0.71 0.00 0.00 52.86 50.94 3kqx s ASN 104 Cb 0.12 -2.47 -0.02 0.00 0.41 0.00 0.00 41.25 39.29 3kqx s ASN 104 CO 0.48 -1.54 0.37 0.42 -1.51 0.00 0.00 177.10 175.31 3kqx s THR 105 N 4.53 4.48 0.57 1.60 -4.23 -1.26 -4.99 115.64 116.34 3kqx s THR 105 Ca 0.28 -1.11 0.27 0.00 -1.18 0.00 0.00 61.69 59.95 3kqx s THR 105 Cb -0.13 -3.54 0.37 0.00 1.34 0.00 0.00 72.50 70.54 3kqx s THR 105 CO 0.09 -0.25 2.05 -0.65 -0.54 0.00 0.00 174.62 175.32 3kqx h PRO 106 N 1.13 0.00 -0.28 3.99 0.11 -2.01 0.77 132.00 135.71 3kqx h PRO 106 Ca -0.48 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3kqx h PRO 106 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3kqx h PRO 106 CO 0.58 0.00 0.11 0.82 -0.21 0.00 0.00 178.00 179.29 3kqx h ILE 107 N 0.00 1.12 0.00 4.15 1.08 -1.94 -2.09 117.51 119.82 3kqx h ILE 107 Ca 0.14 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 3kqx h ILE 107 Cb 0.68 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 3kqx h ILE 107 CO -0.00 0.14 0.00 1.41 -0.69 0.00 0.00 178.15 179.01 3kqx n HIS 108 N -4.42 0.85 1.08 1.37 8.25 0.26 -2.59 115.22 120.02 3kqx n HIS 108 Ca 0.01 0.35 0.12 0.00 -0.26 0.00 0.00 57.72 57.95 3kqx n HIS 108 Cb 0.13 -1.07 0.30 0.00 1.12 0.00 0.00 29.99 30.47 3kqx n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kqx n ASP 109 N -2.29 0.63 -4.66 0.41 8.00 -0.79 -4.91 116.55 112.94 3kqx n ASP 109 Ca 0.01 -0.42 -0.43 0.00 0.71 0.00 0.00 54.79 54.67 3kqx n ASP 109 Cb 0.19 0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 3kqx n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqx s ILE 110 N -2.85 4.14 -0.20 0.53 1.01 -1.07 -4.82 121.20 117.94 3kqx s ILE 110 Ca 0.15 1.38 -0.23 0.00 0.00 0.00 0.00 60.65 61.95 3kqx s ILE 110 Cb 0.18 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3kqx s ILE 110 CO 0.64 -0.12 0.75 -0.54 0.00 0.00 0.00 174.94 175.67 3kqx s LYS 111 N 3.55 4.23 -0.16 2.79 1.02 -0.00 -4.92 119.74 126.24 3kqx s LYS 111 Ca 0.58 0.83 -0.05 0.00 0.02 0.00 0.00 55.97 57.35 3kqx s LYS 111 Cb -0.24 -3.60 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3kqx s LYS 111 CO 0.18 -0.35 0.01 0.08 -0.92 0.00 0.00 175.35 174.35 3kqx s VAL 112 N 2.25 4.36 -0.02 3.17 1.01 -1.26 -0.64 120.40 129.27 3kqx s VAL 112 Ca 0.33 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.16 3kqx s VAL 112 Cb -0.16 -2.93 -0.01 0.00 0.00 0.00 0.00 36.38 33.29 3kqx s VAL 112 CO 0.10 0.50 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 3kqx s GLN 113 N 0.19 1.31 -0.15 2.72 -0.21 -0.15 -4.98 119.66 118.39 3kqx s GLN 113 Ca 0.01 -0.53 0.01 0.00 0.02 0.00 0.00 55.36 54.88 3kqx s GLN 113 Cb -0.13 -1.23 0.00 0.00 1.00 0.00 0.00 33.01 32.66 3kqx s GLN 113 CO 0.02 0.28 -0.18 0.08 -2.12 0.00 0.00 175.29 173.37 3kqx s VAL 114 N -0.21 2.39 0.20 1.09 1.01 -1.26 -0.82 120.40 122.80 3kqx s VAL 114 Ca 0.03 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.26 3kqx s VAL 114 Cb -0.07 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3kqx s VAL 114 CO 0.00 0.53 -0.21 -0.31 0.00 0.00 0.00 175.10 175.11 3kqx s TYR 115 N 0.86 2.37 0.04 5.22 1.51 0.86 -4.89 117.35 123.31 3kqx s TYR 115 Ca -0.05 -0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 3kqx s TYR 115 Cb -0.15 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.49 3kqx s TYR 115 CO -0.02 0.52 1.10 0.34 -1.11 0.00 0.00 175.55 176.38 3kqx s ASP 116 N -2.77 7.22 0.57 2.29 -1.08 -1.26 -2.03 116.67 119.61 3kqx s ASP 116 Ca 0.22 1.87 0.27 0.00 -0.52 0.00 0.00 52.55 54.39 3kqx s ASP 116 Cb -0.08 -2.58 1.67 0.00 -1.46 0.00 0.00 42.92 40.48 3kqx s ASP 116 CO 0.11 -0.36 2.20 -0.29 0.52 0.00 0.00 175.17 177.36 3kqx h ILE 117 N 4.57 0.61 0.00 4.11 2.10 -1.65 -2.83 117.51 124.42 3kqx h ILE 117 Ca -0.42 -0.12 -0.00 0.00 1.08 0.00 0.00 64.86 65.40 3kqx h ILE 117 Cb 1.22 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 38.02 3kqx h ILE 117 CO 0.78 0.03 -0.01 0.11 -1.08 0.00 0.00 178.15 177.98 3kqx h LYS 118 N 0.00 0.00 -0.00 2.19 1.57 -1.91 -1.73 116.57 116.68 3kqx h LYS 118 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqx h LYS 118 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 3kqx h LYS 118 CO 0.00 0.01 -0.03 0.41 -0.57 0.00 0.00 179.45 179.27 3kqx n GLY 119 N -0.43 -0.90 0.16 3.86 0.00 -1.07 -5.05 105.19 101.77 3kqx n GLY 119 Ca -0.01 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3kqx n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqx n GLY 120 N 1.16 -1.69 3.25 -0.02 0.00 -0.65 -5.00 105.19 102.24 3kqx n GLY 120 Ca 0.19 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.08 6.43 -0.14 0.00 3.84 -1.26 -1.81 114.94 121.91 3kqx s ASN 122 Ca -0.05 0.01 0.18 0.00 0.21 0.00 0.00 52.86 53.21 3kqx s ASN 122 Cb -0.14 -2.36 0.35 0.00 -0.55 0.00 0.00 41.25 38.54 3kqx s ASN 122 CO 0.04 -0.79 1.22 1.33 -2.79 0.00 0.00 177.10 176.11 3kqx n VAL 123 N 5.90 1.99 0.56 -5.21 0.24 -1.26 -4.78 118.33 115.77 3kqx n VAL 123 Ca 0.01 -2.21 0.13 0.00 -2.04 0.00 0.00 64.34 60.23 3kqx n VAL 123 Cb 0.48 -0.24 0.44 0.00 -1.47 0.00 0.00 33.84 33.05 3kqx n VAL 123 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3kqx n GLU 124 N -1.22 0.23 -4.38 7.34 0.28 -1.26 -4.75 120.64 116.87 3kqx n GLU 124 Ca 0.17 0.28 -0.20 0.00 -0.16 0.00 0.00 57.16 57.25 3kqx n GLU 124 Cb 0.70 -1.82 -0.16 0.00 1.43 0.00 0.00 31.44 31.60 3kqx n GLU 124 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 3kqx s GLU 125 N -3.17 0.97 1.99 3.44 2.12 -1.26 -4.92 118.70 117.87 3kqx s GLU 125 Ca 0.09 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.12 3kqx s GLU 125 Cb 0.11 -0.91 0.00 0.00 0.26 0.00 0.00 34.13 33.60 3kqx s GLU 125 CO 0.53 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 3kqx n GLY 126 N 3.36 -1.49 3.66 -1.50 0.00 -1.26 -4.81 105.19 103.15 3kqx n GLY 126 Ca -0.19 -1.31 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 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 4.15 -0.14 0.99 2.96 -0.75 -2.25 118.68 123.65 3kqx s LEU 127 Ca 0.00 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 3kqx s LEU 127 Cb 0.00 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 3kqx s LEU 127 CO 0.00 -0.21 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.77 3kqx s THR 128 N 1.70 2.70 -0.12 3.68 2.01 0.22 -0.52 115.64 125.30 3kqx s THR 128 Ca 0.26 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.51 3kqx s THR 128 Cb -0.16 -2.12 0.01 0.00 0.01 0.00 0.00 72.50 70.24 3kqx s THR 128 CO 0.10 0.52 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.75 3kqx s ILE 129 N 0.61 1.66 -0.16 1.82 -1.09 0.39 -0.98 121.20 123.44 3kqx s ILE 129 Ca -0.09 -0.74 -0.15 0.00 -2.23 0.00 0.00 60.65 57.44 3kqx s ILE 129 Cb -0.16 -1.50 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 3kqx s ILE 129 CO 0.03 0.47 0.35 -0.36 -1.23 0.00 0.00 174.94 174.20 3kqx s PHE 130 N 0.95 3.45 -0.31 3.97 0.40 -0.61 -0.61 117.98 125.23 3kqx s PHE 130 Ca -0.06 0.65 -0.20 0.00 -0.60 0.00 0.00 56.93 56.72 3kqx s PHE 130 Cb -0.15 -2.42 -0.01 0.00 0.51 0.00 0.00 43.02 40.95 3kqx s PHE 130 CO -0.02 0.16 0.60 -0.51 0.70 0.00 0.00 175.22 176.15 3kqx s LEU 131 N 0.70 4.16 0.04 -0.37 1.43 0.17 -1.58 118.68 123.23 3kqx s LEU 131 Ca 0.19 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 3kqx s LEU 131 Cb -0.14 -2.77 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3kqx s LEU 131 CO 0.06 -0.46 -0.12 0.68 0.23 0.00 0.00 176.35 176.74 3kqx s VAL 132 N 2.55 0.93 0.42 -1.59 -7.23 -1.04 -1.63 120.40 112.81 3kqx s VAL 132 Ca 0.24 -1.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.45 3kqx s VAL 132 Cb -0.15 -0.88 -0.02 0.00 0.56 0.00 0.00 36.38 35.89 3kqx s VAL 132 CO 0.12 -0.11 0.17 0.54 -0.31 0.00 0.00 175.10 175.51 3kqx s ASN 133 N -1.25 2.76 -0.38 4.85 2.20 -1.26 -0.04 114.94 121.83 3kqx s ASN 133 Ca -0.01 -1.75 0.03 0.00 -0.94 0.00 0.00 52.86 50.19 3kqx s ASN 133 Cb -0.08 0.61 0.16 0.00 -2.00 0.00 0.00 41.25 39.94 3kqx s ASN 133 CO 0.01 -1.01 0.39 0.21 -2.94 0.00 0.00 177.10 173.76 3kqx s ASN 134 N -3.60 1.09 0.19 3.54 3.84 -0.83 -4.80 114.94 114.37 3kqx s ASN 134 Ca 0.24 -1.68 -0.31 0.00 0.21 0.00 0.00 52.86 51.32 3kqx s ASN 134 Cb 0.01 0.56 -0.10 0.00 -0.55 0.00 0.00 41.25 41.17 3kqx s ASN 134 CO 0.17 -0.24 1.58 -2.84 -2.79 0.00 0.00 177.10 172.97 3kqx s PRO 135 N 1.32 4.20 0.00 0.43 0.02 -1.26 -2.41 135.00 137.30 3kqx s PRO 135 Ca 0.18 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3kqx s PRO 135 Cb -0.14 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.25 3kqx s PRO 135 CO -0.03 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3kqx n GLY 136 N 3.52 2.69 3.37 0.52 0.00 -1.07 -4.95 105.19 109.28 3kqx n GLY 136 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.02 3.50 0.05 1.61 -2.85 -1.01 -5.04 119.74 115.98 3kqx s LYS 137 Ca 0.00 -2.05 -0.34 0.00 -1.00 0.00 0.00 55.97 52.58 3kqx s LYS 137 Cb 0.00 -4.56 -0.13 0.00 -2.06 0.00 0.00 37.83 31.08 3kqx s LYS 137 CO 0.00 -1.48 1.67 0.39 0.10 0.00 0.00 175.35 176.03 3kqx n GLU 138 N 5.18 2.04 -2.95 1.78 4.71 -1.26 -0.90 120.64 129.25 3kqx n GLU 138 Ca 0.13 0.74 -0.21 0.00 -0.01 0.00 0.00 57.16 57.80 3kqx n GLU 138 Cb 0.47 -2.52 0.01 0.00 -1.01 0.00 0.00 31.44 28.39 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 4.52 -5.18 -4.68 1.62 5.03 -1.26 -4.95 115.26 110.37 3kqx n ASN 139 Ca 0.19 -0.21 -0.29 0.00 0.87 0.00 0.00 54.58 55.14 3kqx n ASN 139 Cb 0.28 -4.25 0.17 0.00 -1.02 0.00 0.00 39.78 34.96 3kqx n ASN 139 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3kqx s GLY 140 N -2.53 1.58 0.59 7.41 0.00 -0.07 -4.53 107.32 109.78 3kqx s GLY 140 Ca 0.25 -0.23 -0.18 0.00 0.00 0.00 0.00 44.72 44.56 3kqx s GLY 140 CO 0.30 0.35 1.13 2.56 0.00 0.00 0.00 173.10 177.44 3kqx s PRO 141 N -4.91 3.12 0.20 2.90 0.04 -1.26 -1.42 135.00 133.67 3kqx s PRO 141 Ca 0.65 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.93 3kqx s PRO 141 Cb -0.19 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.29 3kqx s PRO 141 CO 0.58 -1.02 1.06 0.08 0.04 0.00 0.00 177.00 177.73 3kqx s VAL 142 N -1.98 3.92 -0.03 -0.36 1.01 -0.48 -4.68 120.40 117.80 3kqx s VAL 142 Ca 0.71 1.73 -0.00 0.00 0.00 0.00 0.00 61.98 64.41 3kqx s VAL 142 Cb -0.23 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.08 3kqx s VAL 142 CO 0.33 0.33 0.02 -0.75 0.00 0.00 0.00 175.10 175.02 3kqx s LYS 143 N -0.62 0.19 -0.21 2.72 2.20 -1.26 -3.48 119.74 119.28 3kqx s LYS 143 Ca 0.47 0.16 -0.06 0.00 -0.36 0.00 0.00 55.97 56.18 3kqx s LYS 143 Cb -0.28 -0.48 -0.03 0.00 -1.51 0.00 0.00 37.83 35.53 3kqx s LYS 143 CO 0.35 -0.19 0.03 0.42 -0.36 0.00 0.00 175.35 175.59 3kqx s ILE 144 N 1.32 4.15 -0.13 5.43 -1.09 -1.26 -4.92 121.20 124.71 3kqx s ILE 144 Ca -0.06 -0.24 0.19 0.00 -2.23 0.00 0.00 60.65 58.31 3kqx s ILE 144 Cb -0.13 -2.89 -0.23 0.00 -1.58 0.00 0.00 42.46 37.62 3kqx s ILE 144 CO -0.03 0.41 0.46 -1.20 -1.23 0.00 0.00 174.94 173.35 3kqx n SER 145 N 4.33 0.31 -4.76 3.58 7.64 -1.26 -4.96 113.62 118.51 3kqx n SER 145 Ca -0.17 0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 3kqx n SER 145 Cb 0.52 0.97 -0.01 0.00 -1.01 0.00 0.00 64.21 64.67 3kqx n SER 145 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3kqx s SER 146 N -5.33 6.45 0.32 6.43 0.01 -1.26 -4.96 113.70 115.35 3kqx s SER 146 Ca -0.07 2.92 -0.28 0.00 1.31 0.00 0.00 55.95 59.83 3kqx s SER 146 Cb 0.09 -2.65 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 3kqx s SER 146 CO 0.84 -0.83 1.15 -0.75 0.41 0.00 0.00 173.24 174.07 3kqx s LYS 147 N -1.18 4.44 0.12 12.44 2.20 -1.26 -4.92 119.74 131.58 3kqx s LYS 147 Ca 0.57 1.87 0.08 0.00 -0.36 0.00 0.00 55.97 58.14 3kqx s LYS 147 Cb -0.46 -3.02 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3kqx s LYS 147 CO 0.53 0.01 -0.20 0.14 -0.36 0.00 0.00 175.35 175.47 3kqx s VAL 148 N -1.24 1.76 -0.47 4.02 -7.23 -1.26 -0.40 120.40 115.58 3kqx s VAL 148 Ca 0.49 -1.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 3kqx s VAL 148 Cb -0.32 -1.65 0.45 0.00 0.56 0.00 0.00 36.38 35.42 3kqx s VAL 148 CO 0.42 -0.12 1.91 -0.46 -0.31 0.00 0.00 175.10 176.54 3kqx n ASN 149 N 0.88 5.70 -3.73 4.85 2.04 -0.75 -4.80 115.26 119.45 3kqx n ASN 149 Ca -0.18 -3.44 -0.14 0.00 -0.44 0.00 0.00 54.58 50.38 3kqx n ASN 149 Cb 0.54 -0.91 -0.14 0.00 -2.53 0.00 0.00 39.78 36.74 3kqx n ASN 149 CO 0.00 0.00 0.00 -0.62 -0.44 0.00 0.00 177.26 176.20 3kqx s ASP 150 N -1.03 -0.02 0.15 0.53 2.15 -1.26 -4.86 116.67 112.33 3kqx s ASP 150 Ca 0.50 0.38 -0.09 0.00 0.43 0.00 0.00 52.55 53.77 3kqx s ASP 150 Cb 0.41 0.29 -0.01 0.00 -0.30 0.00 0.00 42.92 43.31 3kqx s ASP 150 CO 0.03 -0.17 1.48 0.07 -0.17 0.00 0.00 175.17 176.41 3kqx h LYS 151 N 7.43 0.87 0.16 4.34 2.10 -1.98 -0.35 116.57 129.13 3kqx h LYS 151 Ca -0.37 -0.48 -0.01 0.00 -2.00 0.00 0.00 60.65 57.80 3kqx h LYS 151 Cb 1.14 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3kqx h LYS 151 CO 0.36 1.12 -0.08 1.96 -2.00 0.00 0.00 179.45 180.81 3kqx h GLN 152 N 0.70 -0.20 -0.72 0.07 1.08 -1.92 -1.88 115.11 112.25 3kqx h GLN 152 Ca 0.05 0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3kqx h GLN 152 Cb 1.01 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.45 3kqx h GLN 152 CO 0.10 0.00 0.32 0.28 -0.95 0.00 0.00 178.83 178.58 3kqx h VAL 153 N -0.38 1.24 -0.69 -0.54 2.07 -1.86 -2.22 116.25 113.86 3kqx h VAL 153 Ca -0.02 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.82 3kqx h VAL 153 Cb 0.30 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.37 3kqx h VAL 153 CO 0.04 0.29 0.44 -1.28 0.02 0.00 0.00 177.57 177.08 3kqx h SER 154 N 1.03 0.74 -0.26 0.57 0.87 -0.95 -0.36 113.55 115.19 3kqx h SER 154 Ca 0.25 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.82 3kqx h SER 154 Cb 0.15 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 3kqx h SER 154 CO -0.03 0.53 0.11 -0.08 -0.53 0.00 0.00 176.83 176.83 3kqx h GLU 155 N 0.88 0.24 -0.93 2.24 4.57 -0.89 -2.71 114.58 117.98 3kqx h GLU 155 Ca 0.27 -0.01 0.09 0.00 -1.18 0.00 0.00 59.36 58.52 3kqx h GLU 155 Cb -0.03 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.43 3kqx h GLU 155 CO -0.09 0.16 0.60 0.35 -1.18 0.00 0.00 179.01 178.86 3kqx h PHE 156 N 0.25 1.05 -0.19 0.92 3.57 -0.78 -2.57 116.94 119.19 3kqx h PHE 156 Ca 0.11 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3kqx h PHE 156 Cb 0.05 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.45 3kqx h PHE 156 CO -0.11 0.49 0.00 1.28 -2.23 0.00 0.00 178.31 177.75 3kqx n LEU 157 N -4.53 1.25 -4.76 0.59 4.77 -0.21 -4.54 117.00 109.56 3kqx n LEU 157 Ca 0.16 -0.58 -0.32 0.00 -0.03 0.00 0.00 56.01 55.23 3kqx n LEU 157 Cb 0.27 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 3kqx n LEU 157 CO 0.31 0.29 0.73 -1.59 -1.33 0.00 0.00 177.39 175.80 3kqx s LYS 158 N -1.76 2.53 0.23 3.23 -2.85 -0.97 -4.60 119.74 115.55 3kqx s LYS 158 Ca 0.23 1.37 -0.07 0.00 -1.00 0.00 0.00 55.97 56.50 3kqx s LYS 158 Cb 0.12 -1.92 0.24 0.00 -2.06 0.00 0.00 37.83 34.22 3kqx s LYS 158 CO 0.18 -1.46 1.89 -0.44 0.10 0.00 0.00 175.35 175.62 3kqx h ASP 159 N -0.39 0.98 -0.70 0.03 3.32 -1.91 -1.62 116.42 116.13 3kqx h ASP 159 Ca -0.46 -0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.64 3kqx h ASP 159 Cb 1.25 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.52 3kqx h ASP 159 CO 0.52 0.69 0.46 -0.33 -1.72 0.00 0.00 179.24 178.87 3kqx h GLU 160 N 1.16 0.69 0.01 3.56 3.07 -1.96 -0.22 114.58 120.88 3kqx h GLU 160 Ca 0.34 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.13 3kqx h GLU 160 Cb -0.06 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 27.69 3kqx h GLU 160 CO -0.10 0.46 -0.11 -0.97 -1.40 0.00 0.00 179.01 176.89 3kqx h ASN 161 N 0.71 0.09 0.61 1.42 -1.24 -1.62 -3.38 115.58 112.17 3kqx h ASN 161 Ca 0.31 -0.85 -0.06 0.00 0.71 0.00 0.00 56.30 56.40 3kqx h ASN 161 Cb 0.28 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 3kqx h ASN 161 CO -0.10 0.93 -0.31 0.24 -1.29 0.00 0.00 177.43 176.90 3kqx h MET 162 N -0.74 0.00 0.00 6.67 2.86 -0.99 -2.56 114.93 120.17 3kqx h MET 162 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kqx h MET 162 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 3kqx h MET 162 CO 0.02 0.31 0.00 -0.85 1.06 0.00 0.00 176.91 177.45 3kqx n GLU 163 N -3.69 0.01 0.21 1.72 0.28 -0.13 -0.63 120.64 118.41 3kqx n GLU 163 Ca -0.01 0.30 0.15 0.00 -0.16 0.00 0.00 57.16 57.44 3kqx n GLU 163 Cb 0.41 -1.50 0.70 0.00 1.43 0.00 0.00 31.44 32.48 3kqx n GLU 163 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 3kqx h LYS 164 N 0.00 0.00 -6.28 3.44 1.57 -1.67 -3.44 116.57 110.19 3kqx h LYS 164 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3kqx h LYS 164 Cb 0.19 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.39 3kqx h LYS 164 CO 0.00 0.00 -0.66 -0.06 -0.57 0.00 0.00 179.45 178.16 3kqx s PHE 165 N -3.61 2.72 0.29 -1.35 0.40 0.19 -5.06 117.98 111.57 3kqx s PHE 165 Ca 0.00 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 3kqx s PHE 165 Cb 0.09 -1.26 -0.06 0.00 0.51 0.00 0.00 43.02 42.31 3kqx s PHE 165 CO 0.38 0.57 -0.06 0.54 0.70 0.00 