#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s GLU 87 N 0.00 4.71 -0.23 4.33 8.01 -1.26 -4.91 118.70 129.36 3kqz s GLU 87 Ca 0.00 1.48 -0.28 0.00 0.01 0.00 0.00 54.97 56.19 3kqz s GLU 87 Cb 0.00 -3.35 0.00 0.00 -4.31 0.00 0.00 34.13 26.47 3kqz s GLU 87 CO 0.00 0.24 0.98 0.14 0.01 0.00 0.00 175.26 176.63 3kqz s VAL 88 N -0.19 4.73 0.70 2.63 -7.23 -1.26 -5.00 120.40 114.78 3kqz s VAL 88 Ca 0.46 1.90 -0.16 0.00 -1.81 0.00 0.00 61.98 62.37 3kqz s VAL 88 Cb -0.24 -4.26 0.02 0.00 0.56 0.00 0.00 36.38 32.46 3kqz s VAL 88 CO 0.31 -0.14 1.22 -0.81 -0.31 0.00 0.00 175.10 175.37 3kqz n PRO 89 N 6.14 0.77 -4.13 4.82 -0.04 -1.26 -4.95 135.00 136.36 3kqz n PRO 89 Ca 0.10 0.32 -0.15 0.00 -0.04 0.00 0.00 63.50 63.73 3kqz n PRO 89 Cb 0.47 -2.46 -0.12 0.00 -0.04 0.00 0.00 33.50 31.35 3kqz n PRO 89 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3kqz s GLN 90 N -3.55 0.65 -0.21 0.54 -0.21 -1.26 -5.04 119.66 110.57 3kqz s GLN 90 Ca 0.79 -0.79 -0.18 0.00 0.02 0.00 0.00 55.36 55.20 3kqz s GLN 90 Cb -0.35 -0.52 -0.15 0.00 1.00 0.00 0.00 33.01 32.98 3kqz s GLN 90 CO 0.45 0.11 0.03 0.28 -2.12 0.00 0.00 175.29 174.04 3kqz n VAL 91 N 1.52 1.52 -4.38 1.09 0.31 -1.26 -4.95 118.33 112.18 3kqz n VAL 91 Ca -0.21 -0.06 -0.27 0.00 -0.01 0.00 0.00 64.34 63.79 3kqz n VAL 91 Cb 0.55 -2.06 -0.11 0.00 -0.91 0.00 0.00 33.84 31.31 3kqz n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kqz s VAL 92 N -2.40 2.67 0.13 2.52 -7.23 -1.26 -5.03 120.40 109.80 3kqz s VAL 92 Ca -0.29 -1.93 0.21 0.00 -1.81 0.00 0.00 61.98 58.16 3kqz s VAL 92 Cb 0.07 -2.31 0.21 0.00 0.56 0.00 0.00 36.38 34.92 3kqz s VAL 92 CO 0.52 -0.14 1.60 0.77 -0.31 0.00 0.00 175.10 177.54 3kqz h SER 93 N 3.01 0.00 0.01 4.85 4.64 -2.03 -0.63 113.55 123.40 3kqz h SER 93 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3kqz h SER 93 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kqz h SER 93 CO 0.51 0.00 -0.09 0.18 -0.87 0.00 0.00 176.83 176.56 3kqz n LEU 94 N -2.35 2.11 -4.71 5.97 4.77 -1.26 -4.86 117.00 116.66 3kqz n LEU 94 Ca -0.01 -0.70 -0.42 0.00 -0.03 0.00 0.00 56.01 54.84 3kqz n LEU 94 Cb 0.24 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3kqz n LEU 94 CO 0.09 0.36 1.14 -1.81 -1.33 0.00 0.00 177.39 175.84 3kqz s ASP 95 N -2.12 6.74 0.62 -1.43 1.01 -0.24 -4.97 116.67 116.28 3kqz s ASP 95 Ca 0.30 2.39 -0.19 0.00 0.71 0.00 0.00 52.55 55.76 3kqz s ASP 95 Cb 0.20 -2.58 -0.02 0.00 1.01 0.00 0.00 42.92 41.53 3kqz s ASP 95 CO 0.37 -0.73 1.29 -2.84 0.21 0.00 0.00 175.17 173.48 3kqz s PRO 96 N 1.45 2.72 -0.10 8.23 0.02 -1.26 -4.92 135.00 141.14 3kqz s PRO 96 Ca 0.67 2.06 0.14 0.00 0.02 0.00 0.00 61.00 63.89 3kqz s PRO 96 Cb -0.38 -1.93 0.26 0.00 0.02 0.00 0.00 34.50 32.47 3kqz s PRO 96 CO 0.30 -1.46 1.16 0.25 -0.33 0.00 0.00 177.00 176.92 3kqz n THR 97 N -1.69 1.70 -3.55 0.99 -2.24 -1.26 -4.86 114.28 103.36 3kqz n THR 97 Ca 0.15 -1.86 -0.08 0.00 -2.27 0.00 0.00 64.05 59.98 3kqz n THR 97 Cb 0.48 -0.04 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 3kqz n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kqz s SER 98 N -2.22 -0.37 -0.17 3.42 1.04 -1.26 -4.62 113.70 109.52 3kqz s SER 98 Ca 0.26 -0.12 -0.20 0.00 0.48 0.00 0.00 55.95 56.37 3kqz s SER 98 Cb 0.22 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 