0.00 175.22 177.36 3kqx s ASN 166 N -3.35 2.85 0.00 1.36 2.20 -1.26 -1.38 114.94 115.36 3kqx s ASN 166 Ca 0.29 -1.19 0.18 0.00 -0.94 0.00 0.00 52.86 51.20 3kqx s ASN 166 Cb -0.08 -0.18 0.51 0.00 -2.00 0.00 0.00 41.25 39.50 3kqx s ASN 166 CO 0.19 -0.33 1.43 1.33 -2.94 0.00 0.00 177.10 176.77 3kqx n VAL 167 N -0.61 0.73 -1.61 3.54 0.24 -0.51 -4.72 118.33 115.40 3kqx n VAL 167 Ca -0.05 -0.75 -0.47 0.00 -2.04 0.00 0.00 64.34 61.02 3kqx n VAL 167 Cb 0.63 0.42 -0.04 0.00 -1.47 0.00 0.00 33.84 33.39 3kqx n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqx n LYS 168 N 1.17 1.44 -1.64 7.34 4.81 -1.26 -0.67 118.16 129.35 3kqx n LYS 168 Ca 0.19 0.51 -0.51 0.00 -0.87 0.00 0.00 58.31 57.63 3kqx n LYS 168 Cb 0.49 -2.06 -0.06 0.00 0.02 0.00 0.00 35.03 33.43 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 2.04 2.36 0.00 3.14 7.94 -1.26 -0.88 117.00 130.34 3kqx n LEU 169 Ca 0.14 1.09 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 3kqx n LEU 169 Cb 0.27 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 42.95 3kqx n LEU 169 CO 0.61 -0.63 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 3kqx n GLY 170 N 3.26 2.32 3.77 -3.96 0.00 -0.18 -4.96 105.19 105.43 3kqx n GLY 170 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 3kqx n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqx s THR 171 N -2.62 2.99 0.03 2.61 2.01 -0.06 -4.75 115.64 115.86 3kqx s THR 171 Ca 0.00 0.92 -0.09 0.00 0.31 0.00 0.00 61.69 62.83 3kqx s THR 171 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.95 3kqx s THR 171 CO 0.00 0.17 0.18 -0.94 -0.69 0.00 0.00 174.62 173.33 3kqx s SER 172 N -0.81 0.04 0.02 3.53 1.04 -1.26 -0.52 113.70 115.73 3kqx s SER 172 Ca 0.52 -0.33 -0.01 0.00 0.48 0.00 0.00 55.95 56.60 3kqx s SER 172 Cb -0.35 0.27 -0.02 0.00 0.10 0.00 0.00 66.02 66.02 3kqx s SER 172 CO 0.45 -0.51 -0.00 -0.54 0.98 0.00 0.00 173.24 173.62 3kqx s LYS 173 N -2.29 0.32 -0.07 4.02 -0.14 -1.15 -5.01 119.74 115.41 3kqx s LYS 173 Ca -0.07 -0.54 -0.18 0.00 -1.36 0.00 0.00 55.97 53.81 3kqx s LYS 173 Cb -0.02 0.12 0.04 0.00 -1.68 0.00 0.00 37.83 36.28 3kqx s LYS 173 CO -0.03 -0.06 0.42 -3.38 -0.76 0.00 0.00 175.35 171.55 3kqx s HIS 174 N -1.37 -0.36 -0.04 3.18 -3.43 -1.26 -1.81 115.29 110.19 3kqx s HIS 174 Ca -0.15 0.71 0.02 0.00 -0.80 0.00 0.00 55.06 54.84 3kqx s HIS 174 Cb -0.09 0.18 0.01 0.00 -1.43 0.00 0.00 32.58 31.25 3kqx s HIS 174 CO -0.01 -0.39 -0.09 -0.06 -2.00 0.00 0.00 174.74 172.20 3kqx s PHE 175 N -0.84 1.07 0.16 0.38 0.40 -0.16 -4.94 117.98 114.04 3kqx s PHE 175 Ca -0.09 -0.32 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 3kqx s PHE 175 Cb -0.04 -0.80 -0.07 0.00 0.51 0.00 0.00 43.02 42.62 3kqx s PHE 175 CO 0.04 -0.17 1.11 0.71 0.70 0.00 0.00 175.22 177.61 3kqx s TYR 176 N 0.50 3.58 0.25 0.36 1.51 -1.26 -0.87 117.35 121.41 3kqx s TYR 176 Ca -0.09 1.57 -0.10 0.00 -1.01 0.00 0.00 57.07 57.45 3kqx s TYR 176 Cb -0.12 -3.29 -0.01 0.00 -0.11 0.00 0.00 41.96 38.43 3kqx s TYR 176 CO 0.01 -0.67 0.43 0.00 -1.11 0.00 0.00 175.55 174.21 3kqx s MET 177 N -0.21 1.54 -0.12 -0.62 0.23 -0.33 -5.00 119.30 114.80 3kqx s MET 177 Ca 0.50 -1.37 -0.10 0.00 -1.03 0.00 0.00 55.69 53.69 3kqx s MET 177 Cb -0.29 0.44 -0.05 0.00 -1.53 0.00 0.00 34.83 33.40 3kqx s MET 177 CO 0.34 -0.62 0.22 -0.06 -2.03 0.00 0.00 175.02 172.86 3kqx s PHE 178 N -3.91 3.56 0.45 3.16 0.08 -1.26 -0.44 117.98 119.62 3kqx s PHE 178 Ca 0.26 0.59 -0.05 0.00 0.12 0.00 0.00 56.93 57.85 3kqx s PHE 178 Cb 0.01 -2.12 0.10 0.00 -0.57 0.00 0.00 43.02 40.43 3kqx s PHE 178 CO 0.11 0.54 0.62 0.27 -0.10 0.00 0.00 175.22 176.65 3kqx n ASN 179 N 2.55 0.35 0.16 1.36 0.23 -0.04 -4.80 115.26 115.08 3kqx n ASN 179 Ca -0.17 -1.41 0.19 0.00 -0.53 0.00 0.00 54.58 52.66 3kqx n ASN 179 Cb 0.53 -0.44 0.78 0.00 -2.08 0.00 0.00 39.78 38.57 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 -0.64 0.00 -0.69 0.53 3.32 -1.95 -0.06 116.42 116.93 3kqx h ASP 180 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3kqx h ASP 180 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 3kqx h ASP 180 CO 0.17 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.28 3kqx n ASN 181 N -3.63 3.87 -1.04 6.45 3.02 -1.26 -4.93 115.26 117.74 3kqx n ASN 181 Ca 0.04 -2.00 -0.11 0.00 -0.03 0.00 0.00 54.58 52.49 3kqx n ASN 181 Cb 0.51 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.19 3kqx n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kqx n LYS 182 N 1.57 -0.82 -3.68 3.52 4.01 -0.03 -5.00 118.16 117.72 3kqx n LYS 182 Ca 0.23 0.73 -0.34 0.00 -0.51 0.00 0.00 58.31 58.42 3kqx n LYS 182 Cb 0.61 -4.76 -0.05 0.00 -0.51 0.00 0.00 35.03 30.31 3kqx n LYS 182 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3kqx s ASN 183 N -2.71 6.54 -0.06 4.39 0.02 -1.26 -4.81 114.94 117.05 3kqx s ASN 183 Ca 0.00 0.64 -0.30 0.00 -1.02 0.00 0.00 52.86 52.18 3kqx s ASN 183 Cb 0.00 -2.12 -0.04 0.00 0.02 0.00 0.00 41.25 39.11 3kqx s ASN 183 CO 0.00 0.17 1.45 -0.55 0.02 0.00 0.00 177.10 178.19 3kqx s SER 184 N -1.96 6.81 0.36 -1.22 0.15 -1.26 -0.86 113.70 115.73 3kqx s SER 184 Ca 0.33 2.05 0.04 0.00 0.70 0.00 0.00 55.95 59.07 3kqx s SER 184 Cb -0.13 -2.55 -0.06 0.00 -1.71 0.00 0.00 66.02 61.58 3kqx s SER 184 CO 0.20 -0.80 0.06 0.68 1.20 0.00 0.00 173.24 174.57 3kqx s VAL 185 N 3.25 1.21 0.02 4.45 -7.23 0.42 -4.44 120.40 118.08 3kqx s VAL 185 Ca 0.65 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 3kqx s VAL 185 Cb -0.30 -2.72 -0.01 0.00 0.56 0.00 0.00 36.38 33.91 3kqx s VAL 185 CO 0.24 0.00 -0.07 0.00 -0.31 0.00 0.00 175.10 174.96 3kqx s ALA 186 N -3.19 0.57 0.01 1.32 0.00 -0.95 -1.18 121.76 118.33 3kqx s ALA 186 Ca 0.33 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 51.82 3kqx s ALA 186 Cb 0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3kqx s ALA 186 CO 0.15 0.07 -0.06 0.08 0.00 0.00 0.00 175.76 176.00 3kqx s VAL 187 N -0.66 0.45 0.00 0.00 1.01 -0.05 -0.61 120.40 120.54 3kqx s VAL 187 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3kqx s VAL 187 Cb -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.91 3kqx s VAL 187 CO 0.00 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3kqx n GLY 188 N 2.65 2.53 3.43 4.51 0.00 -0.15 -0.99 105.19 117.17 3kqx n GLY 188 Ca -0.15 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.35 0.07 -0.05 1.61 1.13 -0.75 -1.57 117.35 115.44 3kqx s TYR 189 Ca 0.00 -0.42 0.03 0.00 -1.41 0.00 0.00 57.07 55.27 3kqx s TYR 189 Cb 0.00 0.21 0.00 0.00 -1.10 0.00 0.00 41.96 41.07 3kqx s TYR 189 CO 0.00 -0.82 -0.14 0.08 -2.51 0.00 0.00 175.55 172.16 3kqx s VAL 190 N -3.90 1.23 0.12 -3.49 1.01 -0.62 -2.95 120.40 111.81 3kqx s VAL 190 Ca 0.11 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 3kqx s VAL 190 Cb 0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.25 3kqx s VAL 190 CO -0.03 0.37 1.04 -0.83 0.00 0.00 0.00 175.10 175.65 3kqx s GLY 191 N 0.26 2.87 -0.12 4.51 0.00 0.33 -2.49 107.32 112.68 3kqx s GLY 191 Ca -0.07 0.69 0.15 0.00 0.00 0.00 0.00 44.72 45.48 3kqx s GLY 191 CO 0.02 1.62 1.36 0.00 0.00 0.00 0.00 173.10 176.10 3kqx n GLY 193 N -0.19 -0.20 0.18 0.00 0.00 0.16 -4.42 105.19 100.72 3kqx n GLY 193 Ca 0.18 -1.02 0.06 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.16 1.56 -4.28 1.61 3.41 -1.26 -1.95 113.62 112.55 3kqx n SER 194 Ca 0.00 -2.60 -0.33 0.00 -0.26 0.00 0.00 58.87 55.68 3kqx n SER 194 Cb 0.00 -0.31 -0.15 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.78 2.74 0.35 -3.33 1.01 -1.26 -2.61 120.40 115.53 3kqx s VAL 195 Ca 0.19 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.45 3kqx s VAL 195 Cb 0.16 -2.16 0.24 0.00 0.00 0.00 0.00 36.38 34.62 3kqx s VAL 195 CO 0.02 0.51 1.98 0.00 0.00 0.00 0.00 175.10 177.61 3kqx h ALA 196 N 7.28 1.51 -1.76 5.51 0.00 -1.93 -3.37 119.26 126.49 3kqx h ALA 196 Ca -0.32 -0.08 -0.60 0.00 0.00 0.00 0.00 54.91 53.91 3kqx h ALA 196 Cb 1.19 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 3kqx h ALA 196 CO 0.57 0.41 0.65 -0.51 0.00 0.00 0.00 179.25 180.37 3kqx s ASP 197 N -6.56 6.36 0.11 0.00 1.11 -1.26 -4.67 116.67 111.76 3kqx s ASP 197 Ca -0.09 -0.27 -0.30 0.00 0.18 0.00 0.00 52.55 52.06 3kqx s ASP 197 Cb 0.17 -2.46 -0.06 0.00 1.07 0.00 0.00 42.92 41.64 3kqx s ASP 197 CO 0.76 -1.28 1.05 -0.76 1.18 0.00 0.00 175.17 176.12 3kqx s LEU 198 N 4.15 4.46 0.69 1.23 2.01 -1.26 -5.06 118.68 124.89 3kqx s LEU 198 Ca 0.33 1.91 -0.09 0.00 0.01 0.00 0.00 54.13 56.29 3kqx s LEU 198 Cb -0.12 -3.59 0.03 0.00 0.01 0.00 0.00 46.19 42.53 3kqx s LEU 198 CO 0.20 -0.21 1.03 -0.94 1.01 0.00 0.00 176.35 177.44 3kqx s SER 199 N 0.27 5.22 0.17 2.29 1.04 -1.26 -4.91 113.70 116.53 3kqx s SER 199 Ca 0.50 0.82 -0.16 0.00 0.48 0.00 0.00 55.95 57.59 3kqx s SER 199 Cb -0.26 -1.60 0.12 0.00 0.10 0.00 0.00 66.02 64.38 3kqx s SER 199 CO 0.31 -1.39 1.68 -0.08 0.98 0.00 0.00 173.24 174.74 3kqx h GLU 200 N -0.56 0.05 -0.52 4.02 4.22 -1.97 0.18 114.58 120.01 3kqx h GLU 200 Ca -0.45 -0.00 0.03 0.00 0.08 0.00 0.00 59.36 59.02 3kqx h GLU 200 Cb 1.28 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.48 3kqx h GLU 200 CO 0.63 0.03 0.29 0.00 -2.18 0.00 0.00 179.01 177.78 3kqx h ALA 201 N 1.40 0.66 -0.60 2.92 0.00 -1.95 0.56 119.26 122.26 3kqx h ALA 201 Ca 0.21 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.17 3kqx h ALA 201 Cb 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3kqx h ALA 201 CO -0.40 -0.02 0.33 -0.44 0.00 0.00 0.00 179.25 178.72 3kqx h ASP 202 N 0.58 0.49 -0.70 0.00 3.32 -1.85 -2.31 116.42 115.96 3kqx h ASP 202 Ca 0.22 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3kqx h ASP 202 Cb 0.06 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3kqx h ASP 202 CO -0.12 0.32 0.15 -0.03 -1.72 0.00 0.00 179.24 177.85 3kqx h MET 203 N 0.62 1.13 -0.59 3.56 4.05 -0.21 -2.47 114.93 121.02 3kqx h MET 203 Ca 0.26 -0.28 0.09 0.00 -0.28 0.00 0.00 59.70 59.50 3kqx h MET 203 Cb 0.15 -0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 30.73 3kqx h MET 203 CO -0.16 1.01 0.20 0.87 0.23 0.00 0.00 176.91 179.05 3kqx h LYS 204 N 1.06 0.35 -0.86 0.39 6.56 -0.66 -0.80 116.57 122.60 3kqx h LYS 204 Ca 0.22 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.77 3kqx h LYS 204 Cb 0.40 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 31.94 3kqx h LYS 204 CO 0.01 0.23 0.46 0.00 -2.06 0.00 0.00 179.45 178.09 3kqx h ARG 205 N 0.36 1.21 -0.34 3.15 3.08 -1.07 0.44 114.38 121.21 3kqx h ARG 205 Ca 0.30 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.22 3kqx h ARG 205 Cb 0.38 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3kqx h ARG 205 CO -0.32 0.89 0.19 0.28 -1.07 0.00 0.00 179.97 179.94 3kqx h VAL 206 N 1.21 1.03 -0.36 2.04 2.07 -1.08 -2.21 116.25 118.94 3kqx h VAL 206 Ca 0.30 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.63 3kqx h VAL 206 Cb 0.04 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3kqx h VAL 206 CO -0.05 0.07 0.01 0.58 0.02 0.00 0.00 177.57 178.21 3kqx h VAL 207 N 0.40 1.25 -1.00 2.57 2.07 -0.66 -1.17 116.25 119.72 3kqx h VAL 207 Ca 0.13 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.80 3kqx h VAL 207 Cb 0.01 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 3kqx h VAL 207 CO -0.07 0.31 0.63 -0.07 0.02 0.00 0.00 177.57 178.40 3kqx h LEU 208 N 0.44 0.97 -0.51 2.57 4.07 -0.86 0.36 115.31 122.35 3kqx h LEU 208 Ca 0.10 0.03 -0.14 0.00 0.08 0.00 0.00 57.88 57.95 3kqx h LEU 208 Cb 0.43 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.99 3kqx h LEU 208 CO 0.02 0.58 -0.28 -1.28 -1.08 0.00 0.00 178.44 176.39 3kqx h SER 209 N 1.08 0.95 -0.53 -0.43 0.87 -0.89 -1.10 113.55 113.50 3kqx h SER 209 Ca 0.46 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 3kqx h SER 209 Cb 0.31 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3kqx h SER 209 CO -0.22 1.16 0.20 0.25 -0.53 0.00 0.00 176.83 177.70 3kqx h LEU 210 N 0.77 0.73 -1.37 2.23 5.85 -0.42 -2.92 115.31 120.19 3kqx h LEU 210 Ca 0.09 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 3kqx h LEU 210 Cb 0.85 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3kqx h LEU 210 CO 0.07 0.71 0.26 0.58 -0.34 0.00 0.00 178.44 179.73 3kqx h VAL 211 N 0.71 1.16 -0.72 1.05 2.07 -0.04 -1.90 116.25 118.58 3kqx h VAL 211 Ca 0.17 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3kqx h VAL 211 Cb 0.21 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3kqx h VAL 211 CO -0.01 0.18 0.42 0.74 0.02 0.00 0.00 177.57 178.92 3kqx h THR 212 N 0.70 1.00 -0.29 2.57 2.02 -1.01 0.12 112.91 118.03 3kqx h THR 212 Ca 0.18 -0.27 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3kqx h THR 212 Cb 0.04 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 3kqx h THR 212 CO -0.03 0.14 0.09 0.24 0.37 0.00 0.00 175.52 176.33 3kqx h MET 213 N 0.78 0.44 -0.99 6.66 2.07 -1.40 -3.15 114.93 119.34 3kqx h MET 213 Ca 0.31 -0.10 0.02 0.00 -2.07 0.00 0.00 59.70 57.87 3kqx h MET 213 Cb 0.16 -0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 29.78 3kqx h MET 213 CO -0.17 0.50 0.65 -0.07 1.07 0.00 0.00 176.91 178.89 3kqx h LEU 214 N 0.30 1.11 0.00 1.22 3.38 -0.72 -1.90 115.31 118.69 3kqx h LEU 214 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kqx h LEU 214 Cb 0.24 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kqx h LEU 214 CO -0.00 0.79 0.00 1.41 0.09 0.00 0.00 178.44 180.72 3kqx n HIS 215 N -4.41 0.00 -0.37 1.13 8.25 0.37 -1.47 115.22 118.72 3kqx n HIS 215 Ca 0.12 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.62 3kqx n HIS 215 Cb 0.05 -0.28 0.08 0.00 1.12 0.00 0.00 29.99 30.95 3kqx n HIS 215 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kqx n ASP 216 N -1.28 2.38 -4.57 0.41 -0.08 -0.74 -4.33 116.55 108.34 3kqx n ASP 216 Ca 0.05 -2.35 -0.33 0.00 -1.51 0.00 0.00 54.79 50.65 3kqx n ASP 216 Cb 0.09 -0.19 -0.11 0.00 2.34 0.00 0.00 41.12 43.25 3kqx n ASP 216 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 3kqx s ASN 217 N -1.54 4.50 0.00 1.67 2.47 -0.54 -4.79 114.94 116.70 3kqx s ASN 217 Ca 0.15 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.30 3kqx s ASN 217 Cb 0.12 -1.04 0.00 0.00 -1.45 0.00 0.00 41.25 38.87 3kqx s ASN 217 CO 0.04 0.31 0.64 0.29 -3.72 0.00 0.00 177.10 174.67 3kqx n LYS 218 N 1.87 0.70 -2.15 0.43 5.02 -1.26 -2.28 118.16 120.49 3kqx n LYS 218 Ca -0.16 -0.83 -0.38 0.00 -2.02 0.00 0.00 58.31 54.91 3kqx n LYS 218 Cb 0.53 -0.91 -0.01 0.00 -0.02 0.00 0.00 35.03 34.62 3kqx n LYS 218 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kqx s LEU 219 N -0.38 4.12 0.33 -0.35 1.43 -1.26 -4.78 118.68 117.79 3kqx s LEU 219 Ca 0.00 2.49 0.26 0.00 -1.03 0.00 0.00 54.13 55.85 3kqx s LEU 219 Cb 0.00 -4.06 0.89 0.00 0.03 0.00 0.00 46.19 43.05 3kqx s LEU 219 CO 0.00 -0.89 1.77 -1.28 0.23 0.00 0.00 176.35 176.18 3kqx h SER 220 N 2.39 0.00 -4.28 2.29 0.87 -1.94 -3.43 113.55 109.45 3kqx h SER 220 Ca -0.49 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 59.62 3kqx h SER 220 Cb 1.25 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.95 3kqx h SER 220 CO 0.61 0.00 -0.80 -0.75 -0.53 0.00 0.00 176.83 175.37 3kqx s LYS 221 N -3.30 0.96 -0.10 2.24 2.20 -1.26 -0.45 119.74 120.04 3kqx s LYS 221 Ca 0.06 -0.68 0.03 0.00 -0.36 0.00 0.00 55.97 55.02 3kqx s LYS 221 Cb 0.09 -0.96 -0.01 0.00 -1.51 0.00 0.00 37.83 35.44 3kqx s LYS 221 CO 0.54 0.24 -0.19 -1.17 -0.36 0.00 0.00 175.35 174.41 3kqx s LEU 222 N -0.91 2.39 -0.16 5.43 2.96 -0.49 -1.81 118.68 126.09 3kqx s LEU 222 Ca 0.02 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.51 3kqx s LEU 222 Cb -0.07 -1.49 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 3kqx s LEU 222 CO 0.01 0.20 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.21 3kqx s THR 223 N 0.13 2.80 -0.18 3.68 2.01 0.32 -0.28 115.64 124.12 3kqx s THR 223 Ca -0.10 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 3kqx s THR 223 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3kqx s THR 223 CO 0.06 0.51 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.77 3kqx s VAL 224 N 0.79 3.70 -0.32 3.82 1.01 0.32 -0.46 120.40 129.26 3kqx s VAL 224 Ca -0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3kqx s VAL 224 Cb -0.15 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.61 3kqx s VAL 224 CO 0.01 0.46 0.09 -0.69 0.00 0.00 0.00 175.10 174.96 3kqx s VAL 225 N 0.85 3.81 -1.00 2.92 1.01 0.22 -1.19 120.40 127.02 3kqx s VAL 225 Ca -0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 3kqx s VAL 225 Cb -0.15 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.27 3kqx s VAL 225 CO 0.02 -0.05 1.29 -0.36 0.00 0.00 0.00 175.10 175.99 3kqx s PHE 226 N 1.44 2.91 -0.22 5.22 0.40 -0.31 -0.65 117.98 126.77 3kqx s PHE 226 Ca 0.00 -1.25 -0.00 0.00 -0.60 0.00 0.00 56.93 55.08 3kqx s PHE 226 Cb -0.18 -4.46 0.19 0.00 0.51 0.00 0.00 43.02 39.08 3kqx s PHE 226 CO 0.02 -1.66 1.81 0.39 0.70 0.00 0.00 175.22 176.48 3kqx n GLU 227 N 7.42 1.57 -4.00 0.44 1.02 -0.64 -4.73 120.64 121.71 3kqx n GLU 227 Ca 0.29 -1.18 -0.09 0.00 -0.02 0.00 0.00 57.16 56.16 3kqx n GLU 227 Cb 0.49 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.60 0.08 -0.18 -3.67 -4.36 -1.25 -4.49 121.20 105.73 3kqx s ILE 228 Ca 0.23 -1.52 -0.08 0.00 -0.26 0.00 0.00 60.65 59.03 3kqx s ILE 228 Cb 0.18 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.99 3kqx s ILE 228 CO 0.01 -0.37 0.07 0.20 0.24 0.00 0.00 174.94 175.10 3kqx s ASN 229 N -2.98 5.74 0.02 4.36 -0.87 -1.26 -4.95 114.94 114.99 3kqx s ASN 229 Ca 0.18 0.12 0.01 0.00 -1.57 0.00 0.00 52.86 51.60 3kqx s ASN 229 Cb 0.04 -1.97 -0.01 0.00 -0.02 0.00 0.00 41.25 39.29 3kqx s ASN 229 CO -0.00 0.19 -0.04 0.68 -2.57 0.00 0.00 177.10 175.36 3kqx s VAL 230 N 0.26 0.26 0.85 1.60 -7.23 -1.26 -4.72 120.40 110.16 3kqx s VAL 230 Ca 0.05 -0.65 -0.12 0.00 -1.81 0.00 0.00 61.98 59.44 3kqx s VAL 230 Cb -0.12 -0.32 0.10 0.00 0.56 0.00 0.00 36.38 36.60 3kqx s VAL 230 CO -0.00 -0.26 1.16 1.51 -0.31 0.00 0.00 175.10 177.20 3kqx s ASP 231 N -0.96 4.11 0.23 4.85 3.84 -1.26 -4.77 116.67 122.70 3kqx s ASP 231 Ca -0.08 0.85 -0.11 0.00 -0.00 0.00 0.00 52.55 53.20 3kqx s ASP 231 Cb -0.07 -1.37 0.31 0.00 -1.38 0.00 0.00 42.92 40.42 3kqx s ASP 231 CO -0.00 -2.16 1.62 0.11 -0.00 0.00 0.00 175.17 174.73 3kqx h LYS 232 N -1.23 0.01 -0.42 2.11 1.57 -1.99 0.79 116.57 117.42 3kqx h LYS 232 Ca -0.48 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.16 3kqx h LYS 232 Cb 1.33 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 3kqx h LYS 232 CO 0.64 0.01 -0.31 -0.91 -0.57 0.00 0.00 179.45 178.32 3kqx h ASN 233 N 0.01 0.97 -0.54 0.86 2.35 -1.93 -0.76 115.58 116.54 3kqx h ASN 233 Ca 0.35 -0.41 -0.11 0.00 -0.55 0.00 0.00 56.30 55.59 3kqx h ASN 233 Cb 0.55 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3kqx h ASN 233 CO -0.72 1.19 -0.08 0.25 -1.65 0.00 0.00 177.43 176.42 3kqx h LEU 234 N 0.78 1.01 -0.41 1.61 5.85 -1.85 0.93 115.31 123.23 3kqx h LEU 234 Ca 0.08 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3kqx h LEU 234 Cb 0.88 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.62 3kqx h LEU 234 CO 0.08 1.11 0.22 0.15 -0.34 0.00 0.00 178.44 179.66 3kqx h PHE 235 N 0.92 0.57 -0.89 1.25 3.57 -0.63 0.25 116.94 121.97 3kqx h PHE 235 Ca 0.15 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3kqx h PHE 235 Cb 0.63 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3kqx h PHE 235 CO 0.04 0.44 0.50 -0.09 -2.23 0.00 0.00 178.31 176.97 3kqx h ARG 236 N 0.53 1.23 -0.50 1.11 2.43 -0.83 -1.97 114.38 116.39 3kqx h ARG 236 Ca 0.15 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3kqx h ARG 236 Cb 0.06 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 3kqx h ARG 236 CO -0.02 0.89 0.32 0.35 -1.51 0.00 0.00 179.97 180.00 3kqx h PHE 237 N 1.24 0.60 -0.48 2.20 3.57 -0.48 -0.22 116.94 123.37 3kqx h PHE 237 Ca 0.31 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.92 3kqx h PHE 237 Cb 0.01 -0.20 -0.10 0.00 2.79 0.00 0.00 35.95 38.45 3kqx h PHE 237 CO 0.01 0.37 -0.28 0.35 -2.23 0.00 0.00 178.31 176.53 3kqx h PHE 238 N 0.65 -0.74 -0.02 0.41 3.57 -0.02 -1.44 116.94 119.35 3kqx h PHE 238 Ca 0.19 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3kqx h PHE 238 Cb -0.04 0.40 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3kqx h PHE 238 CO -0.05 -0.35 0.01 -0.07 -2.23 0.00 0.00 178.31 175.62 3kqx h LEU 239 N -0.17 0.02 -0.86 0.59 3.38 -0.83 -0.38 115.31 117.05 3kqx h LEU 239 Ca 0.21 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.25 3kqx h LEU 239 Cb 0.51 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.17 3kqx h LEU 239 CO -0.58 0.08 0.48 -0.33 0.09 0.00 0.00 178.44 178.18 3kqx h GLU 240 N -0.04 0.71 -0.01 1.13 5.08 -0.85 -0.67 114.58 119.93 3kqx h GLU 240 Ca 0.01 -0.04 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 3kqx h GLU 240 Cb 0.06 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.17 3kqx h GLU 240 CO -0.00 0.47 -1.01 1.15 -1.00 0.00 0.00 179.01 178.62 3kqx h THR 241 N 0.73 1.31 0.02 1.13 2.02 -1.15 -0.43 112.91 116.54 3kqx h THR 241 Ca 0.45 -2.29 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 3kqx h THR 241 Cb 0.54 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3kqx h THR 241 CO -0.31 0.70 -0.01 0.25 0.37 0.00 0.00 175.52 176.52 3kqx h LEU 242 N 0.36 -0.02 -0.11 2.58 5.85 -0.75 0.26 115.31 123.48 3kqx h LEU 242 Ca -0.11 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3kqx h LEU 242 Cb 1.66 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 3kqx h LEU 242 CO 0.19 0.00 0.04 -0.26 -0.34 0.00 0.00 178.44 178.08 3kqx h PHE 243 N -0.04 0.17 0.04 1.25 0.04 -1.05 0.63 116.94 117.97 3kqx h PHE 243 Ca -0.00 -0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 3kqx h PHE 243 Cb 0.04 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.14 3kqx h PHE 243 CO -0.07 0.26 -0.02 -0.92 -0.60 0.00 0.00 178.31 176.96 3kqx h TYR 244 N 0.02 -0.04 -0.25 -0.55 3.20 -0.97 -2.01 116.97 116.36 3kqx h TYR 244 Ca 0.04 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.78 3kqx h TYR 244 Cb 0.17 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.44 3kqx h TYR 244 CO -0.02 -0.03 -0.38 0.93 -1.64 0.00 0.00 178.16 177.03 3kqx h GLU 245 N -0.05 0.57 -0.63 1.82 4.39 -0.42 -3.16 114.58 117.10 3kqx h GLU 245 Ca -0.00 -0.28 -0.08 0.00 0.34 0.00 0.00 59.36 59.34 3kqx h GLU 245 Cb 0.04 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 3kqx h GLU 245 CO 0.01 0.86 0.09 -0.92 -1.16 0.00 0.00 179.01 177.89 3kqx h TYR 246 N 0.48 1.12 -2.88 4.33 3.20 -0.80 -3.42 116.97 118.99 3kqx h TYR 246 Ca 0.05 -0.16 -0.53 0.00 3.14 0.00 0.00 58.73 61.23 3kqx h TYR 246 Cb 0.88 -0.31 0.04 0.00 1.54 0.00 0.00 36.73 38.87 3kqx h TYR 246 CO 0.04 0.95 0.83 1.41 -1.64 0.00 0.00 178.16 179.74 3kqx s MET 247 N -5.16 4.25 -0.03 1.82 1.75 -0.76 -5.02 119.30 116.14 3kqx s MET 247 Ca -0.11 2.26 0.06 0.00 -1.25 0.00 0.00 55.69 56.65 3kqx s MET 247 Cb 0.14 -3.19 -0.02 0.00 2.84 0.00 0.00 34.83 34.60 3kqx s MET 247 CO 0.84 -0.55 -0.21 0.95 -0.65 0.00 0.00 175.02 175.41 3kqx s THR 248 N 1.15 2.48 -0.52 10.11 -4.23 -1.26 -4.94 115.64 118.43 3kqx s THR 248 Ca 0.68 -0.94 -0.24 0.00 -1.18 0.00 0.00 61.69 60.01 3kqx s THR 248 Cb -0.41 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 71.55 3kqx s THR 248 CO 0.31 0.58 0.91 -0.62 -0.54 0.00 0.00 174.62 175.26 3kqx s ASP 249 N -0.66 6.37 -0.02 3.99 -1.08 -1.26 -4.90 116.67 119.12 3kqx s ASP 249 Ca 0.10 -0.25 0.09 0.00 -0.52 0.00 0.00 52.55 51.97 3kqx s ASP 249 Cb -0.10 -2.43 0.25 0.00 -1.46 0.00 0.00 42.92 39.18 3kqx s ASP 249 CO -0.00 -1.15 1.21 1.21 0.52 0.00 0.00 175.17 176.96 3kqx n GLU 250 N 7.28 2.87 -0.01 4.34 4.07 -1.26 -4.70 120.64 133.23 3kqx n GLU 250 Ca 0.02 -2.00 0.14 0.00 -0.06 0.00 0.00 57.16 55.27 3kqx n GLU 250 Cb 0.48 -1.26 0.58 0.00 -0.06 0.00 0.00 31.44 31.18 3kqx n GLU 250 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3kqx h ARG 251 N 1.52 0.21 -0.55 5.31 3.08 -1.98 -2.35 114.38 119.63 3kqx h ARG 251 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kqx h ARG 251 Cb 0.74 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3kqx h ARG 251 CO 0.02 0.14 0.00 1.19 -1.07 0.00 0.00 179.97 180.25 3kqx n PHE 252 N -4.45 0.73 -3.57 3.04 3.01 -1.26 -4.94 117.46 110.02 3kqx n PHE 252 Ca 0.08 -0.47 -0.35 0.00 1.01 0.00 0.00 57.45 57.73 3kqx n PHE 252 Cb 0.42 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.83 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 -1.04 3.77 -0.22 -1.08 -0.14 -0.89 -5.27 119.74 114.88 3kqx s LYS 253 Ca 0.38 0.19 0.14 0.00 -1.36 0.00 0.00 55.97 55.32 3kqx s LYS 253 Cb 0.20 -2.99 0.79 0.00 -1.68 0.00 0.00 37.83 34.15 3kqx s LYS 253 CO 0.27 0.55 1.70 -1.13 -0.76 0.00 0.00 175.35 175.98 3kqx n SER 254 N 0.89 5.48 0.00 2.83 3.41 -1.26 -5.07 113.62 119.90 3kqx n SER 254 Ca -0.08 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.69 3kqx n SER 254 Cb 0.52 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.80 3kqx n SER 254 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqx n ASN 260 N 0.67 0.00 -4.16 4.04 0.23 -1.26 -5.22 115.26 109.56 3kqx n ASN 260 Ca 0.27 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.20 3kqx n ASN 260 Cb 1.13 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.74 3kqx n ASN 260 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kqx s MET 261 N 0.00 1.25 0.01 -3.83 0.00 -1.26 -3.99 119.30 111.48 3kqx s MET 261 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 55.69 54.11 3kqx s MET 261 Cb 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 34.83 35.11 3kqx s MET 261 CO 0.00 -0.42 -0.07 -1.21 0.00 0.00 0.00 175.02 173.32 3kqx s GLU 262 N -4.13 0.51 0.26 3.16 2.02 -0.97 -4.95 118.70 114.61 3kqx s GLU 262 Ca 0.37 -0.41 -0.30 0.00 0.02 0.00 0.00 54.97 54.66 3kqx s GLU 262 Cb 0.06 -0.43 -0.10 0.00 0.10 0.00 0.00 34.13 33.76 3kqx s GLU 262 CO 0.12 0.11 1.47 0.71 0.02 0.00 0.00 175.26 177.69 3kqx s TYR 263 N -0.56 2.95 0.81 1.61 2.02 -1.26 -4.58 117.35 118.33 3kqx s TYR 263 Ca -0.02 0.99 -0.12 0.00 -0.37 0.00 0.00 57.07 57.55 3kqx s TYR 263 Cb -0.05 -3.88 0.08 0.00 -0.40 0.00 0.00 41.96 37.72 3kqx s TYR 263 CO 0.00 -2.86 1.14 0.96 -1.57 0.00 0.00 175.55 173.22 3kqx s ILE 264 N -0.07 2.63 -0.04 2.71 -4.36 -1.26 -4.94 121.20 115.87 3kqx s ILE 264 Ca 0.60 0.23 0.14 0.00 -0.26 0.00 0.00 60.65 61.36 3kqx s ILE 264 Cb -0.43 -2.56 -0.21 0.00 1.25 0.00 0.00 42.46 40.50 3kqx s ILE 264 CO 0.45 -0.24 0.31 0.29 0.24 0.00 0.00 174.94 175.99 3kqx n LYS 265 N -3.51 0.47 -4.33 0.37 4.76 0.41 -4.61 118.16 111.72 3kqx n LYS 265 Ca 0.11 -0.12 -0.18 0.00 -2.87 0.00 0.00 58.31 55.25 3kqx n LYS 265 Cb 0.52 -1.32 -0.14 0.00 -1.84 0.00 0.00 35.03 32.25 3kqx n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqx s HIS 266 N -2.93 0.87 -0.09 2.13 3.76 -1.01 -0.82 115.29 117.19 3kqx s HIS 266 Ca -0.05 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 3kqx s HIS 266 Cb 0.09 -0.54 0.02 0.00 1.11 0.00 0.00 32.58 33.26 3kqx s HIS 266 CO 0.57 -0.01 -0.07 -1.17 -0.85 0.00 0.00 174.74 173.20 3kqx s LEU 267 N -0.53 1.20 -0.08 0.89 2.96 0.19 -1.39 118.68 121.91 3kqx s LEU 267 Ca 0.02 -0.26 -0.00 0.00 -0.22 0.00 0.00 54.13 53.67 3kqx s LEU 267 Cb -0.05 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 45.86 3kqx s LEU 267 CO 0.00 -0.10 -0.05 -0.83 -1.32 0.00 0.00 176.35 174.06 3kqx s GLY 268 N 1.50 1.74 -0.06 7.98 0.00 0.62 -0.97 107.32 118.13 3kqx s GLY 268 Ca 0.00 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.90 3kqx s GLY 268 CO -0.05 -0.62 -0.18 0.14 0.00 0.00 0.00 173.10 172.39 3kqx s VAL 269 N -0.80 1.56 -0.19 1.40 1.01 -0.00 -0.52 120.40 122.86 3kqx s VAL 269 Ca 0.12 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 3kqx s VAL 269 Cb -0.11 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3kqx s VAL 269 CO 0.02 0.45 -0.05 -0.31 0.00 0.00 0.00 175.10 175.20 3kqx s TYR 270 N 0.17 2.95 -0.11 5.22 1.51 -0.34 -0.10 117.35 126.65 3kqx s TYR 270 Ca -0.08 -0.71 -0.25 0.00 -1.01 0.00 0.00 57.07 55.02 3kqx s TYR 270 Cb -0.14 -2.03 0.06 0.00 -0.11 0.00 0.00 41.96 39.75 3kqx s TYR 270 CO 0.04 -0.36 0.59 -1.50 -1.11 0.00 0.00 175.55 173.21 3kqx s ILE 271 N 1.01 0.01 0.36 2.71 2.07 -0.86 -1.16 121.20 125.34 3kqx s ILE 271 Ca 0.00 -0.08 -0.27 0.00 -1.41 0.00 0.00 60.65 58.89 3kqx s ILE 271 Cb -0.15 -0.88 -0.09 0.00 0.13 0.00 0.00 42.46 41.47 3kqx s ILE 271 CO 0.00 -0.05 1.21 0.21 -1.91 0.00 0.00 174.94 174.41 3kqx s ASN 272 N -0.69 6.70 -1.16 4.50 2.47 -1.26 -1.86 114.94 123.63 3kqx s ASN 272 Ca -0.08 2.47 -0.06 0.00 0.42 0.00 0.00 52.86 55.61 3kqx s ASN 272 Cb -0.02 -2.63 0.01 0.00 -1.45 0.00 0.00 41.25 37.15 3kqx s ASN 272 CO 0.06 -0.56 1.01 0.59 -3.72 0.00 0.00 177.10 174.48 3kqx n ASN 273 N 0.49 -4.97 -0.21 -4.21 5.03 -1.26 -4.90 115.26 105.23 3kqx n ASN 273 Ca 0.02 -0.49 0.21 0.00 0.87 0.00 0.00 54.58 55.19 3kqx n ASN 273 Cb 0.44 -4.51 0.57 0.00 -1.02 0.00 0.00 39.78 35.27 3kqx n ASN 273 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kqx h ALA 274 N 0.87 2.37 -0.70 5.41 0.00 -1.81 -2.07 119.26 123.33 3kqx h ALA 274 Ca -0.50 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kqx h ALA 274 Cb 1.32 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3kqx h ALA 274 CO 0.48 -0.64 0.45 -0.44 0.00 0.00 0.00 179.25 179.10 3kqx h ASP 275 N 0.29 0.81 0.79 0.00 3.32 -1.90 -2.10 116.42 117.63 3kqx h ASP 275 Ca 0.45 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.43 3kqx h ASP 275 Cb 1.28 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3kqx h ASP 275 CO -0.13 0.61 -0.17 0.71 -1.72 0.00 0.00 179.24 178.54 3kqx h THR 276 N 0.95 0.47 0.00 0.35 1.35 -1.76 -3.21 112.91 111.06 3kqx h THR 276 Ca 0.25 -0.88 -0.02 0.00 -0.55 0.00 0.00 66.41 65.21 3kqx h THR 276 Cb -0.08 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3kqx h THR 276 CO -0.05 0.16 -0.50 1.88 -0.25 0.00 0.00 175.52 176.76 3kqx h TYR 277 N 0.00 0.00 -0.71 4.73 0.05 -1.41 -3.37 116.97 116.27 3kqx h TYR 277 Ca -0.00 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.84 3kqx h TYR 277 Cb 0.61 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.30 3kqx h TYR 277 CO 0.00 0.08 0.47 0.87 -1.05 0.00 0.00 178.16 178.52 3kqx h LYS 278 N 0.00 0.72 0.00 4.88 1.57 -1.47 -1.37 116.57 120.90 3kqx h LYS 278 Ca -0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kqx h LYS 278 Cb 1.07 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3kqx h LYS 278 CO 0.01 0.48 0.00 -0.85 -0.57 0.00 0.00 179.45 178.51 3kqx n GLU 279 N -4.48 0.04 0.10 3.15 0.28 -1.26 -2.65 120.64 115.82 3kqx n GLU 279 Ca 0.10 0.26 0.12 0.00 -0.16 0.00 0.00 57.16 57.48 3kqx n GLU 279 Cb 0.22 -1.50 0.10 0.00 1.43 0.00 0.00 31.44 31.69 3kqx n GLU 279 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kqx h GLU 280 N 0.00 0.00 0.83 3.44 4.39 -1.51 -3.38 114.58 118.34 3kqx h GLU 280 Ca 0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kqx h GLU 280 Cb 0.20 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3kqx h GLU 280 CO 0.00 0.00 -0.40 0.28 -1.16 0.00 0.00 179.01 177.73 3kqx h VAL 281 N 0.00 0.00 0.00 3.13 2.07 -1.62 0.44 116.25 120.27 3kqx h VAL 281 Ca 0.00 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3kqx h VAL 281 Cb 0.89 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3kqx h VAL 281 CO 0.00 0.00 -0.19 -0.33 0.02 0.00 0.00 177.57 177.07 3kqx h GLU 282 N -1.25 0.00 0.04 1.57 4.39 -1.80 -1.48 114.58 116.06 3kqx h GLU 282 Ca -0.11 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3kqx h GLU 282 Cb 0.85 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 3kqx h GLU 282 CO 0.19 0.19 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.98 3kqx h LYS 283 N 0.00 -0.06 -0.84 2.33 3.64 -1.71 -2.01 116.57 117.92 3kqx h LYS 283 Ca -0.00 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.56 3kqx h LYS 283 Cb 0.62 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.34 3kqx h LYS 283 CO 0.02 0.21 0.36 0.00 -2.27 0.00 0.00 179.45 177.78 3kqx h ALA 284 N 0.61 1.28 -0.35 5.00 0.00 -0.38 0.20 119.26 125.63 3kqx h ALA 284 Ca -0.01 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3kqx h ALA 284 Cb 0.30 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3kqx h ALA 284 CO 0.01 -0.25 -0.12 -0.09 0.00 0.00 0.00 179.25 178.80 3kqx h ARG 285 N 0.45 0.60 -0.01 0.00 2.43 -1.11 0.27 114.38 117.01 3kqx h ARG 285 Ca 0.49 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 3kqx h ARG 285 Cb 0.84 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3kqx h ARG 285 CO -0.46 0.71 -0.01 0.28 -1.51 0.00 0.00 179.97 178.98 3kqx h VAL 286 N 0.55 1.37 -0.83 0.20 2.07 -0.51 -2.07 116.25 117.03 3kqx h VAL 286 Ca 0.10 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3kqx h VAL 286 Cb 0.53 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 3kqx h VAL 286 CO 0.03 0.29 0.54 1.88 0.02 0.00 0.00 177.57 180.34 3kqx h TYR 287 N -0.42 1.00 0.60 1.57 -1.99 -0.86 -0.92 116.97 115.95 3kqx h TYR 287 Ca 0.00 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3kqx h TYR 287 Cb 0.48 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 3kqx h TYR 287 CO 0.09 0.59 -0.39 -0.92 -0.00 0.00 0.00 178.16 177.53 3kqx h TYR 288 N 1.04 -1.04 -0.73 4.88 3.20 -0.41 -2.15 116.97 121.77 3kqx h TYR 288 Ca 0.32 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 3kqx h TYR 288 Cb 0.00 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3kqx h TYR 288 CO -0.00 -0.58 0.41 0.35 -1.64 0.00 0.00 178.16 176.70 3kqx h PHE 289 N -0.94 0.99 -0.69 -3.82 3.57 -1.02 0.11 116.94 115.13 3kqx h PHE 289 Ca -0.07 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.54 3kqx h PHE 289 Cb 0.77 -0.32 -0.13 0.00 2.79 0.00 0.00 35.95 39.06 3kqx h PHE 289 CO -0.12 0.69 -0.25 0.78 -2.23 0.00 0.00 178.31 177.18 3kqx h GLY 290 N 1.00 0.27 1.07 2.40 0.00 -1.14 0.77 103.07 107.43 3kqx h GLY 290 Ca 0.26 0.32 -0.11 0.00 0.00 0.00 0.00 47.33 47.81 3kqx h GLY 290 CO -0.04 -0.25 -0.08 -0.84 0.00 0.00 0.00 176.54 175.33 3kqx h THR 291 N -0.06 1.27 -0.34 4.70 2.02 -0.81 -1.02 112.91 118.67 3kqx h THR 291 Ca 0.31 -1.22 -0.13 0.00 0.77 