3kqz s SER 98 CO 0.04 -0.81 0.58 -0.63 0.98 0.00 0.00 173.24 173.40 3kqz s ILE 99 N -3.37 5.07 0.18 -1.02 1.01 -1.25 -4.85 121.20 116.98 3kqz s ILE 99 Ca 0.06 1.12 -0.30 0.00 0.00 0.00 0.00 60.65 61.52 3kqz s ILE 99 Cb -0.01 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.47 3kqz s ILE 99 CO -0.07 0.18 1.21 -2.16 0.00 0.00 0.00 174.94 174.10 3kqz s PRO 100 N 1.50 4.48 -0.02 2.79 0.04 -1.26 -5.01 135.00 137.51 3kqz s PRO 100 Ca 0.28 1.89 0.05 0.00 0.04 0.00 0.00 61.00 63.26 3kqz s PRO 100 Cb -0.16 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 3kqz s PRO 100 CO 0.11 -0.11 -0.16 0.42 0.04 0.00 0.00 177.00 177.30 3kqz s ILE 101 N -0.00 1.25 -0.33 0.56 -1.09 -1.26 -4.99 121.20 115.34 3kqz s ILE 101 Ca 0.53 -0.66 -0.12 0.00 -2.23 0.00 0.00 60.65 58.17 3kqz s ILE 101 Cb -0.33 -1.05 -0.02 0.00 -1.58 0.00 0.00 42.46 39.48 3kqz s ILE 101 CO 0.37 0.36 0.23 -1.61 -1.23 0.00 0.00 174.94 173.05 3kqz s GLU 102 N -0.24 3.57 -0.18 2.79 2.02 -1.26 -4.96 118.70 120.44 3kqz s GLU 102 Ca 0.03 -0.59 -0.15 0.00 0.02 0.00 0.00 54.97 54.28 3kqz s GLU 102 Cb -0.07 -3.78 -0.11 0.00 0.10 0.00 0.00 34.13 30.27 3kqz s GLU 102 CO 0.00 -0.40 -0.01 0.66 0.02 0.00 0.00 175.26 175.53 3kqz n TYR 103 N 5.10 0.93 -2.35 1.61 4.02 -1.26 -4.74 117.16 120.47 3kqz n TYR 103 Ca -0.13 0.41 -0.38 0.00 -0.01 0.00 0.00 57.90 57.78 3kqz n TYR 103 Cb 0.50 -0.93 -0.03 0.00 -0.02 0.00 0.00 39.34 38.86 3kqz n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqz s ASN 104 N -6.30 5.85 0.30 7.72 -0.87 -1.26 -5.00 114.94 115.39 3kqz s ASN 104 Ca -0.22 -0.51 -0.01 0.00 -1.57 0.00 0.00 52.86 50.55 3kqz s ASN 104 Cb 0.04 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.68 3kqz s ASN 104 CO 0.40 -2.04 0.51 0.42 -2.57 0.00 0.00 177.10 173.82 3kqz s THR 105 N 7.08 5.11 0.48 1.60 -4.23 -1.26 -4.99 115.64 119.44 3kqz s THR 105 Ca 0.51 -0.33 0.23 0.00 -1.18 0.00 0.00 61.69 60.92 3kqz s THR 105 Cb -0.07 -3.80 0.41 0.00 1.34 0.00 0.00 72.50 70.38 3kqz s THR 105 CO 0.08 -0.41 1.91 -0.65 -0.54 0.00 0.00 174.62 175.01 3kqz h PRO 106 N 1.26 0.18 -0.25 3.99 0.11 -2.00 -0.34 132.00 134.95 3kqz h PRO 106 Ca -0.49 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kqz h PRO 106 Cb 1.21 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kqz h PRO 106 CO 0.64 0.12 0.12 0.82 -0.21 0.00 0.00 178.00 179.49 3kqz h ILE 107 N 0.19 1.09 0.00 4.15 1.08 -1.94 0.54 117.51 122.63 3kqz h ILE 107 Ca 0.39 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 3kqz h ILE 107 Cb 1.24 0.78 0.00 0.00 -3.07 0.00 0.00 36.82 35.77 3kqz h ILE 107 CO -0.07 0.11 0.00 1.41 -0.69 0.00 0.00 178.15 178.90 3kqz n HIS 108 N -4.45 0.63 1.18 1.37 8.25 -0.14 -2.47 115.22 119.60 3kqz n HIS 108 Ca 0.01 0.26 0.13 0.00 -0.26 0.00 0.00 57.72 57.85 3kqz n HIS 108 Cb 0.11 -0.92 0.24 0.00 1.12 0.00 0.00 29.99 30.55 3kqz n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kqz n ASP 109 N -2.09 2.16 -4.64 0.41 8.00 0.19 -4.83 116.55 115.76 3kqz n ASP 109 Ca 0.02 -1.64 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 3kqz n ASP 109 Cb 0.18 0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.34 3kqz n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqz s ILE 110 N -2.13 4.73 -0.22 0.53 1.01 -1.03 -4.82 121.20 