0.00 0.00 66.41 66.14 3kqx h THR 291 Cb 0.54 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3kqx h THR 291 CO -0.73 0.43 -0.30 0.22 0.37 0.00 0.00 175.52 175.50 3kqx h TYR 292 N 0.86 0.85 -0.23 3.16 3.20 -0.46 -0.91 116.97 123.44 3kqx h TYR 292 Ca 0.14 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 3kqx h TYR 292 Cb 0.64 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kqx h TYR 292 CO 0.05 0.95 -0.01 -0.92 -1.64 0.00 0.00 178.16 176.58 3kqx h TYR 293 N 0.62 0.45 -0.63 -3.82 3.20 -0.70 0.12 116.97 116.22 3kqx h TYR 293 Ca 0.07 -0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.93 3kqx h TYR 293 Cb 0.82 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 3kqx h TYR 293 CO 0.04 0.61 0.31 0.00 -1.64 0.00 0.00 178.16 177.48 3kqx h ALA 294 N 0.79 0.84 -0.94 1.82 0.00 -1.09 -1.10 119.26 119.58 3kqx h ALA 294 Ca 0.06 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3kqx h ALA 294 Cb 0.44 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3kqx h ALA 294 CO 0.01 -0.06 0.61 1.03 0.00 0.00 0.00 179.25 180.85 3kqx h SER 295 N 0.57 1.02 -0.56 0.00 0.87 -0.74 -0.74 113.55 113.97 3kqx h SER 295 Ca 0.30 -0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.76 3kqx h SER 295 Cb 0.26 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3kqx h SER 295 CO -0.22 0.71 -0.00 1.56 -0.53 0.00 0.00 176.83 178.34 3kqx h GLN 296 N 1.19 1.00 -0.54 2.24 4.20 0.48 0.02 115.11 123.69 3kqx h GLN 296 Ca 0.37 -0.32 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3kqx h GLN 296 Cb -0.01 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 3kqx h GLN 296 CO -0.12 0.99 0.35 -0.07 -0.67 0.00 0.00 178.83 179.32 3kqx h LEU 297 N 0.88 0.59 -0.09 1.46 3.38 -0.73 -2.14 115.31 118.65 3kqx h LEU 297 Ca 0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kqx h LEU 297 Cb 0.55 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3kqx h LEU 297 CO 0.03 0.42 0.01 0.40 0.09 0.00 0.00 178.44 179.39 3kqx h ILE 298 N 0.70 1.23 0.00 1.22 2.04 -0.81 -3.11 117.51 118.78 3kqx h ILE 298 Ca 0.21 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 3kqx h ILE 298 Cb -0.04 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3kqx h ILE 298 CO -0.06 0.20 -0.36 0.00 0.00 0.00 0.00 178.15 177.93 3kqx h ALA 299 N 0.77 1.10 -2.32 1.87 0.00 -1.00 -3.41 119.26 116.26 3kqx h ALA 299 Ca 0.03 -0.33 -0.56 0.00 0.00 0.00 0.00 54.91 54.05 3kqx h ALA 299 Cb 0.31 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.08 3kqx h ALA 299 CO 0.00 0.45 1.05 0.00 0.00 0.00 0.00 179.25 180.76 3kqx n ALA 300 N -2.34 1.64 -0.96 0.00 0.00 -0.81 -4.95 120.51 113.10 3kqx n ALA 300 Ca -0.01 0.33 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 3kqx n ALA 300 Cb 0.46 -2.53 0.14 0.00 0.00 0.00 0.00 19.45 17.52 3kqx n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqx s PRO 301 N 2.82 1.49 0.56 0.00 0.02 -1.26 -4.57 135.00 134.06 3kqx s PRO 301 Ca 0.85 1.33 0.34 0.00 0.02 0.00 0.00 61.00 63.53 3kqx s PRO 301 Cb -0.57 -1.80 1.53 0.00 0.02 0.00 0.00 34.50 33.68 3kqx s PRO 301 CO 0.41 -2.23 2.05 0.77 -0.33 0.00 0.00 177.00 177.68 3kqx h SER 302 N -1.57 0.00 1.16 2.53 0.02 -1.81 0.10 113.55 113.98 3kqx h SER 302 Ca -0.44 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 3kqx h SER 302 Cb 1.26 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.79 3kqx h SER 302 CO 0.47 0.04 -0.17 -0.55 -1.14 0.00 0.00 176.83 175.48 3kqx h ASN 303 N 0.00 0.00 0.04 3.07 -1.07 -1.93 -3.32 115.58 112.36 3kqx h ASN 303 Ca -0.00 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.15 3kqx h ASN 303 Cb 0.42 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.65 3kqx h ASN 303 CO 0.01 0.17 -1.18 1.88 0.07 0.00 0.00 177.43 178.38 3kqx h TYR 304 N 0.00 0.14 -3.34 4.14 0.05 -1.29 -3.40 116.97 113.27 3kqx h TYR 304 Ca -0.00 -0.10 -0.74 0.00 0.05 0.00 0.00 58.73 57.94 3kqx h TYR 304 Cb 0.79 -0.01 -0.28 0.00 1.01 0.00 0.00 36.73 38.24 3kqx h TYR 304 CO 0.00 1.46 -0.28 0.00 -1.05 0.00 0.00 178.16 178.29 3kqx s ASN 306 N 2.66 2.99 0.36 0.00 2.20 -1.26 -4.38 114.94 117.51 3kqx s ASN 306 Ca 0.08 -1.54 0.09 0.00 -0.94 0.00 0.00 52.86 50.55 3kqx s ASN 306 Cb -0.24 0.22 0.82 0.00 -2.00 0.00 0.00 41.25 40.04 3kqx s ASN 306 CO -0.01 -0.76 1.89 -0.65 -2.94 0.00 0.00 177.10 174.63 3kqx h PRO 307 N 1.82 0.66 0.00 3.55 0.11 -1.87 0.15 132.00 136.43 3kqx h PRO 307 Ca -0.40 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 3kqx h PRO 307 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3kqx h PRO 307 CO 0.67 0.44 -0.00 0.28 -0.21 0.00 0.00 178.00 179.17 3kqx h VAL 308 N 0.68 1.63 -0.21 3.15 2.07 -1.94 -2.50 116.25 119.14 3kqx h VAL 308 Ca 0.42 -1.96 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 3kqx h VAL 308 Cb 0.66 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.38 3kqx h VAL 308 CO -0.18 0.50 -0.07 0.77 0.02 0.00 0.00 177.57 178.61 3kqx h SER 309 N -0.85 0.29 -0.24 0.57 4.64 -1.83 -0.66 113.55 115.48 3kqx h SER 309 Ca -0.00 -0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 3kqx h SER 309 Cb 0.83 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3kqx h SER 309 CO 0.00 0.41 -0.14 0.25 -0.87 0.00 0.00 176.83 176.48 3kqx h LEU 310 N 0.30 0.54 -0.55 5.97 6.46 -0.77 -1.17 115.31 126.09 3kqx h LEU 310 Ca 0.07 -0.42 -0.10 0.00 -0.12 0.00 0.00 57.88 57.30 3kqx h LEU 310 Cb 0.32 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 3kqx h LEU 310 CO 0.01 0.84 -0.48 0.77 -0.62 0.00 0.00 178.44 178.96 3kqx h SER 311 N 0.23 0.00 -0.28 1.25 4.64 -1.26 -1.80 113.55 116.33 3kqx h SER 311 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3kqx h SER 311 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3kqx h SER 311 CO 0.04 0.48 0.14 0.78 -0.87 0.00 0.00 176.83 177.41 3kqx h ASN 312 N 0.00 0.35 -0.81 4.97 2.35 -0.97 -1.93 115.58 119.54 3kqx h ASN 312 Ca -0.00 -0.11 0.11 0.00 -0.55 0.00 0.00 56.30 55.75 3kqx h ASN 312 Cb 1.14 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 39.34 3kqx h ASN 312 CO 0.06 0.36 0.44 0.00 -1.65 0.00 0.00 177.43 176.64 3kqx h ALA 313 N 1.01 1.16 -0.60 -0.83 0.00 -1.00 -1.17 119.26 117.84 3kqx h ALA 313 Ca 0.10 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kqx h ALA 313 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kqx h ALA 313 CO -0.01 0.01 0.23 0.00 0.00 0.00 0.00 179.25 179.48 3kqx h ALA 314 N 1.48 0.78 -0.56 0.00 0.00 -1.07 -0.09 119.26 119.78 3kqx h ALA 314 Ca 0.41 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3kqx h ALA 314 Cb 0.45 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kqx h ALA 314 CO -0.28 0.40 0.37 0.28 0.00 0.00 0.00 179.25 180.02 3kqx h VAL 315 N 0.83 1.15 -0.59 0.00 2.07 -0.88 0.12 116.25 118.94 3kqx h VAL 315 Ca 0.20 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3kqx h VAL 315 Cb 0.22 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3kqx h VAL 315 CO -0.01 0.14 0.25 -0.08 0.02 0.00 0.00 177.57 177.89 3kqx h GLU 316 N 0.76 0.87 -0.15 1.57 4.81 -0.89 0.99 114.58 122.55 3kqx h GLU 316 Ca 0.21 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 3kqx h GLU 316 Cb -0.09 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 3kqx h GLU 316 CO -0.04 0.73 -0.10 1.25 -0.73 0.00 0.00 179.01 180.12 3kqx h LEU 317 N 0.81 -0.32 -0.88 1.64 5.85 -0.74 -1.63 115.31 120.05 3kqx h LEU 317 Ca 0.20 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3kqx h LEU 317 Cb 0.17 0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3kqx h LEU 317 CO -0.02 -0.13 0.57 0.00 -0.34 0.00 0.00 178.44 178.52 3kqx h ALA 318 N 1.02 1.15 -0.04 1.25 0.00 -0.22 -1.17 119.26 121.24 3kqx h ALA 318 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kqx h ALA 318 Cb 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kqx h ALA 318 CO -0.21 0.42 0.02 1.96 0.00 0.00 0.00 179.25 181.44 3kqx h GLN 319 N 1.10 0.06 -0.55 0.00 4.20 -0.56 0.23 115.11 119.60 3kqx h GLN 319 Ca 0.35 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 59.08 3kqx h GLN 319 Cb -0.00 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3kqx h GLN 319 CO -0.12 0.19 0.36 0.87 -0.67 0.00 0.00 178.83 179.47 3kqx h LYS 320 N -0.08 0.59 -0.03 1.46 1.57 -0.98 -2.58 116.57 116.53 3kqx h LYS 320 Ca 0.01 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kqx h LYS 320 Cb 0.15 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3kqx h LYS 320 CO -0.00 0.39 0.00 1.28 -0.57 0.00 0.00 179.45 180.55 3kqx n LEU 321 N -4.47 2.20 -3.61 2.94 4.77 -0.47 -4.96 117.00 113.40 3kqx n LEU 321 Ca 0.07 -0.74 -0.22 0.00 -0.03 0.00 0.00 56.01 55.09 3kqx n LEU 321 Cb 0.16 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.31 3kqx n LEU 321 CO 0.35 0.37 0.11 0.59 -1.33 0.00 0.00 177.39 177.48 3kqx n ASN 322 N 0.72 -3.58 -4.90 -1.43 3.02 0.55 -4.96 115.26 104.68 3kqx n ASN 322 Ca 0.17 -0.66 -0.30 0.00 -0.03 0.00 0.00 54.58 53.75 3kqx n ASN 322 Cb 0.47 -4.68 -0.04 0.00 -0.61 0.00 0.00 39.78 34.91 3kqx n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kqx s LEU 323 N -6.86 4.17 0.54 3.41 1.43 0.34 -5.03 118.68 116.69 3kqx s LEU 323 Ca 0.28 0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 53.88 3kqx s LEU 323 Cb -0.13 -3.47 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 3kqx s LEU 323 CO 0.76 -0.07 1.17 -1.61 0.23 0.00 0.00 176.35 176.84 3kqx s GLU 324 N -3.03 3.35 -0.03 1.70 8.01 -0.67 -4.62 118.70 123.40 3kqx s GLU 324 Ca 0.43 1.74 -0.17 0.00 0.01 0.00 0.00 54.97 56.98 3kqx s GLU 324 Cb -0.11 -2.10 0.03 0.00 -4.31 0.00 0.00 34.13 27.64 3kqx s GLU 324 CO 0.26 -0.88 0.38 1.52 0.01 0.00 0.00 175.26 176.54 3kqx s TYR 325 N -1.65 -0.28 -0.08 1.61 -0.85 -1.26 -0.87 117.35 113.98 3kqx s TYR 325 Ca 0.72 0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 57.69 3kqx s TYR 325 Cb -0.28 0.15 0.04 0.00 0.38 0.00 0.00 41.96 42.25 3kqx s TYR 325 CO 0.31 -0.41 0.18 0.21 -1.52 0.00 0.00 175.55 174.32 3kqx s LYS 326 N -1.20 0.14 -0.21 -3.49 2.20 -0.11 -5.01 119.74 112.06 3kqx s LYS 326 Ca -0.12 0.39 -0.06 0.00 -0.36 0.00 0.00 55.97 55.83 3kqx s LYS 326 Cb -0.04 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.12 3kqx s LYS 326 CO 0.05 -0.15 0.02 0.42 -0.36 0.00 0.00 175.35 175.33 3kqx s ILE 327 N 1.05 4.07 -0.16 5.43 -1.09 -1.26 -1.72 121.20 127.52 3kqx s ILE 327 Ca -0.08 -0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 57.90 3kqx s ILE 327 Cb -0.10 -2.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 3kqx s ILE 327 CO -0.06 0.41 0.44 -0.76 -1.23 0.00 0.00 174.94 173.74 3kqx s LEU 328 N 1.13 4.22 0.00 2.97 1.43 0.30 -4.89 118.68 123.84 3kqx s LEU 328 Ca 0.03 0.67 0.09 0.00 -1.03 0.00 0.00 54.13 53.89 3kqx s LEU 328 Cb -0.14 -2.60 0.09 0.00 0.03 0.00 0.00 46.19 43.56 3kqx s LEU 328 CO 0.02 -0.03 0.74 0.61 0.23 0.00 0.00 176.35 177.92 3kqx n GLY 329 N 3.53 1.91 0.25 -3.19 0.00 -1.26 -1.17 105.19 105.26 3kqx n GLY 329 Ca -0.08 -2.21 -0.04 0.00 0.00 0.00 0.00 46.02 43.69 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 0.07 1.08 -0.73 1.61 2.07 -1.97 -0.74 116.25 117.63 3kqx h VAL 330 Ca -0.25 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3kqx h VAL 330 Cb 1.15 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3kqx h VAL 330 CO 0.35 0.14 0.30 0.50 0.02 0.00 0.00 177.57 178.89 3kqx h LYS 331 N 0.76 1.09 -0.15 1.57 3.64 -1.96 0.40 116.57 121.92 3kqx h LYS 331 Ca 0.25 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 3kqx h LYS 331 Cb 0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3kqx h LYS 331 CO -0.11 0.88 -0.47 0.93 -2.27 0.00 0.00 179.45 178.42 3kqx h GLU 332 N 1.05 0.39 -0.04 1.90 5.08 -1.73 -2.08 114.58 119.14 3kqx h GLU 332 Ca 0.25 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.29 3kqx h GLU 332 Cb 0.20 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3kqx h GLU 332 CO -0.02 0.78 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.24 3kqx h LEU 333 N 0.31 0.11 -0.45 1.33 3.38 -0.70 -1.46 115.31 117.84 3kqx h LEU 333 Ca 0.02 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3kqx h LEU 333 Cb 0.94 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 3kqx h LEU 333 CO 0.08 0.56 -0.28 -0.33 0.09 0.00 0.00 178.44 178.55 3kqx h GLU 334 N 0.08 0.98 -0.31 1.13 5.08 -0.75 -2.06 114.58 118.74 3kqx h GLU 334 Ca 0.00 -0.46 -0.09 0.00 -1.00 0.00 0.00 59.36 57.81 3kqx h GLU 334 Cb 0.85 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3kqx h GLU 334 CO 0.06 1.13 -0.20 0.93 -1.00 0.00 0.00 179.01 179.93 3kqx h GLU 335 N 0.82 0.57 -0.00 2.33 5.08 -0.91 -1.97 114.58 120.50 3kqx h GLU 335 Ca 0.09 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3kqx h GLU 335 Cb 0.87 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3kqx h GLU 335 CO 0.08 0.74 -0.01 1.28 -1.00 0.00 0.00 179.01 180.09 3kqx n LEU 336 N -4.14 0.11 -2.53 1.33 4.77 -0.59 -4.93 117.00 111.02 3kqx n LEU 336 Ca 0.00 0.08 -0.18 0.00 -0.03 0.00 0.00 56.01 55.87 3kqx n LEU 336 Cb 0.39 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3kqx n LEU 336 CO 0.42 0.02 0.00 0.29 -1.33 0.00 0.00 177.39 176.79 3kqx n LYS 337 N -1.04 -4.11 -1.94 3.23 4.76 -0.74 -4.74 118.16 113.57 3kqx n LYS 337 Ca 0.19 0.75 -0.42 0.00 -2.87 0.00 0.00 58.31 55.97 3kqx n LYS 337 Cb 0.18 -5.28 -0.00 0.00 -1.84 0.00 0.00 35.03 28.09 3kqx n LYS 337 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kqx n MET 338 N -3.47 3.50 0.05 1.97 2.81 -0.87 -2.51 117.12 118.60 3kqx n MET 338 Ca -0.09 -3.02 -0.04 0.00 -1.81 0.00 0.00 57.70 52.74 3kqx n MET 338 Cb 0.60 -2.99 0.18 0.00 -0.71 0.00 0.00 33.22 30.30 3kqx n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqx h GLY 339 N 8.17 0.41 0.55 3.03 0.00 -1.77 -1.42 103.07 112.02 3kqx h GLY 339 Ca 0.56 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3kqx h GLY 339 CO 1.72 0.35 -0.08 0.00 0.00 0.00 0.00 176.54 178.53 3kqx h ALA 340 N 1.27 -0.24 -0.27 3.60 0.00 -1.83 -2.45 119.26 119.35 3kqx h ALA 340 Ca 0.03 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3kqx h ALA 340 Cb 0.83 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3kqx h ALA 340 CO 0.07 -0.41 0.04 -0.92 0.00 0.00 0.00 179.25 178.03 3kqx h TYR 341 N -0.69 0.06 -0.21 0.00 3.20 -1.66 -2.67 116.97 115.01 3kqx h TYR 341 Ca -0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 3kqx h TYR 341 Cb 0.49 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3kqx h TYR 341 CO 0.06 0.00 0.01 -0.07 -1.64 0.00 0.00 178.16 176.52 3kqx h LEU 342 N 0.13 0.27 -0.73 2.82 3.38 -1.32 -2.82 115.31 117.04 3kqx h LEU 342 Ca 0.12 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3kqx h LEU 342 Cb 0.14 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3kqx h LEU 342 CO -0.18 0.31 0.23 0.28 0.09 0.00 0.00 178.44 179.18 3kqx h SER 343 N 0.29 1.06 -0.85 -0.43 0.02 -1.08 -2.60 113.55 109.96 3kqx h SER 343 Ca 0.07 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3kqx h SER 343 Cb 0.18 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3kqx h SER 343 CO 0.00 0.98 0.57 0.58 -1.14 0.00 0.00 176.83 177.82 3kqx h VAL 344 N 1.08 1.21 -0.01 2.27 2.07 -1.38 -2.68 116.25 118.81 3kqx h VAL 344 Ca 0.24 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kqx h VAL 344 Cb 0.30 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3kqx h VAL 344 CO -0.01 0.21 -0.17 0.61 0.02 0.00 0.00 177.57 178.23 3kqx n GLY 345 N -1.40 -0.47 0.29 2.17 0.00 -1.11 -4.34 105.19 100.32 3kqx n GLY 345 Ca 0.10 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.77 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 1.47 0.57 0.00 1.61 1.57 -1.10 -2.17 116.57 118.52 3kqx h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqx h LYS 346 Cb 0.49 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3kqx h LYS 346 CO 0.00 0.38 0.00 0.41 -0.57 0.00 0.00 179.45 179.67 3kqx n GLY 347 N -1.32 -0.89 3.91 3.86 0.00 -1.24 -4.48 105.19 105.04 3kqx n GLY 347 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.61 6.43 0.09 1.61 0.15 -0.82 -4.57 113.70 114.97 3kqx s SER 348 Ca 0.24 0.45 0.22 0.00 0.70 0.00 0.00 55.95 57.56 3kqx s SER 348 Cb 0.11 -2.03 0.88 0.00 -1.71 0.00 0.00 66.02 63.27 3kqx s SER 348 CO 0.18 0.05 1.68 1.15 1.20 0.00 0.00 173.24 177.50 3kqx n MET 349 N -0.11 0.08 -3.84 5.44 0.00 -1.26 -4.74 117.12 112.68 3kqx n MET 349 Ca -0.04 0.22 -0.35 0.00 0.00 0.00 0.00 57.70 57.53 3kqx n MET 349 Cb 0.52 -1.62 -0.10 0.00 0.00 0.00 0.00 33.22 32.02 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 -3.08 3.26 0.48 3.17 1.51 -1.26 -4.90 117.35 116.52 3kqx s TYR 350 Ca 0.09 0.07 -0.24 0.00 -1.01 0.00 0.00 57.07 55.98 3kqx s TYR 350 Cb 0.12 -2.17 -0.07 0.00 -0.11 0.00 0.00 41.96 39.73 3kqx s TYR 350 CO 0.40 0.06 1.37 -2.14 -1.11 0.00 0.00 175.55 174.14 3kqx s PRO 351 N 0.76 3.54 0.44 -1.71 0.02 -1.26 -4.84 135.00 131.95 3kqx s PRO 351 Ca 0.05 2.28 -0.25 0.00 0.02 0.00 0.00 61.00 63.10 3kqx s PRO 351 Cb -0.13 -2.52 -0.09 0.00 0.02 0.00 0.00 34.50 31.78 3kqx s PRO 351 CO 0.02 -0.89 1.28 0.09 -0.33 0.00 0.00 177.00 177.18 3kqx n ASN 352 N -0.46 2.58 -3.78 2.53 4.13 -1.26 -4.53 115.26 114.48 3kqx n ASN 352 Ca 0.07 1.09 -0.21 0.00 1.68 0.00 0.00 54.58 57.21 3kqx n ASN 352 Cb 0.44 -1.51 -0.17 0.00 -1.54 0.00 0.00 39.78 36.99 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 -2.29 0.49 -0.26 3.52 -0.14 -1.00 -4.13 119.74 115.92 3kqx s LYS 353 Ca 0.62 0.12 -0.10 0.00 -1.36 0.00 0.00 55.97 55.25 3kqx s LYS 353 Cb -0.49 -0.82 -0.05 0.00 -1.68 0.00 0.00 37.83 34.79 3kqx s LYS 353 CO 0.57 -0.26 0.16 0.12 -0.76 0.00 0.00 175.35 175.18 3kqx s PHE 354 N 1.75 3.23 -0.13 3.18 2.19 -0.32 -2.22 117.98 125.65 3kqx s PHE 354 Ca 0.01 0.07 -0.20 0.00 0.33 0.00 0.00 56.93 57.15 3kqx s PHE 354 Cb -0.13 -2.32 -0.04 0.00 -1.31 0.00 0.00 43.02 39.23 3kqx s PHE 354 CO -0.04 -0.11 0.55 0.42 1.83 0.00 0.00 175.22 177.87 3kqx s ILE 355 N 1.50 5.12 -0.29 3.12 1.01 0.79 -0.54 121.20 131.90 3kqx s ILE 355 Ca 0.07 1.09 -0.03 0.00 0.00 0.00 0.00 60.65 61.78 3kqx s ILE 355 Cb -0.15 -3.89 0.10 0.00 0.01 0.00 0.00 42.46 38.53 3kqx s ILE 355 CO 0.08 0.25 0.11 -2.28 0.00 0.00 0.00 174.94 173.10 3kqx s HIS 356 N 1.04 0.90 0.09 3.97 2.46 -0.70 -1.29 115.29 121.76 3kqx s HIS 356 Ca 0.28 -1.21 0.02 0.00 0.47 0.00 0.00 55.06 54.62 3kqx s HIS 356 Cb -0.16 -1.23 -0.04 0.00 -0.13 0.00 0.00 32.58 31.02 3kqx s HIS 356 CO 0.12 -0.84 0.13 -0.51 -2.47 0.00 0.00 174.74 171.17 3kqx s LEU 357 N 1.90 3.98 -0.04 8.88 1.43 -0.31 -0.93 118.68 133.59 3kqx s LEU 357 Ca 0.09 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3kqx s LEU 357 Cb -0.17 -2.63 0.03 0.00 0.03 0.00 0.00 46.19 43.45 3kqx s LEU 357 CO -0.31 0.16 -0.00 -0.89 0.23 0.00 0.00 176.35 175.54 3kqx s THR 358 N -1.47 0.23 -0.19 5.49 2.01 -0.05 -0.40 115.64 121.26 3kqx s THR 358 Ca 0.31 0.08 -0.12 0.00 0.31 0.00 0.00 61.69 62.28 3kqx s THR 358 Cb -0.12 -0.34 -0.05 0.00 0.01 0.00 0.00 72.50 72.00 3kqx s THR 358 CO 0.24 0.17 0.20 -0.47 -0.69 0.00 0.00 174.62 174.08 3kqx s TYR 359 N 1.18 3.42 -0.09 4.92 5.04 -0.43 -1.68 117.35 129.72 3kqx s TYR 359 Ca -0.07 0.43 0.02 0.00 -2.44 0.00 0.00 57.07 55.00 3kqx s TYR 359 Cb -0.13 -2.25 0.02 0.00 0.35 0.00 0.00 41.96 39.94 3kqx s TYR 359 CO -0.02 0.25 -0.12 0.21 -1.34 0.00 0.00 175.55 174.53 3kqx s LYS 360 N 0.48 1.79 0.65 4.97 2.20 -1.26 -0.71 119.74 127.85 3kqx s LYS 360 Ca 0.12 -0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 55.14 3kqx s LYS 360 Cb -0.12 -1.56 -0.01 0.00 -1.51 0.00 0.00 37.83 34.64 3kqx s LYS 360 CO 0.01 -0.05 1.21 -1.12 -0.36 0.00 0.00 175.35 175.03 3kqx s SER 361 N 0.95 4.82 0.35 1.43 0.01 -0.48 -4.95 113.70 115.83 3kqx s SER 361 Ca -0.09 2.38 0.14 0.00 1.31 0.00 0.00 55.95 59.69 3kqx s SER 361 Cb -0.15 -2.59 0.66 0.00 0.21 0.00 0.00 66.02 64.15 3kqx s SER 361 CO 0.00 -1.85 1.77 0.07 0.41 0.00 0.00 173.24 173.65 3kqx h LYS 362 N 0.42 0.00 0.00 12.44 -0.00 -1.91 -3.46 116.57 124.06 3kqx h LYS 362 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.16 3kqx h LYS 362 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.53 3kqx h LYS 362 CO 0.53 0.42 0.00 0.41 -0.00 0.00 0.00 179.45 180.81 3kqx n GLY 363 N -0.19 0.18 3.75 0.07 0.00 -1.26 -5.00 105.19 102.74 3kqx n GLY 363 Ca -0.01 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 3kqx n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqx s ASP 364 N -1.00 5.38 -0.35 1.61 -0.00 -1.26 -4.88 116.67 116.16 3kqx s ASP 364 Ca 0.00 2.63 -0.16 0.00 -0.00 0.00 0.00 52.55 55.01 3kqx s ASP 364 Cb 0.00 -2.62 -0.01 0.00 -0.00 0.00 0.00 42.92 40.29 3kqx s ASP 364 CO 0.00 -1.48 0.41 -0.69 -0.00 0.00 0.00 175.17 173.41 3kqx s VAL 365 N -1.39 5.11 -0.16 -1.27 1.01 -1.26 -3.77 120.40 118.67 3kqx s VAL 365 Ca 0.72 0.10 0.19 0.00 0.00 0.00 0.00 61.98 62.98 3kqx s VAL 365 Cb -0.37 -3.89 -0.27 0.00 0.00 0.00 0.00 36.38 31.85 3kqx s VAL 365 CO 0.43 -0.16 0.17 0.29 0.00 0.00 0.00 175.10 175.83 3kqx n LYS 366 N 5.51 0.69 -4.27 2.72 5.02 0.27 -4.93 118.16 123.18 3kqx n LYS 366 Ca -0.08 -0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 55.98 3kqx n LYS 366 Cb 0.49 -1.52 -0.15 0.00 -0.02 0.00 0.00 35.03 33.83 3kqx n LYS 366 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kqx s LYS 367 N -2.75 0.65 -0.10 1.97 1.02 -0.99 -5.04 119.74 114.50 3kqx s LYS 367 Ca -0.09 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.68 3kqx s LYS 367 Cb 0.08 -0.63 -0.01 0.00 -0.52 0.00 0.00 37.83 36.75 3kqx s LYS 367 CO 0.85 0.12 -0.19 0.15 -0.92 0.00 0.00 175.35 175.35 3kqx s LYS 368 N 0.02 3.06 -0.03 1.68 1.02 -1.26 -1.43 119.74 122.79 3kqx s LYS 368 Ca 0.00 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.22 3kqx s LYS 368 Cb -0.05 -2.41 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 3kqx s LYS 368 CO -0.00 0.26 -0.11 0.42 -0.92 0.00 0.00 175.35 175.00 3kqx s ILE 369 N 0.18 0.95 -0.18 2.17 1.01 -0.10 0.24 121.20 125.46 3kqx s ILE 369 Ca -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 3kqx s ILE 369 Cb -0.16 -0.84 -0.03 0.00 0.01 0.00 0.00 42.46 41.44 3kqx s ILE 369 CO 0.06 0.29 -0.01 0.00 0.00 0.00 0.00 174.94 175.29 3kqx s ALA 370 N 0.25 3.06 -0.28 9.38 0.00 -0.32 -0.68 121.76 133.18 3kqx s ALA 370 Ca -0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 3kqx s ALA 370 Cb -0.10 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 3kqx s ALA 370 CO 0.01 -0.00 0.10 -0.51 0.00 0.00 0.00 175.76 175.36 3kqx s LEU 371 N 0.73 3.73 -0.17 0.00 1.43 0.70 -1.71 118.68 123.40 3kqx s LEU 371 Ca -0.00 -0.40 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 3kqx s LEU 371 Cb -0.14 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.14 3kqx s LEU 371 CO 0.02 -0.12 -0.14 -0.69 0.23 0.00 0.00 176.35 175.65 3kqx s VAL 372 N 1.59 2.66 -0.07 -1.59 1.01 0.09 -0.75 120.40 123.34 3kqx s VAL 372 Ca 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3kqx s VAL 372 Cb -0.16 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.07 3kqx s VAL 372 CO 0.04 0.51 -0.21 -0.83 0.00 0.00 0.00 175.10 174.61 3kqx s GLY 373 N 1.01 1.38 0.08 4.51 0.00 -0.06 -0.69 107.32 113.55 3kqx s GLY 373 Ca -0.01 -1.01 -0.31 0.00 0.00 0.00 0.00 44.72 43.39 3kqx s GLY 373 CO -0.03 -0.60 1.37 1.25 0.00 0.00 0.00 173.10 175.09 3kqx s LYS 374 N -0.19 4.32 -0.45 2.90 2.20 -0.88 -4.15 119.74 123.50 3kqx s LYS 374 Ca -0.02 2.02 0.09 0.00 -0.36 0.00 0.00 55.97 57.70 3kqx s LYS 374 Cb -0.13 -3.33 0.30 0.00 -1.51 0.00 0.00 37.83 33.15 3kqx s LYS 374 CO 0.03 -0.45 0.69 0.41 -0.36 0.00 0.00 175.35 175.67 3kqx n GLY 375 N 3.50 3.81 3.53 5.54 0.00 -1.26 -1.31 105.19 119.00 3kqx n GLY 375 Ca 0.12 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 3kqx n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqx s ILE 376 N -2.26 4.91 -0.39 -0.61 -1.09 -0.96 -2.23 121.20 118.56 3kqx s ILE 376 Ca 0.39 0.20 0.23 0.00 -2.23 0.00 0.00 60.65 59.25 3kqx s ILE 376 Cb 0.24 -4.11 0.32 0.00 -1.58 0.00 0.00 42.46 37.34 3kqx s ILE 376 CO -0.09 -0.44 1.62 0.71 -1.23 0.00 0.00 174.94 175.51 3kqx h THR 377 N 5.76 0.06 -2.65 2.92 1.35 -1.53 -0.84 112.91 117.98 3kqx h THR 377 Ca -0.26 -1.05 -0.12 0.00 -0.55 0.00 0.00 66.41 64.43 3kqx h THR 377 Cb 1.11 2.00 -0.26 0.00 -1.73 0.00 0.00 68.15 69.26 3kqx h THR 377 CO 0.84 0.03 -0.30 0.12 -0.25 0.00 0.00 175.52 175.97 3kqx s PHE 378 N -3.22 -0.59 -0.45 4.73 5.36 -1.26 -4.41 117.98 118.15 3kqx s PHE 378 Ca 0.06 1.27 -0.06 0.00 -0.96 0.00 0.00 56.93 57.25 3kqx s PHE 378 Cb 0.05 0.26 0.12 0.00 -0.34 0.00 0.00 43.02 43.11 3kqx s PHE 378 CO 0.67 -0.33 0.28 0.34 -1.46 0.00 0.00 175.22 174.71 3kqx s ASP 379 N 1.32 5.46 0.30 6.13 2.15 -1.11 -1.67 116.67 129.24 3kqx s ASP 379 Ca -0.09 -2.02 0.26 0.00 0.43 0.00 0.00 52.55 51.12 3kqx s ASP 379 Cb -0.08 -1.91 0.81 0.00 -0.30 0.00 0.00 42.92 41.44 3kqx s ASP 379 CO -0.12 -0.60 1.75 0.77 -0.17 0.00 0.00 175.17 176.80 3kqx h SER 380 N 8.17 0.00 0.00 -0.34 4.64 -1.76 -3.45 113.55 120.81 3kqx h SER 380 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3kqx h SER 380 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kqx h SER 380 CO 0.77 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3kqx n GLY 381 N 0.87 2.26 7.00 -0.77 0.00 -1.26 -1.37 105.19 111.92 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 -1.85 1.06 0.26 -0.02 0.00 -1.26 -1.74 105.19 101.64 3kqx n GLY 382 Ca 0.00 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.18 1.61 0.05 -1.83 -0.15 116.97 116.47 3kqx h TYR 383 Ca 0.00 0.00 -0.69 0.00 0.05 0.00 0.00 58.73 58.09 3kqx h TYR 383 Cb 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 3kqx h TYR 383 CO 0.00 0.04 3.46 0.09 -1.05 0.00 0.00 178.16 180.70 3kqx n ASN 384 N -4.31 7.33 -4.77 3.88 4.13 -1.21 -4.98 115.26 115.33 3kqx n ASN 384 Ca -0.03 -2.72 -0.40 0.00 1.68 0.00 0.00 54.58 53.11 3kqx n ASN 384 Cb 0.12 -1.56 0.02 0.00 -1.54 0.00 0.00 39.78 36.82 3kqx n ASN 384 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3kqx s LEU 385 N 0.43 4.12 -1.14 3.41 2.96 -0.07 -4.39 118.68 124.00 3kqx s LEU 385 Ca 0.61 2.94 -0.23 0.00 -0.22 0.00 0.00 54.13 57.24 3kqx s LEU 385 Cb 0.17 -3.93 -0.08 0.00 0.50 0.00 0.00 46.19 42.85 3kqx s LEU 385 CO -0.07 -1.18 1.93 -0.54 -1.32 0.00 0.00 176.35 175.17 3kqx s LYS 386 N -2.45 2.52 -0.00 1.98 1.02 -0.47 -4.56 119.74 117.78 3kqx s LYS 386 Ca 0.61 -1.03 0.04 0.00 0.02 0.00 0.00 55.97 55.61 3kqx s LYS 386 Cb -0.44 -5.22 -0.05 0.00 -0.52 0.00 0.00 37.83 31.60 3kqx s LYS 386 CO 0.57 -3.87 0.17 0.00 -0.92 0.00 0.00 175.35 171.30 3kqx n ALA 387 N 14.27 2.47 -1.80 5.17 0.00 -1.26 -4.61 120.51 134.75 3kqx n ALA 387 Ca 0.44 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 3kqx n ALA 387 Cb 0.47 -0.16 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.65 2.93 0.30 0.00 0.00 -1.26 -4.97 121.76 117.11 3kqx s ALA 388 Ca 0.01 0.51 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 3kqx s ALA 388 Cb 0.03 -3.21 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 3kqx s ALA 388 CO 0.18 -0.17 1.46 -0.35 0.00 0.00 0.00 175.76 176.88 3kqx n PRO 389 N -0.92 2.37 -0.35 0.00 -0.04 -1.26 -1.85 135.00 132.95 3kqx n PRO 389 Ca 0.08 0.84 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 3kqx n PRO 389 Cb 0.53 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 3kqx n PRO 389 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kqx n GLY 390 N 1.63 1.28 0.07 0.55 0.00 -1.26 -4.91 105.19 102.54 3kqx n GLY 390 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3kqx n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqx n SER 391 N 0.00 0.61 -3.63 1.61 3.41 -0.77 -4.96 113.62 109.90 3kqx n SER 391 Ca 0.00 0.45 -0.21 0.00 -0.26 0.00 0.00 58.87 58.85 3kqx n SER 391 Cb 0.00 -0.53 0.05 0.00 -0.26 0.00 0.00 64.21 63.47 3kqx n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqx n MET 392 N -2.04 -5.83 0.28 4.33 2.81 -1.26 -4.86 117.12 110.55 3kqx n MET 392 Ca 0.05 0.71 0.13 0.00 -1.81 0.00 0.00 57.70 56.79 3kqx n MET 392 Cb 0.41 -5.50 0.85 0.00 -0.71 0.00 0.00 33.22 28.26 3kqx n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqx h ILE 393 N -1.98 0.64 0.00 2.02 2.10 -1.93 -0.89 117.51 117.47 3kqx h ILE 393 Ca -0.60 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3kqx h ILE 393 Cb 1.36 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3kqx h ILE 393 CO 0.55 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.72 3kqx n ASP 394 N -4.02 0.00 -0.27 2.19 5.75 -1.26 -2.23 116.55 116.70 3kqx n ASP 394 Ca -0.03 0.31 0.12 0.00 -0.01 0.00 0.00 54.79 55.19 3kqx n ASP 394 Cb 0.09 -0.42 0.26 0.00 -1.03 0.00 0.00 41.12 40.02 3kqx n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kqx n LEU 395 N -1.42 1.21 -0.01 -2.12 7.94 -0.34 -4.64 117.00 117.62 3kqx n LEU 395 Ca 0.07 -0.36 0.16 0.00 -1.11 0.00 0.00 56.01 54.77 3kqx n LEU 395 Cb 0.21 -0.10 0.94 0.00 0.53 0.00 0.00 43.42 45.00 3kqx n LEU 395 CO 0.18 0.23 1.10 0.23 -1.11 0.00 0.00 177.39 178.02 3kqx n MET 396 N -0.61 1.00 0.29 1.96 2.81 -0.95 -0.72 117.12 120.90 3kqx n MET 396 Ca 0.11 -0.02 0.18 0.00 -1.81 0.00 0.00 57.70 56.15 3kqx n MET 396 Cb 0.37 -1.50 0.95 0.00 -0.71 0.00 0.00 33.22 32.34 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 0.05 0.00 -0.06 0.03 2.10 -1.82 -2.88 116.57 113.99 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 0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.35 3kqx h LYS 397 CO 0.00 0.00 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kqx n PHE 398 N -2.79 0.07 1.70 0.07 -0.00 0.10 -4.06 117.46 112.56 3kqx n PHE 398 Ca -0.02 -0.03 0.10 0.00 -0.00 0.00 0.00 57.45 57.50 3kqx n PHE 398 Cb 0.13 0.00 0.62 0.00 -0.00 0.00 0.00 39.48 40.23 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 -0.29 0.00 -1.63 5.98 2.03 -1.10 -1.20 116.55 120.33 3kqx n ASP 399 Ca 0.17 -1.05 0.07 0.00 0.52 0.00 0.00 54.79 54.51 3kqx n ASP 399 Cb 0.21 0.00 0.37 0.00 -0.72 0.00 0.00 41.12 40.98 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 -0.89 4.38 -0.31 -0.67 0.00 -0.32 -2.27 117.12 117.04 3kqx n MET 400 Ca 0.16 -3.08 -0.03 0.00 0.00 0.00 0.00 57.70 54.74 3kqx n MET 400 Cb 0.07 -2.16 0.09 0.00 0.00 0.00 0.00 33.22 31.22 3kqx n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqx h SER 401 N 3.43 0.95 -0.31 3.17 0.02 -1.32 -1.47 113.55 118.01 3kqx h SER 401 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3kqx h SER 401 Cb 1.84 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 3kqx h SER 401 CO 0.42 0.68 0.16 1.23 -1.14 0.00 0.00 176.83 178.18 3kqx h GLY 402 N 1.12 0.47 0.71 -3.77 0.00 -1.77 -0.23 103.07 99.59 3kqx h GLY 402 Ca 0.31 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.47 3kqx h GLY 402 CO -0.08 0.21 0.28 0.00 0.00 0.00 0.00 176.54 176.96 3kqx h ALA 404 N 1.30 0.73 -0.86 0.00 0.00 -0.76 -0.37 119.26 119.30 3kqx h ALA 404 Ca 0.24 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3kqx h ALA 404 Cb 0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3kqx h ALA 404 CO -0.17 0.19 0.52 0.00 0.00 0.00 0.00 179.25 179.80 3kqx h ALA 405 N 1.19 1.21 -0.17 0.00 0.00 -0.73 0.93 119.26 121.69 3kqx h ALA 405 Ca 0.21 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.96 3kqx h ALA 405 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3kqx h ALA 405 CO -0.04 0.22 -0.56 0.28 0.00 0.00 0.00 179.25 179.15 3kqx h VAL 406 N 0.92 1.33 -0.22 0.00 2.07 -0.46 -0.11 116.25 119.79 3kqx h VAL 406 Ca 0.39 -1.83 -0.20 0.00 0.82 0.00 0.00 66.70 65.88 3kqx h VAL 406 Cb 0.25 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 3kqx h VAL 406 CO -0.20 0.56 -0.65 -0.07 0.02 0.00 0.00 177.57 177.23 3kqx h LEU 407 N 0.39 0.93 -0.88 2.57 4.07 -0.88 -1.01 115.31 120.49 3kqx h LEU 407 Ca 0.00 -0.54 0.04 0.00 0.08 0.00 0.00 57.88 57.46 3kqx h LEU 407 Cb 1.10 -0.27 -0.06 0.00 1.08 0.00 0.00 40.66 42.52 3kqx h LEU 407 CO 0.10 1.34 0.56 1.23 -1.08 0.00 0.00 178.44 180.59 3kqx h GLY 408 N 0.69 1.29 1.40 0.83 0.00 -0.60 -2.05 103.07 104.62 3kqx h GLY 408 Ca -0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 3kqx h GLY 408 CO 0.14 0.34 0.10 0.00 0.00 0.00 0.00 176.54 177.12 3kqx h ALA 410 N 1.39 0.78 -0.40 0.00 0.00 -0.53 0.10 119.26 120.61 3kqx h ALA 410 Ca 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3kqx h ALA 410 Cb 0.30 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 3kqx h ALA 410 CO 0.00 0.27 -0.06 -0.92 0.00 0.00 0.00 179.25 178.54 3kqx h TYR 411 N 0.83 -0.13 -0.23 0.00 3.20 -1.10 0.36 116.97 119.89 3kqx h TYR 411 Ca 0.22 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 3kqx h TYR 411 Cb -0.01 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3kqx h TYR 411 CO -0.02 -0.14 -0.04 0.00 -1.64 0.00 0.00 178.16 176.33 3kqx h VAL 413 N 0.18 1.23 0.00 0.00 2.07 -0.73 0.12 116.25 119.11 3kqx h VAL 413 Ca 0.06 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3kqx h VAL 413 Cb 0.49 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 3kqx h VAL 413 CO 0.02 0.27 -0.16 1.23 0.02 0.00 0.00 177.57 178.95 3kqx h GLY 414 N 0.87 0.00 0.59 2.17 0.00 -0.14 -0.20 103.07 106.36 3kqx h GLY 414 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.29 3kqx h GLY 414 CO -0.02 0.00 -1.23 -0.84 0.00 0.00 0.00 176.54 174.45 3kqx h THR 415 N 0.00 1.17 0.00 4.70 2.02 -1.00 -3.39 112.91 116.42 3kqx h THR 415 Ca -0.00 -2.44 -0.07 0.00 0.77 0.00 0.00 66.41 64.67 3kqx h THR 415 Cb 0.69 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.94 3kqx h THR 415 CO 0.02 0.70 -0.74 -0.07 0.37 0.00 0.00 175.52 175.80 3kqx h LEU 416 N -0.34 0.00 -2.87 2.58 3.38 -0.89 -3.49 115.31 113.68 3kqx h LEU 416 Ca -0.26 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.47 3kqx h LEU 416 Cb 1.72 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.52 3kqx h LEU 416 CO 0.08 0.29 -0.57 0.29 0.09 0.00 0.00 178.44 178.62 3kqx n LYS 417 N -2.98 -1.46 -1.59 1.13 5.02 -0.09 -4.97 118.16 113.22 3kqx n LYS 417 Ca -0.01 1.01 -0.35 0.00 -2.02 0.00 0.00 58.31 56.94 3kqx n LYS 417 Cb 0.67 -4.66 0.08 0.00 -0.02 0.00 0.00 35.03 31.10 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 -4.31 2.38 0.54 1.97 0.04 -1.26 -5.02 135.00 129.33 3kqx s PRO 418 Ca 0.18 1.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.92 3kqx s PRO 418 Cb -0.05 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 3kqx s PRO 418 CO 0.81 -1.65 0.84 -1.21 0.04 0.00 0.00 177.00 175.82 3kqx s GLU 419 N -3.79 3.19 -0.57 4.56 2.02 -1.26 -4.62 118.70 118.23 3kqx s GLU 419 Ca 0.75 0.04 0.00 0.00 0.02 0.00 0.00 54.97 55.78 3kqx s GLU 419 Cb -0.29 -2.33 0.00 0.00 0.10 0.00 0.00 34.13 31.60 3kqx s GLU 419 CO 0.42 -0.47 0.00 0.09 0.02 0.00 0.00 175.26 175.33 3kqx n ASN 420 N -2.41 -4.93 -4.16 -0.19 3.02 -1.25 -4.98 115.26 100.36 3kqx n ASN 420 Ca 0.03 0.13 -0.15 0.00 -0.03 0.00 0.00 54.58 54.55 3kqx n ASN 420 Cb 0.57 -2.90 -0.11 0.00 -0.61 0.00 0.00 39.78 36.73 3kqx n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kqx s VAL 421 N -1.77 0.93 -0.08 2.41 0.11 -1.26 0.97 120.40 121.71 3kqx s VAL 421 Ca 0.00 -1.44 0.01 0.00 -2.93 0.00 0.00 61.98 57.62 3kqx s VAL 421 Cb 0.00 -1.14 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 3kqx s VAL 421 CO 0.00 -0.42 -0.10 -0.70 -3.33 0.00 0.00 175.10 170.55 3kqx s GLU 422 N -2.26 1.56 -0.10 1.54 2.12 -0.51 -1.38 118.70 119.68 3kqx s GLU 422 Ca 0.01 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.02 3kqx s GLU 422 Cb -0.06 -1.40 0.01 0.00 0.26 0.00 0.00 34.13 32.94 3kqx s GLU 422 CO 0.01 -0.07 -0.16 0.42 -0.54 0.00 0.00 175.26 174.92 3kqx s ILE 423 N 0.99 1.51 -0.18 -3.70 1.01 0.11 -0.93 121.20 120.01 3kqx s ILE 423 Ca -0.09 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.85 3kqx s ILE 423 Cb -0.15 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 3kqx s ILE 423 CO -0.00 0.44 -0.01 -1.00 0.00 0.00 0.00 174.94 174.37 3kqx s HIS 424 N 0.79 3.05 -0.30 3.97 3.76 0.15 -1.32 115.29 125.39 3kqx s HIS 424 Ca -0.11 -0.37 -0.06 0.00 -0.15 0.00 0.00 55.06 54.37 3kqx s HIS 424 Cb -0.16 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.51 3kqx s HIS 424 CO 0.02 -0.14 0.07 -0.06 -0.85 0.00 0.00 174.74 173.78 3kqx s PHE 425 N 0.73 3.17 -0.03 1.40 0.08 0.46 -0.21 117.98 123.57 3kqx s PHE 425 Ca -0.00 -1.15 0.06 0.00 0.12 0.00 0.00 56.93 55.95 3kqx s PHE 425 Cb -0.14 -2.24 -0.01 0.00 -0.57 0.00 0.00 43.02 40.06 3kqx s PHE 425 CO 0.02 -0.63 -0.21 -0.51 -0.10 0.00 0.00 175.22 173.79 3kqx s LEU 426 N 1.46 2.02 -0.14 -0.37 1.43 0.07 -1.16 118.68 121.98 3kqx s LEU 426 Ca 0.01 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3kqx s LEU 426 Cb -0.18 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 44.96 3kqx s LEU 426 CO 0.02 0.23 0.34 -0.55 0.23 0.00 0.00 176.35 176.62 3kqx s SER 427 N -0.30 -0.41 -0.80 2.29 0.15 -0.42 -0.89 113.70 113.33 3kqx s SER 427 Ca 0.03 0.73 -0.19 0.00 0.70 0.00 0.00 55.95 57.22 3kqx s SER 427 Cb -0.10 0.62 0.12 0.00 -1.71 0.00 0.00 66.02 64.95 3kqx s SER 427 CO 0.01 -0.18 0.97 0.00 1.20 0.00 0.00 173.24 175.25 3kqx s ALA 428 N 1.26 3.41 -0.06 5.45 0.00 -1.26 -0.15 121.76 130.41 3kqx s ALA 428 Ca -0.09 -2.56 -0.23 0.00 0.00 0.00 0.00 51.96 49.09 3kqx s ALA 428 Cb -0.09 -3.85 -0.04 0.00 0.00 0.00 0.00 23.12 19.14 3kqx s ALA 428 CO -0.10 -2.74 0.67 0.08 0.00 0.00 0.00 175.76 173.67 3kqx s VAL 429 N 2.65 5.03 0.25 0.00 1.01 -0.94 -4.15 120.40 124.24 3kqx s VAL 429 Ca 0.25 1.38 -0.14 0.00 0.00 0.00 0.00 61.98 63.47 3kqx s VAL 429 Cb -0.11 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.31 3kqx s VAL 429 CO -0.03 0.28 0.71 0.00 0.00 0.00 0.00 175.10 176.06 3kqx s GLU 431 N -2.06 0.66 -0.53 0.00 2.12 -1.26 -1.43 118.70 116.20 3kqx s GLU 431 Ca 0.15 -0.22 -0.12 0.00 0.36 0.00 0.00 54.97 55.15 3kqx s GLU 431 Cb -0.03 -0.64 0.13 0.00 0.26 0.00 0.00 34.13 33.84 3kqx s GLU 431 CO 0.07 0.09 0.43 1.21 -0.54 0.00 0.00 175.26 176.53 3kqx s ASN 432 N 0.14 5.93 0.43 -1.70 2.47 -0.67 -4.43 114.94 117.10 3kqx s ASN 432 Ca -0.02 -1.97 0.05 0.00 0.42 0.00 0.00 52.86 51.35 3kqx s ASN 432 Cb -0.06 -2.09 -0.06 0.00 -1.45 0.00 0.00 41.25 37.59 3kqx s ASN 432 CO -0.00 -0.73 0.02 -0.04 -3.72 0.00 0.00 177.10 172.63 3kqx s MET 433 N 1.30 1.99 -0.21 0.43 -1.94 -1.26 -2.01 119.30 117.60 3kqx s MET 433 Ca 0.06 -2.16 -0.06 0.00 -1.71 0.00 0.00 55.69 51.82 3kqx s MET 433 Cb -0.26 -1.52 -0.03 0.00 2.01 0.00 0.00 34.83 35.03 3kqx s MET 433 CO -0.00 -0.15 0.03 0.08 -0.01 0.00 0.00 175.02 174.97 3kqx s VAL 434 N -2.81 4.16 0.09 -6.03 1.01 -1.26 -4.56 120.40 111.00 3kqx s VAL 434 Ca 0.28 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.76 3kqx s VAL 434 Cb 0.08 -2.90 0.08 0.00 0.00 0.00 0.00 36.38 33.64 3kqx s VAL 434 CO 0.14 0.41 0.81 -0.55 0.00 0.00 0.00 175.10 175.91 3kqx s SER 435 N 1.04 -0.38 0.59 3.32 0.15 -1.26 -4.99 113.70 112.17 3kqx s SER 435 Ca 0.03 -0.12 0.34 0.00 0.70 0.00 0.00 55.95 56.89 3kqx s SER 435 Cb -0.14 0.49 1.82 0.00 -1.71 0.00 0.00 66.02 66.48 3kqx s SER 435 CO 0.02 -0.82 2.20 0.07 1.20 0.00 0.00 173.24 175.90 3kqx h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.98 -2.82 116.57 121.31 3kqx h LYS 436 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3kqx h LYS 436 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3kqx h LYS 436 CO 0.31 0.04 -0.24 0.09 -2.00 0.00 0.00 179.45 177.65 3kqx n ASN 437 N -3.46 0.99 -4.77 7.07 3.02 -1.26 -4.98 115.26 111.86 3kqx n ASN 437 Ca -0.02 -0.87 -0.32 0.00 -0.03 0.00 0.00 54.58 53.34 3kqx n ASN 437 Cb 0.16 0.12 0.07 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.49 4.74 0.79 6.41 0.01 -1.07 -3.59 113.70 118.50 3kqx s SER 438 Ca 0.25 1.90 -0.11 0.00 1.31 0.00 0.00 55.95 59.30 3kqx s SER 438 Cb 0.19 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.96 3kqx s SER 438 CO 0.51 -1.88 1.09 -0.72 0.41 0.00 0.00 173.24 172.66 3kqx s TYR 439 N -2.66 2.60 0.15 2.43 1.13 -1.26 -4.86 117.35 114.89 3kqx s TYR 439 Ca 0.64 1.45 0.11 0.00 -1.41 0.00 0.00 57.07 57.86 3kqx s TYR 439 Cb -0.19 -3.05 -0.04 0.00 -1.10 0.00 0.00 41.96 37.58 3kqx s TYR 439 CO 0.50 -1.85 -0.26 1.03 -2.51 0.00 0.00 175.55 172.46 3kqx s ARG 440 N -4.94 1.45 0.20 -3.49 0.52 -1.26 -4.68 118.95 106.74 3kqx s ARG 440 Ca 0.61 -1.40 -0.33 0.00 -0.52 0.00 0.00 55.73 54.10 3kqx s ARG 440 Cb -0.17 -1.89 -0.14 0.00 0.52 0.00 0.00 34.95 33.27 3kqx s ARG 440 CO 0.56 0.44 1.41 -2.30 0.02 0.00 0.00 175.30 175.43 3kqx n PRO 441 N 0.72 1.88 0.00 3.54 -0.02 -1.26 -0.91 135.00 138.94 3kqx n PRO 441 Ca -0.16 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3kqx n PRO 441 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3kqx n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqx n GLY 442 N 2.48 2.73 3.70 -1.23 0.00 0.17 -5.02 105.19 108.03 3kqx n GLY 442 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 2.31 -4.43 1.61 8.00 -0.09 -4.53 116.55 119.41 3kqx n ASP 443 Ca 0.00 1.01 -0.36 0.00 0.71 0.00 0.00 54.79 56.15 3kqx n ASP 443 Cb 0.00 -1.51 -0.13 0.00 -0.02 0.00 0.00 41.12 39.46 3kqx n ASP 443 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqx s ILE 444 N -1.29 4.05 0.12 0.53 1.01 -1.26 -1.23 121.20 123.14 3kqx s ILE 444 Ca 0.68 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 61.15 3kqx s ILE 444 Cb -0.46 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.11 3kqx s ILE 444 CO 0.53 0.39 -0.23 0.27 0.00 0.00 0.00 174.94 175.90 3kqx s ILE 445 N 1.32 1.94 -0.16 2.92 -4.36 -0.57 -4.92 121.20 117.37 3kqx s ILE 445 Ca 0.04 -1.69 -0.02 0.00 -0.26 0.00 0.00 60.65 58.73 3kqx s ILE 445 Cb -0.15 -1.77 -0.02 0.00 1.25 0.00 0.00 42.46 41.78 3kqx s ILE 445 CO 0.02 -0.05 -0.09 -0.89 0.24 0.00 0.00 174.94 174.17 3kqx s THR 446 N -1.27 3.30 0.73 8.37 2.01 -1.26 -0.41 115.64 127.10 3kqx s THR 446 Ca 0.11 -0.56 -0.11 0.00 0.31 0.00 0.00 61.69 61.44 3kqx s THR 446 Cb -0.09 -2.42 0.04 0.00 0.01 0.00 0.00 72.50 70.03 3kqx s THR 446 CO 0.05 0.50 1.10 0.00 -0.69 0.00 0.00 174.62 175.58 3kqx s ALA 447 N 0.60 2.86 -1.07 7.40 0.00 -0.29 -2.38 121.76 128.89 3kqx s ALA 447 Ca -0.06 -0.50 0.16 0.00 0.00 0.00 0.00 51.96 51.56 3kqx s ALA 447 Cb -0.15 -2.95 0.68 0.00 0.00 0.00 0.00 23.12 20.70 3kqx s ALA 447 CO 0.03 -1.29 1.49 -1.13 0.00 0.00 0.00 175.76 174.86 3kqx n SER 448 N -3.07 0.00 -0.81 0.00 3.41 -1.04 0.07 113.62 112.18 3kqx n SER 448 Ca 0.07 0.43 0.08 0.00 -0.26 0.00 0.00 58.87 59.20 3kqx n SER 448 Cb 0.59 -0.47 0.24 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.47 2.37 0.00 4.04 6.94 -1.26 -4.94 115.26 120.95 3kqx n ASN 449 Ca 0.04 -1.94 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 3kqx n ASN 449 Cb 0.17 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.33 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 1.23 1.49 3.71 4.83 0.00 0.11 -5.03 105.19 111.53 3kqx n GLY 450 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.54 4.33 0.09 1.61 1.02 -1.25 -4.70 119.74 120.31 3kqx s LYS 451 Ca 0.00 2.02 -0.23 0.00 0.02 0.00 0.00 55.97 57.78 3kqx s LYS 451 Cb 0.00 -3.29 -0.07 0.00 -0.52 0.00 0.00 37.83 33.95 3kqx s LYS 451 CO 0.00 -0.42 0.70 -0.08 -0.92 0.00 0.00 175.35 174.63 3kqx s THR 452 N 1.21 4.62 -0.12 2.17 -1.32 -1.26 -1.14 115.64 119.81 3kqx s THR 452 Ca 0.64 1.51 0.02 0.00 -1.21 0.00 0.00 61.69 62.64 3kqx s THR 452 Cb -0.35 -4.05 0.01 0.00 -1.51 0.00 0.00 72.50 66.60 3kqx s THR 452 CO 0.30 0.47 -0.18 -0.63 -2.21 0.00 0.00 174.62 172.37 3kqx s ILE 453 N -0.72 1.74 -0.26 5.08 1.01 0.45 -2.00 121.20 126.50 3kqx s ILE 453 Ca 0.34 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 3kqx s ILE 453 Cb -0.21 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 3kqx s ILE 453 CO 0.22 0.49 0.49 -0.70 0.00 0.00 0.00 174.94 175.44 3kqx s GLU 454 N 0.88 4.06 -0.33 2.79 2.12 -0.30 -1.51 118.70 126.40 3kqx s GLU 454 Ca -0.08 0.27 -0.29 0.00 0.36 0.00 0.00 54.97 55.23 3kqx s GLU 454 Cb -0.15 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.61 3kqx s GLU 454 CO -0.01 -0.33 1.09 0.08 -0.54 0.00 0.00 175.26 175.55 3kqx s VAL 455 N 2.23 4.46 -0.08 3.70 1.01 -0.37 -1.43 120.40 129.93 3kqx s VAL 455 Ca 0.20 1.67 0.20 0.00 0.00 0.00 0.00 61.98 64.05 3kqx s VAL 455 Cb -0.16 -4.42 -0.31 0.00 0.00 0.00 0.00 36.38 31.49 3kqx s VAL 455 CO 0.09 -0.53 0.36 0.61 0.00 0.00 0.00 175.10 175.63 3kqx n GLY 456 N 3.98 -0.98 3.35 4.51 0.00 -1.26 0.45 105.19 115.25 3kqx n GLY 456 Ca 0.12 -0.46 -0.05 0.00 0.00 0.00 0.00 46.02 45.63 3kqx n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqx s ASN 457 N -4.74 -0.56 0.38 1.61 3.84 -1.26 -4.70 114.94 109.51 3kqx s ASN 457 Ca -0.08 1.11 0.28 0.00 0.21 0.00 0.00 52.86 54.37 3kqx s ASN 457 Cb 0.11 1.68 1.28 0.00 -0.55 0.00 0.00 41.25 43.77 3kqx s ASN 457 CO 0.87 -0.23 1.83 0.71 -2.79 0.00 0.00 177.10 177.49 3kqx h THR 458 N 6.11 0.00 0.00 -5.21 1.35 -1.90 -2.04 112.91 111.22 3kqx h THR 458 Ca -0.17 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3kqx h THR 458 Cb 1.11 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 3kqx h THR 458 CO 0.13 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.73 3kqx n ASP 459 N -2.51 0.00 -3.04 5.36 2.03 -0.71 -3.53 116.55 114.15 3kqx n ASP 459 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 3kqx n ASP 459 Cb 0.18 -0.32 0.02 0.00 -0.72 0.00 0.00 41.12 40.27 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 -1.32 6.44 0.15 -1.67 0.00 -0.77 -4.68 120.51 118.66 3kqx n ALA 460 Ca 0.12 -4.07 0.04 0.00 0.00 0.00 0.00 53.44 49.53 3kqx n ALA 460 Cb 0.23 -2.10 0.05 0.00 0.00 0.00 0.00 19.45 17.63 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 3.33 0.00 -0.31 0.00 9.09 -1.78 -3.37 114.58 121.55 3kqx h GLU 461 Ca 0.55 0.00 0.01 0.00 0.05 0.00 0.00 59.36 59.97 3kqx h GLU 461 Cb 0.20 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 3kqx h GLU 461 CO 1.31 0.40 0.19 0.78 0.05 0.00 0.00 179.01 181.73 3kqx h GLY 462 N 3.60 0.43 2.00 1.06 0.00 -1.92 -1.20 103.07 107.04 3kqx h GLY 462 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3kqx h GLY 462 CO 0.05 0.13 -0.03 0.07 0.00 0.00 0.00 176.54 176.76 3kqx h ARG 463 N 0.38 0.00 -0.10 4.80 0.11 -1.95 -1.42 114.38 116.21 3kqx h ARG 463 Ca 0.12 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.08 3kqx h ARG 463 Cb -0.01 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.08 3kqx h ARG 463 CO -0.05 0.03 -0.42 -0.07 0.10 0.00 0.00 179.97 179.56 3kqx h LEU 464 N 0.00 0.54 -0.93 0.08 3.38 -1.41 -1.52 115.31 115.44 3kqx h LEU 464 Ca -0.00 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.24 3kqx h LEU 464 Cb 0.45 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3kqx h LEU 464 CO 0.00 1.08 -0.19 0.71 0.09 0.00 0.00 178.44 180.14 3kqx h THR 465 N 0.02 1.26 0.00 0.22 1.35 -1.20 -2.81 112.91 111.75 3kqx h THR 465 Ca -0.02 -1.19 -0.13 0.00 -0.55 0.00 0.00 66.41 64.51 3kqx h THR 465 Cb 1.06 1.23 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 3kqx h THR 465 CO 0.09 0.39 -0.63 -0.07 -0.25 0.00 0.00 175.52 175.05 3kqx h LEU 466 N 0.51 0.00 -0.43 3.87 3.38 -1.27 -1.97 115.31 119.40 3kqx h LEU 466 Ca 0.08 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3kqx h LEU 466 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 3kqx h LEU 466 CO 0.04 0.63 0.24 0.00 0.09 0.00 0.00 178.44 179.44 3kqx h ALA 467 N 1.37 0.55 -0.19 1.53 0.00 -1.01 0.29 119.26 121.80 3kqx h ALA 467 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 3kqx h ALA 467 Cb 1.16 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kqx h ALA 467 CO 0.08 -0.10 -0.70 -0.44 0.00 0.00 0.00 179.25 178.10 3kqx h ASP 468 N 0.48 0.90 -0.92 0.00 3.32 -1.44 -2.11 116.42 116.64 3kqx h ASP 468 Ca 0.18 -0.55 0.01 0.00 0.02 0.00 0.00 57.03 56.69 3kqx h ASP 468 Cb 0.04 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 3kqx h ASP 468 CO -0.10 1.34 0.61 0.00 -1.72 0.00 0.00 179.24 179.37 3kqx h ALA 469 N 0.66 1.35 -0.54 3.45 0.00 -1.11 -1.08 119.26 121.99 3kqx h ALA 469 Ca -0.03 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3kqx h ALA 469 Cb 1.31 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3kqx h ALA 469 CO 0.14 0.60 -0.07 -0.07 0.00 0.00 0.00 179.25 179.85 3kqx h LEU 470 N 1.24 0.96 -0.57 0.00 3.38 -0.27 -0.04 115.31 120.01 3kqx h LEU 470 Ca 0.34 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kqx h LEU 470 Cb -0.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.34 3kqx h LEU 470 CO -0.08 1.05 0.22 0.58 0.09 0.00 0.00 178.44 180.30 3kqx h VAL 471 N 0.87 1.23 -0.33 1.22 2.07 -0.95 -1.15 116.25 119.21 3kqx h VAL 471 Ca 0.15 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3kqx h VAL 471 Cb 0.60 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3kqx h VAL 471 CO 0.04 0.27 0.18 0.22 0.02 0.00 0.00 177.57 178.31 3kqx h TYR 472 N 0.78 0.34 -0.40 1.57 3.20 -1.05 -2.17 116.97 119.24 3kqx h TYR 472 Ca 0.19 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 3kqx h TYR 472 Cb 0.21 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.36 3kqx h TYR 472 CO 0.01 0.20 0.14 0.00 -1.64 0.00 0.00 178.16 176.86 3kqx h ALA 473 N 1.16 0.52 -0.02 1.82 0.00 -0.73 -2.71 119.26 119.31 3kqx h ALA 473 Ca 0.13 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3kqx h ALA 473 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3kqx h ALA 473 CO -0.07 0.16 -0.25 1.49 0.00 0.00 0.00 179.25 180.57 3kqx h GLU 474 N 0.50 0.03 0.00 0.00 4.81 -1.03 -1.73 114.58 117.16 3kqx h GLU 474 Ca 0.13 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kqx h GLU 474 Cb 0.24 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3kqx h GLU 474 CO -0.01 0.28 0.00 0.87 -0.73 0.00 0.00 179.01 179.43 3kqx h LYS 475 N 0.03 0.00 0.00 1.92 1.57 -1.06 -1.84 116.57 117.18 3kqx h LYS 475 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kqx h LYS 475 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3kqx h LYS 475 CO 0.03 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.84 3kqx h LEU 476 N 0.00 0.00 -1.64 2.94 3.38 -1.21 -3.48 115.31 115.30 3kqx h LEU 476 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kqx h LEU 476 Cb 0.44 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.23 3kqx h LEU 476 CO 0.00 0.00 -0.21 0.61 0.09 0.00 0.00 178.44 178.93 3kqx n GLY 477 N 0.22 0.31 3.96 0.83 0.00 -0.69 -5.05 105.19 104.77 3kqx n GLY 477 Ca 0.02 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.10 3.45 0.03 1.61 -7.23 -1.26 -4.96 120.40 108.94 3kqx s VAL 478 Ca 0.05 -0.51 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 3kqx s VAL 478 Cb -0.02 -3.29 -0.31 0.00 0.56 0.00 0.00 36.38 33.32 3kqx s VAL 478 CO 0.20 -0.22 0.98 0.44 -0.31 0.00 0.00 175.10 176.19 3kqx h ASP 479 N 0.21 0.56 -3.69 4.85 3.32 -0.60 -3.47 116.42 117.60 3kqx h ASP 479 Ca -0.45 -0.66 -0.36 0.00 0.02 0.00 0.00 57.03 55.58 3kqx h ASP 479 Cb 1.27 -0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.32 3kqx h ASP 479 CO 0.56 1.53 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.54 3kqx s TYR 480 N -2.62 0.56 -0.16 4.55 2.02 -1.09 -4.07 117.35 116.53 3kqx s TYR 480 Ca -0.08 -0.12 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3kqx s TYR 480 Cb 0.06 -0.46 -0.01 0.00 -0.40 0.00 0.00 41.96 41.15 3kqx s TYR 480 CO 0.89 -0.09 -0.11 0.42 -1.57 0.00 0.00 175.55 175.09 3kqx s ILE 481 N 0.43 3.07 -0.12 2.71 1.01 -0.76 -1.17 121.20 126.38 3kqx s ILE 481 Ca -0.05 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 59.99 3kqx s ILE 481 Cb -0.09 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.07 3kqx s ILE 481 CO -0.00 0.50 -0.17 -0.69 0.00 0.00 0.00 174.94 174.58 3kqx s VAL 482 N 0.76 1.63 0.15 2.92 1.01 -0.69 -1.19 120.40 124.98 3kqx s VAL 482 Ca -0.04 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.28 3kqx s VAL 482 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3kqx s VAL 482 CO 0.01 0.47 0.03 1.51 0.00 0.00 0.00 175.10 177.12 3kqx s ASP 483 N 1.01 5.01 -0.01 3.32 1.47 -0.11 -0.73 116.67 126.62 3kqx s ASP 483 Ca -0.05 -0.27 0.01 0.00 1.18 0.00 0.00 52.55 53.42 3kqx s ASP 483 Cb -0.15 -1.16 0.01 0.00 -0.34 0.00 0.00 42.92 41.28 3kqx s ASP 483 CO -0.03 0.11 -0.03 -0.51 0.68 0.00 0.00 175.17 175.39 3kqx s ILE 484 N -1.61 0.31 -0.27 2.11 2.07 0.13 -0.97 121.20 122.97 3kqx s ILE 484 Ca 0.28 -0.11 -0.25 0.00 -1.41 0.00 0.00 60.65 59.16 3kqx s ILE 484 Cb -0.10 -0.30 0.10 0.00 0.13 0.00 0.00 42.46 42.28 3kqx s ILE 484 CO 0.20 0.12 0.88 0.00 -1.91 0.00 0.00 174.94 174.22 3kqx s ALA 485 N 0.27 -1.88 -1.36 1.50 0.00 -0.55 -2.07 121.76 117.68 3kqx s ALA 485 Ca -0.03 1.92 -0.15 0.00 0.00 0.00 0.00 51.96 53.70 3kqx s ALA 485 Cb -0.06 -1.26 0.08 0.00 0.00 0.00 0.00 23.12 21.88 3kqx s ALA 485 CO -0.00 -0.29 1.93 0.25 0.00 0.00 0.00 175.76 177.64 3kqx n THR 486 N 2.35 3.81 -0.09 0.00 -2.24 -1.26 -0.18 114.28 116.67 3kqx n THR 486 Ca -0.13 -3.74 -0.15 0.00 -2.27 0.00 0.00 64.05 57.75 3kqx n THR 486 Cb 0.56 -2.47 -0.08 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 10.85 0.00 -8.08 3.22 5.85 -1.91 -3.43 115.31 121.81 3kqx h LEU 487 Ca 0.48 -0.36 -0.53 0.00 0.84 0.00 0.00 57.88 58.32 3kqx h LEU 487 Cb 0.75 0.00 -0.32 0.00 0.37 0.00 0.00 40.66 41.46 3kqx h LEU 487 CO 1.63 1.20 -0.82 0.42 -0.34 0.00 0.00 178.44 180.53 3kqx s THR 488 N -2.29 1.24 0.61 1.05 -4.23 -1.26 -4.97 115.64 105.78 3kqx s THR 488 Ca -0.23 -0.57 0.32 0.00 -1.18 0.00 0.00 61.69 60.03 3kqx s THR 488 Cb 0.04 -1.10 0.37 0.00 1.34 0.00 0.00 72.50 73.15 3kqx s THR 488 CO 0.46 0.37 2.24 1.23 -0.54 0.00 0.00 174.62 178.38 3kqx h GLY 489 N 6.66 0.00 1.53 3.99 0.00 -1.93 -2.58 103.07 110.74 3kqx h GLY 489 Ca -0.31 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.06 3kqx h GLY 489 CO 0.48 0.00 0.19 0.00 0.00 0.00 0.00 176.54 177.21 3kqx h ALA 490 N 1.94 1.71 -1.01 3.60 0.00 -1.96 -2.11 119.26 121.44 3kqx h ALA 490 Ca 0.01 -0.01 0.26 0.00 0.00 0.00 0.00 54.91 55.18 3kqx h ALA 490 Cb 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.82 3kqx h ALA 490 CO -0.00 -0.27 0.67 0.52 0.00 0.00 0.00 179.25 180.17 3kqx h MET 491 N 0.00 0.31 0.00 0.00 2.86 -1.85 0.25 114.93 116.50 3kqx h MET 491 Ca 0.07 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.66 3kqx h MET 491 Cb 0.45 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 3kqx h MET 491 CO -0.00 0.20 -0.15 -0.07 1.06 0.00 0.00 176.91 177.95 3kqx h LEU 492 N 0.32 0.00 0.00 1.22 3.38 -1.60 -0.36 115.31 118.27 3kqx h LEU 492 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.51 3kqx h LEU 492 Cb 1.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.27 3kqx h LEU 492 CO -0.20 0.15 -0.92 -1.22 0.09 0.00 0.00 178.44 176.34 3kqx n TYR 493 N -3.83 0.67 -0.06 1.13 4.02 0.84 -3.42 117.16 116.51 3kqx n TYR 493 Ca -0.02 0.20 -0.06 0.00 -0.01 0.00 0.00 57.90 58.00 3kqx n TYR 493 Cb 0.25 -0.75 -0.02 0.00 -0.02 0.00 0.00 39.34 38.80 3kqx n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqx n SER 494 N -2.35 1.40 -0.01 7.72 3.41 -0.88 -4.84 113.62 118.08 3kqx n SER 494 Ca 0.01 0.27 0.08 0.00 -0.26 0.00 0.00 58.87 58.97 3kqx n SER 494 Cb 0.49 -0.68 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 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 -3.93 0.11 0.00 1.04 4.77 -0.45 -5.10 117.00 113.43 3kqx n LEU 495 Ca -0.10 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3kqx n LEU 495 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3kqx n LEU 495 CO 0.15 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3kqx n GLY 496 N 1.59 -0.53 0.47 -0.72 0.00 -0.27 -4.33 105.19 101.40 3kqx n GLY 496 Ca -0.02 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.08 2.61 -2.24 -1.26 -4.33 114.28 108.99 3kqx n THR 497 Ca 0.00 -0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 3kqx n THR 497 Cb 0.00 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.11 3kqx n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqx n SER 498 N -0.07 2.01 -4.46 3.42 7.64 -1.26 -4.33 113.62 116.57 3kqx n SER 498 Ca 0.11 0.14 -0.33 0.00 1.01 0.00 0.00 58.87 59.80 3kqx n SER 498 Cb 0.44 -0.72 -0.13 0.00 -1.01 0.00 0.00 64.21 62.79 3kqx n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqx s TYR 499 N -2.51 2.81 0.64 1.43 4.12 -1.26 -4.57 117.35 118.01 3kqx s TYR 499 Ca -0.30 -0.31 -0.08 0.00 0.02 0.00 0.00 57.07 56.39 3kqx s TYR 499 Cb 0.09 -1.75 0.01 0.00 -1.52 0.00 0.00 41.96 38.78 3kqx s TYR 499 CO 0.64 0.05 0.98 0.00 0.02 0.00 0.00 175.55 177.24 3kqx s ALA 500 N -0.25 3.14 -0.04 3.71 0.00 -0.59 -4.59 121.76 123.15 3kqx s ALA 500 Ca 0.02 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3kqx s ALA 500 Cb -0.13 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 3kqx s ALA 500 CO 0.03 -0.94 0.06 0.20 0.00 0.00 0.00 175.76 175.11 3kqx s GLY 501 N -4.33 1.97 -0.05 0.00 0.00 -1.13 -0.77 107.32 103.01 3kqx s GLY 501 Ca 0.56 -0.83 0.06 0.00 0.00 0.00 0.00 44.72 44.51 3kqx s GLY 501 CO 0.48 -0.66 -0.25 0.54 0.00 0.00 0.00 173.10 173.21 3kqx s VAL 502 N -1.07 2.07 0.14 1.40 0.11 -0.45 -1.09 120.40 121.50 3kqx s VAL 502 Ca 0.19 -1.07 0.07 0.00 -2.93 0.00 0.00 61.98 58.24 3kqx s VAL 502 Cb -0.12 -1.74 -0.04 0.00 -1.53 0.00 0.00 36.38 32.96 3kqx s VAL 502 CO 0.09 0.57 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.92 3kqx s PHE 503 N -0.23 1.55 0.05 1.54 0.08 0.60 -1.01 117.98 120.57 3kqx s PHE 503 Ca -0.02 -0.53 -0.28 0.00 0.12 0.00 0.00 56.93 56.22 3kqx s PHE 503 Cb -0.13 -0.79 0.10 0.00 -0.57 0.00 0.00 43.02 41.62 3kqx s PHE 503 CO 0.03 0.21 1.17 0.20 -0.10 0.00 0.00 175.22 176.73 3kqx s GLY 504 N -2.58 -0.27 0.00 4.36 0.00 -1.26 0.10 107.32 107.66 3kqx s GLY 504 Ca 0.12 0.35 0.18 0.00 0.00 0.00 0.00 44.72 45.36 3kqx s GLY 504 CO 0.04 0.98 1.32 1.16 0.00 0.00 0.00 173.10 176.60 3kqx n ASN 505 N -0.64 3.23 -3.51 1.64 0.23 -0.58 -4.79 115.26 110.85 3kqx n ASN 505 Ca -0.06 -1.93 -0.14 0.00 -0.53 0.00 0.00 54.58 51.92 3kqx n ASN 505 Cb 0.61 -0.27 -0.12 0.00 -2.08 0.00 0.00 39.78 37.93 3kqx n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqx s ASN 506 N -1.14 0.74 0.25 0.53 3.84 -1.26 -4.87 114.94 113.04 3kqx s ASN 506 Ca 0.33 0.16 -0.04 0.00 0.21 0.00 0.00 52.86 53.52 3kqx s ASN 506 Cb 0.18 0.69 0.34 0.00 -0.55 0.00 0.00 41.25 41.92 3kqx s ASN 506 CO 0.25 -0.29 1.89 -0.08 -2.79 0.00 0.00 177.10 176.07 3kqx h GLU 507 N 8.27 1.15 -0.27 0.43 4.22 -1.96 -0.52 114.58 125.90 3kqx h GLU 507 Ca -0.17 -0.07 -0.18 0.00 0.08 0.00 0.00 59.36 59.02 3kqx h GLU 507 Cb 1.14 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3kqx h GLU 507 CO 0.23 0.76 -0.55 0.93 -2.18 0.00 0.00 179.01 178.20 3kqx h GLU 508 N 1.18 0.82 -0.35 1.92 3.07 -1.99 0.11 114.58 119.34 3kqx h GLU 508 Ca 0.40 -0.52 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 3kqx h GLU 508 Cb 0.07 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3kqx h GLU 508 CO -0.14 1.15 0.10 1.25 -1.40 0.00 0.00 179.01 179.97 3kqx h LEU 509 N 0.63 0.53 -0.19 1.33 5.85 -1.89 -1.66 115.31 119.90 3kqx h LEU 509 Ca 0.01 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3kqx h LEU 509 Cb 1.15 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 3kqx h LEU 509 CO 0.12 0.61 -0.08 0.40 -0.34 0.00 0.00 178.44 179.15 3kqx h ILE 510 N 0.42 0.74 -0.83 4.05 2.04 -0.84 -1.08 117.51 122.01 3kqx h ILE 510 Ca 0.11 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.14 3kqx h ILE 510 Cb 0.28 0.74 -0.10 0.00 -0.74 0.00 0.00 36.82 37.00 3kqx h ILE 510 CO -0.00 0.00 0.37 0.78 0.00 0.00 0.00 178.15 179.30 3kqx h ASN 511 N -0.04 0.37 -0.70 1.72 2.35 -0.64 -0.26 115.58 118.37 3kqx h ASN 511 Ca 0.10 0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3kqx h ASN 511 Cb 0.20 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3kqx h ASN 511 CO -0.23 0.11 0.23 0.11 -1.65 0.00 0.00 177.43 176.01 3kqx h LYS 512 N 0.48 1.09 -0.18 0.81 1.57 -0.71 -1.26 116.57 118.38 3kqx h LYS 512 Ca 0.47 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3kqx h LYS 512 Cb 0.76 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 3kqx h LYS 512 CO -0.43 0.92 0.11 0.82 -0.57 0.00 0.00 179.45 180.30 3kqx h ILE 513 N 1.05 1.07 -0.76 1.86 1.08 -0.42 -1.25 117.51 120.15 3kqx h ILE 513 Ca 0.23 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.51 3kqx h ILE 513 Cb 0.28 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 34.84 3kqx h ILE 513 CO -0.01 0.06 0.35 -0.07 -0.69 0.00 0.00 178.15 177.79 3kqx h LEU 514 N 0.22 0.99 -0.50 1.44 3.38 -0.87 0.44 115.31 120.42 3kqx h LEU 514 Ca 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3kqx h LEU 514 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3kqx h LEU 514 CO -0.01 0.85 0.26 -0.61 0.09 0.00 0.00 178.44 179.02 3kqx h GLN 515 N 1.08 0.70 -0.37 1.13 5.75 -1.14 -2.10 115.11 120.15 3kqx h GLN 515 Ca 0.26 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.63 3kqx h GLN 515 Cb 0.13 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 3kqx h GLN 515 CO -0.03 0.56 0.08 0.77 -2.65 0.00 0.00 178.83 177.56 3kqx h SER 516 N 0.66 0.51 -0.37 -0.69 0.02 -0.76 -0.96 113.55 111.95 3kqx h SER 516 Ca 0.17 -0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 3kqx h SER 516 Cb 0.07 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3kqx h SER 516 CO -0.03 0.53 0.22 -1.28 -1.14 0.00 0.00 176.83 175.13 3kqx h SER 517 N 0.54 0.35 -0.55 3.07 0.87 -0.58 -0.40 113.55 116.85 3kqx h SER 517 Ca 0.12 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3kqx h SER 517 Cb 0.23 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.10 3kqx h SER 517 CO -0.00 0.26 0.29 0.11 -0.53 0.00 0.00 176.83 176.95 3kqx h LYS 518 N 0.44 0.78 0.00 2.24 1.79 -0.75 -1.31 116.57 119.76 3kqx h LYS 518 Ca 0.15 -0.10 -0.15 0.00 -2.18 0.00 0.00 60.65 58.36 3kqx h LYS 518 Cb 0.00 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 3kqx h LYS 518 CO -0.07 0.62 -0.73 1.79 -1.08 0.00 0.00 179.45 179.98 3kqx h THR 519 N 0.75 1.27 -0.00 -0.16 1.35 -1.16 -3.11 112.91 111.84 3kqx h THR 519 Ca 0.19 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.27 3kqx h THR 519 Cb 0.08 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 3kqx h THR 519 CO -0.03 0.72 -0.24 -1.54 -0.25 0.00 0.00 175.52 174.18 3kqx n SER 520 N -3.29 0.45 -2.04 5.36 3.41 -0.16 -4.93 113.62 112.42 3kqx n SER 520 Ca 0.01 -0.27 -0.17 0.00 -0.26 0.00 0.00 58.87 58.18 3kqx n SER 520 Cb 0.83 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.72 3kqx n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqx n ASN 521 N -1.22 -4.80 -4.21 4.04 3.02 -0.52 -4.83 115.26 106.73 3kqx n ASN 521 Ca 0.09 0.22 -0.39 0.00 -0.03 0.00 0.00 54.58 54.47 3kqx n ASN 521 Cb 0.32 -4.15 -0.10 0.00 -0.61 0.00 0.00 39.78 35.24 3kqx n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqx s GLU 522 N -4.39 2.42 0.26 3.52 2.02 -1.08 -5.01 118.70 116.44 3kqx s GLU 522 Ca 0.00 -1.61 -0.30 0.00 0.02 0.00 0.00 54.97 53.09 3kqx s GLU 522 Cb 0.00 -3.73 -0.09 0.00 0.10 0.00 0.00 34.13 30.40 3kqx s GLU 522 CO 0.00 -1.02 1.10 -1.25 0.02 0.00 0.00 175.26 174.11 3kqx s PRO 523 N 1.33 4.64 0.05 0.39 0.04 -1.26 -4.53 135.00 135.66 3kqx s PRO 523 Ca 0.04 1.78 0.02 0.00 0.04 0.00 0.00 61.00 62.88 3kqx s PRO 523 Cb -0.24 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.07 3kqx s PRO 523 CO -0.00 0.20 -0.07 0.08 0.04 0.00 0.00 177.00 177.25 3kqx s VAL 524 N -1.01 0.49 -0.02 -0.36 1.01 -1.26 -1.54 120.40 117.71 3kqx s VAL 524 Ca 0.45 -1.23 0.03 0.00 0.00 0.00 0.00 61.98 61.23 3kqx s VAL 524 Cb -0.31 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 3kqx s VAL 524 CO 0.40 -0.51 -0.11 0.86 0.00 0.00 0.00 175.10 175.74 3kqx s TRP 525 N -1.88 1.07 -0.03 5.22 -0.11 0.05 -4.89 118.94 118.36 3kqx s TRP 525 Ca -0.06 -0.25 -0.30 0.00 1.22 0.00 0.00 56.10 56.71 3kqx s TRP 525 Cb -0.07 -0.73 -0.04 0.00 -1.50 0.00 0.00 33.47 31.13 3kqx s TRP 525 CO -0.01 -0.08 1.28 -0.46 -4.62 0.00 0.00 176.95 173.06 3kqx s TRP 526 N 0.02 3.04 0.11 5.86 -0.00 -1.26 -1.34 118.94 125.37 3kqx s TRP 526 Ca -0.01 1.05 0.10 0.00 -0.00 0.00 0.00 56.10 57.24 3kqx s TRP 526 Cb -0.07 -3.52 -0.04 0.00 -0.00 0.00 0.00 33.47 29.83 3kqx s TRP 526 CO 0.00 -1.79 -0.22 -0.51 -0.00 0.00 0.00 176.95 174.43 3kqx s LEU 527 N 2.31 2.49 0.36 5.86 1.43 -0.18 -4.90 118.68 126.05 3kqx s LEU 527 Ca 0.59 -0.63 -0.10 0.00 -1.03 0.00 0.00 54.13 52.97 3kqx s LEU 527 Cb -0.27 -1.39 -0.06 0.00 0.03 0.00 0.00 46.19 44.50 3kqx s LEU 527 CO 0.24 0.19 0.70 -2.16 0.23 0.00 0.00 176.35 175.55 3kqx s PRO 528 N -1.96 3.77 -0.63 1.29 0.04 -1.26 -4.40 135.00 131.85 3kqx s PRO 528 Ca 0.15 0.36 -0.19 0.00 0.04 0.00 0.00 61.00 61.37 3kqx s PRO 528 Cb -0.10 -2.48 0.11 0.00 0.04 0.00 0.00 34.50 32.07 3kqx s PRO 528 CO 0.07 0.07 0.75 0.42 0.04 0.00 0.00 177.00 178.36 3kqx s ILE 529 N -2.22 4.82 -0.51 0.56 1.01 -1.26 -4.79 121.20 118.80 3kqx s ILE 529 Ca 0.49 -1.06 -0.24 0.00 0.00 0.00 0.00 60.65 59.84 3kqx s ILE 529 Cb -0.10 -4.52 0.04 0.00 0.01 0.00 0.00 42.46 37.88 3kqx s ILE 529 CO 0.29 -1.17 0.91 -0.63 0.00 0.00 0.00 174.94 174.33 3kqx s ILE 530 N 2.66 4.46 0.47 2.92 1.01 -1.26 -4.92 121.20 126.53 3kqx s ILE 530 Ca 0.14 0.42 0.31 0.00 0.00 0.00 0.00 60.65 61.52 3kqx s ILE 530 Cb -0.22 -4.47 0.34 0.00 0.01 0.00 0.00 42.46 38.12 3kqx s ILE 530 CO 0.05 -0.97 2.15 0.78 0.00 0.00 0.00 174.94 176.95 3kqx h ASN 531 N 9.19 0.00 -0.21 3.58 2.35 -2.00 -2.18 115.58 126.31 3kqx h ASN 531 Ca -0.25 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.56 3kqx h ASN 531 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3kqx h ASN 531 CO 1.05 0.07 0.23 -0.08 -1.65 0.00 0.00 177.43 177.05 3kqx h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.05 -1.26 114.58 116.90 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 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3kqx h GLU 532 CO 0.01 0.00 -0.08 0.66 -0.73 0.00 0.00 179.01 178.87 3kqx n TYR 533 N -3.81 0.00 -0.35 0.92 0.53 -0.82 -4.18 117.16 109.45 3kqx n TYR 533 Ca 0.02 0.00 -0.02 0.00 -1.02 0.00 0.00 57.90 56.89 3kqx n TYR 533 Cb 0.36 -0.44 0.11 0.00 -1.03 0.00 0.00 39.34 38.34 3kqx n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqx h ARG 534 N 0.02 1.20 -0.41 -0.72 9.65 -1.38 -1.90 114.38 120.83 3kqx h ARG 534 Ca 0.00 -0.07 0.12 0.00 -1.10 0.00 0.00 59.98 58.93 3kqx h ARG 534 Cb 0.48 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 3kqx h ARG 534 CO 0.00 0.79 0.39 0.00 2.80 0.00 0.00 179.97 183.96 3kqx h ALA 535 N 1.36 2.17 0.00 2.80 0.00 -1.79 -0.02 119.26 123.79 3kqx h ALA 535 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3kqx h ALA 535 Cb -0.08 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3kqx h ALA 535 CO -0.10 -0.60 0.00 0.00 0.00 0.00 0.00 179.25 178.55 3kqx h THR 536 N 0.00 0.00 -0.23 0.00 1.03 -1.64 -1.68 112.91 110.40 3kqx h THR 536 Ca 0.20 -0.19 0.00 0.00 -0.01 0.00 0.00 66.41 66.40 3kqx h THR 536 Cb 0.98 0.90 0.00 0.00 -1.07 0.00 0.00 68.15 68.96 3kqx h THR 536 CO -0.00 0.00 0.00 0.18 -0.01 0.00 0.00 175.52 175.69 3kqx n LEU 537 N -2.39 2.40 -4.55 0.00 4.77 -0.02 -4.54 117.00 112.67 3kqx n LEU 537 Ca 0.01 -0.99 -0.35 0.00 -0.03 0.00 0.00 56.01 54.64 3kqx n LEU 537 Cb 0.18 -0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3kqx n LEU 537 CO 0.18 0.50 1.46 0.20 -1.33 0.00 0.00 177.39 178.39 3kqx s ASN 538 N -1.59 5.45 0.35 -1.43 0.01 -0.63 -0.28 114.94 116.82 3kqx s ASN 538 Ca 0.34 -0.26 -0.28 0.00 -0.71 0.00 0.00 52.86 51.96 3kqx s ASN 538 Cb 0.20 -2.55 -0.10 0.00 0.41 0.00 0.00 41.25 39.21 3kqx s ASN 538 CO 0.29 -2.36 1.36 -0.55 -1.51 0.00 0.00 177.10 174.33 3kqx s SER 539 N 7.26 6.59 0.45 -1.22 0.15 -1.26 -4.86 113.70 120.81 3kqx s SER 539 Ca 0.62 2.78 0.12 0.00 0.70 0.00 0.00 55.95 60.18 3kqx s SER 539 Cb -0.09 -2.65 1.02 0.00 -1.71 0.00 0.00 66.02 62.59 3kqx s SER 539 CO 0.10 -0.67 2.05 0.50 1.20 0.00 0.00 173.24 176.42 3kqx h LYS 540 N 3.17 0.18 0.00 5.44 1.63 -1.97 -3.39 116.57 121.63 3kqx h LYS 540 Ca -0.50 -0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 59.21 3kqx h LYS 540 Cb 1.23 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 3kqx h LYS 540 CO 0.65 0.20 -1.27 0.66 -3.45 0.00 0.00 179.45 176.24 3kqx n TYR 541 N -4.43 0.00 -2.48 1.91 4.01 -1.26 -5.06 117.16 109.84 3kqx n TYR 541 Ca -0.01 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.49 3kqx n TYR 541 Cb 0.14 -0.18 0.10 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.09 3.52 0.31 -0.72 0.00 -1.26 -5.00 121.76 116.52 3kqx s ALA 542 Ca -0.06 -1.51 -0.01 0.00 0.00 0.00 0.00 51.96 50.37 3kqx s ALA 542 Cb 0.02 -2.17 0.48 0.00 0.00 0.00 0.00 23.12 21.46 3kqx s ALA 542 CO 0.10 -1.42 1.96 -0.44 0.00 0.00 0.00 175.76 175.96 3kqx h ASP 543 N -0.55 0.88 -5.00 0.00 3.32 -1.73 -3.40 116.42 109.93 3kqx h ASP 543 Ca -0.39 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.55 3kqx h ASP 543 Cb 1.27 -0.22 -0.19 0.00 0.22 0.00 0.00 39.33 40.42 3kqx h ASP 543 CO 0.44 0.66 0.04 -0.51 -1.72 0.00 0.00 179.24 178.15 3kqx s ILE 544 N -5.80 0.02 0.32 0.35 2.07 -0.86 -4.53 121.20 112.76 3kqx s ILE 544 Ca -0.11 -0.17 -0.18 0.00 -1.41 0.00 0.00 60.65 58.78 3kqx s ILE 544 Cb 0.18 -0.90 -0.09 0.00 0.13 0.00 0.00 42.46 41.78 3kqx s ILE 544 CO 0.79 -0.09 0.79 0.20 -1.91 0.00 0.00 174.94 174.71 3kqx s ASN 545 N -1.39 6.92 0.15 4.50 0.01 0.62 -1.15 114.94 124.59 3kqx s ASN 545 Ca -0.10 1.43 -0.06 0.00 -0.71 0.00 0.00 52.86 53.41 3kqx s ASN 545 Cb -0.01 -2.43 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 3kqx s ASN 545 CO 0.06 -0.16 1.41 -0.61 -1.51 0.00 0.00 177.10 176.28 3kqx h GLN 546 N 2.55 0.60 -5.02 -0.60 4.15 -1.57 -3.46 115.11 111.76 3kqx h GLN 546 Ca -0.48 -0.46 -0.37 0.00 0.77 0.00 0.00 58.65 58.11 3kqx h GLN 546 Cb 1.18 0.08 -0.14 0.00 0.21 0.00 0.00 27.48 28.81 3kqx h GLN 546 CO 0.65 1.08 -0.64 0.96 -1.93 0.00 0.00 178.83 178.95 3kqx s ILE 547 N -3.78 0.88 0.12 2.39 -4.36 -1.26 -4.92 121.20 110.27 3kqx s ILE 547 Ca -0.08 -2.01 -0.13 0.00 -0.26 0.00 0.00 60.65 58.16 3kqx s ILE 547 Cb 0.10 -2.47 -0.07 0.00 1.25 0.00 0.00 42.46 41.27 3kqx s ILE 547 CO 0.87 -0.20 0.51 -0.55 0.24 0.00 0.00 174.94 175.81 3kqx s SER 548 N -3.32 6.79 0.05 4.36 0.15 -1.26 -4.79 113.70 115.67 3kqx s SER 548 Ca 0.32 1.01 0.22 0.00 0.70 0.00 0.00 55.95 58.20 3kqx s SER 548 Cb 0.07 -2.26 -0.08 0.00 -1.71 0.00 0.00 66.02 62.03 3kqx s SER 548 CO 0.11 0.13 0.88 -1.54 1.20 0.00 0.00 173.24 174.01 3kqx n SER 549 N 0.88 0.52 -0.08 5.45 3.41 -1.26 -4.73 113.62 117.80 3kqx n SER 549 Ca -0.06 -0.13 -0.15 0.00 -0.26 0.00 0.00 58.87 58.27 3kqx n SER 549 Cb 0.52 1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 65.47 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 -2.12 1.78 -4.69 4.04 3.41 -1.26 -5.03 113.62 109.75 3kqx n SER 550 Ca 0.00 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.28 3kqx n SER 550 Cb 0.48 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.30 3.59 -0.71 -3.33 1.01 -1.26 -4.94 120.40 112.46 3kqx s VAL 551 Ca -0.22 1.01 0.25 0.00 0.00 0.00 0.00 61.98 63.01 3kqx s VAL 551 Cb 0.08 -3.65 0.12 0.00 0.00 0.00 0.00 36.38 32.93 3kqx s VAL 551 CO 0.31 0.01 1.49 0.29 0.00 0.00 0.00 175.10 177.20 3kqx n LYS 552 N 5.24 0.25 -1.57 2.72 5.02 -1.26 -4.55 118.16 124.01 3kqx n LYS 552 Ca 0.13 0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 56.12 3kqx n LYS 552 Cb 0.43 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.78 3.89 0.18 7.82 0.00 -1.26 -4.76 120.51 124.60 3kqx n ALA 553 Ca 0.04 -3.51 0.02 0.00 0.00 0.00 0.00 53.44 49.99 3kqx n ALA 553 Cb 0.43 -3.59 0.34 0.00 0.00 0.00 0.00 19.45 16.63 3kqx n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqx h SER 554 N 7.46 0.00 -0.14 0.00 4.64 -1.98 -1.70 113.55 121.82 3kqx h SER 554 Ca 0.45 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.69 3kqx h SER 554 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3kqx h SER 554 CO 1.81 0.40 -0.15 0.28 -0.87 0.00 0.00 176.83 178.29 3kqx h SER 555 N 0.00 0.51 -0.07 4.97 0.02 -1.95 0.18 113.55 117.22 3kqx h SER 555 Ca -0.00 -0.15 -0.19 0.00 -0.84 0.00 0.00 61.79 60.61 3kqx h SER 555 Cb 0.71 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.13 3kqx h SER 555 CO 0.05 0.69 -0.68 0.40 -1.14 0.00 0.00 176.83 176.15 3kqx h ILE 556 N 0.48 1.35 -0.38 3.27 2.04 -1.74 -2.41 117.51 120.12 3kqx h ILE 556 Ca 0.08 -2.00 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 3kqx h ILE 556 Cb 0.55 2.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 3kqx h ILE 556 CO 0.03 0.61 0.20 0.58 0.00 0.00 0.00 178.15 179.57 3kqx h VAL 557 N 0.20 1.15 -0.85 1.67 2.07 -0.96 0.16 116.25 119.69 3kqx h VAL 557 Ca -0.07 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.15 3kqx h VAL 557 Cb 1.35 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.78 3kqx h VAL 557 CO 0.14 0.16 0.55 0.00 0.02 0.00 0.00 177.57 178.44 3kqx h ALA 558 N 1.06 1.72 -0.21 1.67 0.00 -0.71 -0.92 119.26 121.87 3kqx h ALA 558 Ca 0.13 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3kqx h ALA 558 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3kqx h ALA 558 CO -0.02 0.09 -0.52 0.77 0.00 0.00 0.00 179.25 179.58 3kqx h SER 559 N 0.79 0.65 -0.76 0.00 0.02 -0.69 -1.50 113.55 112.05 3kqx h SER 559 Ca 0.40 -0.33 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3kqx h SER 559 Cb 0.48 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 3kqx h SER 559 CO -0.17 1.05 0.50 -0.07 -1.14 0.00 0.00 176.83 177.00 3kqx h LEU 560 N 0.46 0.86 -0.14 5.07 3.38 0.08 -1.87 115.31 123.15 3kqx h LEU 560 Ca 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3kqx h LEU 560 Cb 1.06 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3kqx h LEU 560 CO 0.10 0.62 -0.02 0.15 0.09 0.00 0.00 178.44 179.38 3kqx h PHE 561 N 1.01 0.28 -0.65 1.13 3.04 -0.81 -3.14 116.94 117.81 3kqx h PHE 561 Ca 0.28 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 3kqx h PHE 561 Cb -0.09 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.32 3kqx h PHE 561 CO -0.00 0.51 0.38 -0.07 -2.02 0.00 0.00 178.31 177.11 3kqx h LEU 562 N -0.03 0.79 -2.11 0.59 3.38 -1.17 -1.95 115.31 114.81 3kqx h LEU 562 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kqx h LEU 562 Cb 0.41 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3kqx h LEU 562 CO 0.01 0.62 -0.04 0.50 0.09 0.00 0.00 178.44 179.62 3kqx h LYS 563 N 0.90 0.00 0.00 1.13 3.64 -1.30 0.17 116.57 121.11 3kqx h LYS 563 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3kqx h LYS 563 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3kqx h LYS 563 CO -0.04 0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 3kqx n GLU 564 N -4.16 0.07 -0.43 1.90 -0.58 -0.73 -2.25 120.64 114.46 3kqx n GLU 564 Ca -0.03 0.36 0.08 0.00 -0.42 0.00 0.00 57.16 57.15 3kqx n GLU 564 Cb 0.13 -1.65 0.26 0.00 -0.57 0.00 0.00 31.44 29.61 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 -1.78 0.99 -3.93 -0.32 3.01 0.58 -4.83 117.46 111.18 3kqx n PHE 565 Ca 0.02 -0.70 -0.29 0.00 1.01 0.00 0.00 57.45 57.49 3kqx n PHE 565 Cb 0.16 -0.23 -0.16 0.00 -0.01 0.00 0.00 39.48 39.23 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 -2.09 1.25 -0.15 -4.37 1.01 -0.95 -4.07 120.40 111.03 3kqx s VAL 566 Ca 0.39 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.66 3kqx s VAL 566 Cb 0.28 -1.35 -0.24 0.00 0.00 0.00 0.00 36.38 35.07 3kqx s VAL 566 CO 0.14 0.21 0.24 1.67 0.00 0.00 0.00 175.10 177.36 3kqx n GLN 567 N 4.84 0.73 -2.70 2.72 -0.06 -1.26 -4.77 117.38 116.87 3kqx n GLN 567 Ca -0.13 0.26 -0.04 0.00 -2.00 0.00 0.00 57.00 55.08 3kqx n GLN 567 Cb 0.48 -1.67 0.11 0.00 -4.06 0.00 0.00 30.24 25.10 3kqx n GLN 567 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3kqx n ASN 568 N -3.50 -1.07 -3.87 1.69 5.15 -1.26 -5.10 115.26 107.31 3kqx n ASN 568 Ca -0.35 -2.32 -0.15 0.00 -0.60 0.00 0.00 54.58 51.17 3kqx n ASN 568 Cb 1.02 0.58 -0.15 0.00 -0.53 0.00 0.00 39.78 40.70 3kqx n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqx s THR 569 N -0.52 0.16 0.07 -0.44 2.01 -1.26 -5.12 115.64 110.55 3kqx s THR 569 Ca 0.17 -0.01 -0.34 0.00 0.31 0.00 0.00 61.69 61.81 3kqx s THR 569 Cb 0.42 -0.19 -0.13 0.00 0.01 0.00 0.00 72.50 72.60 3kqx s THR 569 CO -0.09 0.09 1.66 0.00 -0.69 0.00 0.00 174.62 175.59 3kqx n ALA 570 N 3.50 1.06 -2.94 7.40 0.00 -1.26 -4.91 120.51 123.37 3kqx n ALA 570 Ca -0.19 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 3kqx n ALA 570 Cb 0.55 -2.38 -0.12 0.00 0.00 0.00 0.00 19.45 17.50 3kqx n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kqx s TRP 571 N 1.93 0.09 0.05 0.00 -0.00 -1.26 -1.83 118.94 117.92 3kqx s TRP 571 Ca 0.84 -0.18 0.01 0.00 -0.00 0.00 0.00 56.10 56.77 3kqx s TRP 571 Cb -0.70 -0.07 -0.03 0.00 -0.00 0.00 0.00 33.47 32.66 3kqx s TRP 571 CO 0.43 -0.10 -0.06 0.00 -0.00 0.00 0.00 176.95 177.23 3kqx s ALA 572 N -0.64 0.55 -0.11 5.86 0.00 -0.33 -1.52 121.76 125.57 3kqx s ALA 572 Ca -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 51.96 50.98 3kqx s ALA 572 Cb -0.04 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.22 3kqx s ALA 572 CO -0.00 -0.14 -0.11 -1.58 0.00 0.00 0.00 175.76 173.92 3kqx s HIS 573 N -2.22 1.67 -0.35 0.00 2.46 0.11 -0.94 115.29 116.03 3kqx s HIS 573 Ca -0.04 -0.79 -0.10 0.00 0.47 0.00 0.00 55.06 54.59 3kqx s HIS 573 Cb -0.04 -1.28 0.02 0.00 -0.13 0.00 0.00 32.58 31.14 3kqx s HIS 573 CO -0.02 -0.47 0.18 0.42 -2.47 0.00 0.00 174.74 172.37 3kqx s ILE 574 N 1.28 4.49 -0.35 0.89 1.01 -0.15 -0.29 121.20 128.07 3kqx s ILE 574 Ca -0.02 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 3kqx s ILE 574 Cb -0.14 -3.44 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 3kqx s ILE 574 CO -0.04 -0.13 0.40 -0.62 0.00 0.00 0.00 174.94 174.55 3kqx s ASP 575 N 1.56 6.21 -0.15 3.58 -1.08 -0.25 -1.48 116.67 125.04 3kqx s ASP 575 Ca 0.02 -0.24 0.18 0.00 -0.52 0.00 0.00 52.55 51.99 3kqx s ASP 575 Cb -0.18 -2.21 0.41 0.00 -1.46 0.00 0.00 42.92 39.47 3kqx s ASP 575 CO 0.06 -0.39 1.28 2.30 0.52 0.00 0.00 175.17 178.94 3kqx n ILE 576 N 5.30 2.08 -0.22 4.11 -5.35 0.75 -2.82 119.36 123.20 3kqx n ILE 576 Ca -0.08 -2.08 0.15 0.00 -0.27 0.00 0.00 62.75 60.48 3kqx n ILE 576 Cb 0.49 -0.25 0.46 0.00 -1.74 0.00 0.00 39.64 38.61 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 0.89 2.04 0.00 -1.28 0.00 -1.83 -1.12 119.26 117.96 3kqx h ALA 577 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 3kqx h ALA 577 Cb 1.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3kqx h ALA 577 CO 0.11 -0.28 -1.24 0.78 0.00 0.00 0.00 179.25 178.62 3kqx h GLY 578 N 0.51 0.00 0.00 0.00 0.00 -1.82 -3.39 103.07 98.36 3kqx h GLY 578 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3kqx h GLY 578 CO -0.17 0.00 -1.11 3.33 0.00 0.00 0.00 176.54 178.60 3kqx n VAL 579 N -2.90 0.00 -0.18 4.60 0.24 -0.96 -4.20 118.33 114.94 3kqx n VAL 579 Ca -0.07 -0.18 -0.10 0.00 -2.04 0.00 0.00 64.34 61.95 3kqx n VAL 579 Cb 0.78 0.75 0.01 0.00 -1.47 0.00 0.00 33.84 33.91 3kqx n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqx h SER 580 N 0.00 1.02 -3.34 -1.34 0.87 -1.42 -3.43 113.55 105.91 3kqx h SER 580 Ca 0.00 -0.36 -0.60 0.00 -1.23 0.00 0.00 61.79 59.60 3kqx h SER 580 Cb 0.53 -0.28 -0.13 0.00 -0.44 0.00 0.00 62.40 62.08 3kqx h SER 580 CO 0.00 1.14 -0.50 0.86 -0.53 0.00 0.00 176.83 177.80 3kqx s TRP 581 N -4.83 3.39 -0.78 2.24 -0.11 -1.26 -0.75 118.94 116.83 3kqx s TRP 581 Ca -0.12 0.30 -0.23 0.00 1.22 0.00 0.00 56.10 57.28 3kqx s TRP 581 Cb 0.13 -2.18 0.07 0.00 -1.50 0.00 0.00 33.47 29.99 3kqx s TRP 581 CO 0.86 0.24 1.12 1.21 -4.62 0.00 0.00 176.95 175.76 3kqx s ASN 582 N 0.51 6.31 0.39 5.86 3.84 0.88 -4.87 114.94 127.86 3kqx s ASN 582 Ca 0.08 -1.19 0.13 0.00 0.21 0.00 0.00 52.86 52.08 3kqx s ASN 582 Cb -0.12 -2.46 0.78 0.00 -0.55 0.00 0.00 41.25 38.91 3kqx s ASN 582 CO -0.01 -1.44 1.87 -0.26 -2.79 0.00 0.00 177.10 174.48 3kqx h PHE 583 N 9.51 0.04 0.05 0.43 -1.00 -1.96 0.88 116.94 124.88 3kqx h PHE 583 Ca -0.12 -0.01 -0.28 0.00 2.81 0.00 0.00 57.97 60.37 3kqx h PHE 583 Cb 1.05 -0.01 0.02 0.00 3.61 0.00 0.00 35.95 40.62 3kqx h PHE 583 CO 1.08 0.34 -1.12 -0.22 -1.61 0.00 0.00 178.31 176.77 3kqx h LYS 584 N 0.03 0.66 -0.00 1.51 1.63 -1.94 -3.20 116.57 115.26 3kqx h LYS 584 Ca 0.00 -0.78 0.00 0.00 -0.85 0.00 0.00 60.65 59.02 3kqx h LYS 584 Cb 0.56 0.24 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 3kqx h LYS 584 CO 0.04 1.34 -0.12 0.00 -3.45 0.00 0.00 179.45 177.26 3kqx n ALA 585 N -2.66 2.70 -3.51 5.00 0.00 -1.12 -4.95 120.51 115.97 3kqx n ALA 585 Ca -0.12 -0.20 -0.22 0.00 0.00 0.00 0.00 53.44 52.90 3kqx n ALA 585 Cb 0.92 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 19.08 3kqx n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqx n ARG 586 N -1.29 -7.36 -3.62 0.00 1.74 0.27 -5.01 116.66 101.39 3kqx n ARG 586 Ca 0.10 0.79 -0.10 0.00 -0.77 0.00 0.00 57.85 57.87 3kqx n ARG 586 Cb 0.30 -5.71 -0.03 0.00 -1.02 0.00 0.00 32.46 26.01 3kqx n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqx s LYS 587 N -6.08 1.41 0.77 5.56 -2.85 -0.99 -5.02 119.74 112.53 3kqx s LYS 587 Ca 0.46 -0.71 -0.11 0.00 -1.00 0.00 0.00 55.97 54.60 3kqx s LYS 587 Cb -0.20 0.57 0.05 0.00 -2.06 0.00 0.00 37.83 36.19 3kqx s LYS 587 CO 0.69 -0.62 1.10 -2.14 0.10 0.00 0.00 175.35 174.49 3kqx s PRO 588 N -3.83 2.23 0.23 1.78 0.02 -1.26 -0.08 135.00 134.08 3kqx s PRO 588 Ca 0.06 1.26 0.23 0.00 0.02 0.00 0.00 61.00 62.57 3kqx s PRO 588 Cb -0.02 -1.89 0.16 0.00 0.02 0.00 0.00 34.50 32.77 3kqx s PRO 588 CO -0.06 -1.68 1.22 0.87 -0.33 0.00 0.00 177.00 177.03 3kqx h LYS 589 N -0.97 0.00 -3.47 5.54 1.57 -1.23 -3.43 116.57 114.58 3kqx h LYS 589 Ca -0.44 0.00 -0.40 0.00 -1.87 0.00 0.00 60.65 57.94 3kqx h LYS 589 Cb 1.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.56 3kqx h LYS 589 CO 0.51 0.00 -0.55 0.41 -0.57 0.00 0.00 179.45 179.25 3kqx n GLY 590 N 1.21 -0.47 3.72 3.86 0.00 -1.26 -4.92 105.19 107.33 3kqx n GLY 590 Ca 0.02 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.07 2.89 0.00 1.61 5.36 -1.26 -3.51 117.98 120.00 3kqx s PHE 591 Ca 0.12 0.42 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3kqx s PHE 591 Cb -0.05 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.50 3kqx s PHE 591 CO 0.15 -4.17 0.00 0.41 -1.46 0.00 0.00 175.22 170.15 3kqx n GLY 592 N 3.67 2.30 0.32 13.12 0.00 -1.26 -4.71 105.19 118.62 3kqx n GLY 592 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3kqx n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqx h VAL 593 N 0.00 0.44 -0.25 1.61 2.07 -1.76 -0.31 116.25 118.05 3kqx h VAL 593 Ca 0.00 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.39 3kqx h VAL 593 Cb 0.00 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3kqx h VAL 593 CO 0.00 0.01 -0.17 0.03 0.02 0.00 0.00 177.57 177.46 3kqx h ARG 594 N -0.79 0.44 -0.19 1.57 3.08 -1.90 -1.26 114.38 115.34 3kqx h ARG 594 Ca -0.08 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 3kqx h ARG 594 Cb 0.60 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3kqx h ARG 594 CO 0.13 0.60 -0.03 1.25 -1.07 0.00 0.00 179.97 180.85 3kqx h LEU 595 N 0.41 0.35 -0.00 3.04 5.85 -1.82 -0.45 115.31 122.68 3kqx h LEU 595 Ca 0.07 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 3kqx h LEU 595 Cb 0.54 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 3kqx h LEU 595 CO 0.03 0.62 0.00 -0.07 -0.34 0.00 0.00 178.44 178.68 3kqx h LEU 596 N 0.08 0.00 -0.64 2.25 3.38 -0.96 -1.59 115.31 117.84 3kqx h LEU 596 Ca 0.05 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.99 3kqx h LEU 596 Cb 0.45 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.15 3kqx h LEU 596 CO 0.02 0.09 0.35 0.74 0.09 0.00 0.00 178.44 179.72 3kqx h THR 597 N -0.08 0.96 -0.72 0.22 2.02 -1.15 -0.63 112.91 113.52 3kqx h THR 597 Ca 0.00 -0.22 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3kqx h THR 597 Cb 0.09 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 3kqx h THR 597 CO -0.00 0.12 0.43 -0.33 0.37 0.00 0.00 175.52 176.11 3kqx h GLU 598 N 0.64 0.98 -0.26 6.66 4.39 -1.00 0.25 114.58 126.25 3kqx h GLU 598 Ca 0.29 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.88 3kqx h GLU 598 Cb 0.19 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 3kqx h GLU 598 CO -0.18 0.69 0.10 0.35 -1.16 0.00 0.00 179.01 178.80 3kqx h PHE 599 N 1.00 0.41 -0.20 4.33 3.57 -0.58 -0.05 116.94 125.40 3kqx h PHE 599 Ca 0.26 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.53 3kqx h PHE 599 Cb -0.03 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.59 3kqx h PHE 599 CO 0.00 0.43 -0.67 -0.39 -2.23 0.00 0.00 178.31 175.46 3kqx h VAL 600 N 0.26 1.29 -0.18 1.41 -1.51 -0.60 -2.84 116.25 114.08 3kqx h VAL 600 Ca 0.09 -1.88 -0.10 0.00 -1.23 0.00 0.00 66.70 63.57 3kqx h VAL 600 Cb 0.20 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 3kqx h VAL 600 CO -0.01 0.60 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.53 3kqx h LEU 601 N 0.55 0.38 -0.61 4.19 4.07 -0.43 -3.15 115.31 120.32 3kqx h LEU 601 Ca -0.02 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.80 3kqx h LEU 601 Cb 1.27 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.91 3kqx h LEU 601 CO 0.14 0.70 -0.37 0.59 -1.08 0.00 0.00 178.44 178.42 3kqx n ASN 602 N -4.08 1.31 -0.41 -0.43 3.02 -0.04 -5.07 115.26 109.56 3kqx n ASN 602 Ca -0.01 -1.06 0.14 0.00 -0.03 0.00 0.00 54.58 53.63 3kqx n ASN 602 Cb 0.44 0.28 0.59 0.00 -0.61 0.00 0.00 39.78 40.48 3kqx n ASN 602 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74