119.28 3kqz s ILE 110 Ca 0.29 1.60 -0.28 0.00 0.00 0.00 0.00 60.65 62.27 3kqz s ILE 110 Cb 0.20 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3kqz s ILE 110 CO 0.38 -0.21 0.98 -0.75 0.00 0.00 0.00 174.94 175.34 3kqz s LYS 111 N 3.09 4.26 -0.15 2.79 2.20 -0.75 -4.91 119.74 126.27 3kqz s LYS 111 Ca 0.38 1.26 -0.04 0.00 -0.36 0.00 0.00 55.97 57.21 3kqz s LYS 111 Cb -0.14 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 3kqz s LYS 111 CO 0.10 -0.57 -0.02 0.08 -0.36 0.00 0.00 175.35 174.58 3kqz s VAL 112 N 2.98 4.02 0.05 4.02 1.01 -1.26 -1.66 120.40 129.56 3kqz s VAL 112 Ca 0.42 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3kqz s VAL 112 Cb -0.15 -2.76 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3kqz s VAL 112 CO 0.08 0.50 -0.15 -1.10 0.00 0.00 0.00 175.10 174.42 3kqz s GLN 113 N 0.22 0.97 0.04 2.72 -1.52 -0.71 -5.00 119.66 116.39 3kqz s GLN 113 Ca -0.02 -0.85 0.06 0.00 -1.95 0.00 0.00 55.36 52.60 3kqz s GLN 113 Cb -0.14 -1.01 -0.03 0.00 -0.22 0.00 0.00 33.01 31.60 3kqz s GLN 113 CO 0.03 0.25 -0.13 0.08 -0.25 0.00 0.00 175.29 175.26 3kqz s VAL 114 N -0.96 3.16 0.02 1.09 1.01 -1.26 -1.24 120.40 122.22 3kqz s VAL 114 Ca 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3kqz s VAL 114 Cb -0.09 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3kqz s VAL 114 CO 0.02 0.31 -0.03 -0.31 0.00 0.00 0.00 175.10 175.08 3kqz s TYR 115 N -1.01 0.26 -0.04 5.22 1.51 0.12 -4.92 117.35 118.50 3kqz s TYR 115 Ca 0.17 -0.40 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 3kqz s TYR 115 Cb -0.11 -0.18 -0.03 0.00 -0.11 0.00 0.00 41.96 41.53 3kqz s TYR 115 CO 0.08 -0.13 1.05 0.16 -1.11 0.00 0.00 175.55 175.60 3kqz s ASP 116 N -1.13 7.24 0.62 2.29 -4.77 -1.26 -1.13 116.67 118.52 3kqz s ASP 116 Ca -0.11 1.69 0.30 0.00 -3.30 0.00 0.00 52.55 51.12 3kqz s ASP 116 Cb -0.08 -2.56 1.63 0.00 -1.09 0.00 0.00 42.92 40.82 3kqz s ASP 116 CO -0.01 -0.40 1.99 0.40 0.70 0.00 0.00 175.17 177.85 3kqz h ILE 117 N 4.90 0.25 -0.75 2.11 2.04 -1.76 -1.12 117.51 123.18 3kqz h ILE 117 Ca -0.37 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.57 3kqz h ILE 117 Cb 1.18 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 37.88 3kqz h ILE 117 CO 0.82 0.00 -0.55 0.07 0.00 0.00 0.00 178.15 178.48 3kqz h LYS 118 N 0.00 -0.13 -0.08 2.37 -0.00 -1.89 -1.82 116.57 115.01 3kqz h LYS 118 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.75 3kqz h LYS 118 Cb 0.75 0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.01 3kqz h LYS 118 CO -0.00 -0.09 0.00 0.41 -0.00 0.00 0.00 179.45 179.77 3kqz n GLY 119 N -1.28 -0.46 0.48 0.07 0.00 -0.42 -4.97 105.19 98.61 3kqz n GLY 119 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3kqz n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 120 N 0.16 -2.01 3.35 -0.02 0.00 -0.69 -4.96 105.19 101.02 3kqz n GLY 120 Ca 0.00 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.33 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N -0.50 6.45 -0.44 0.00 0.01 -1.26 0.24 114.94 119.43 3kqz s ASN 122 Ca 0.06 0.80 0.08 0.00 -0.71 0.00 0.00 52.86 53.09 3kqz s ASN 122 Cb -0.11 -2.18 0.27 0.00 0.41 0.00 0.00 41.25 39.63 3kqz s ASN 122 CO 0.01 -0.26 0.61 0.52 -1.51 0.00 0.00 177.10 176.47 3kqz n VAL 123 N -1.09 0.11 0.12 1.60 0.31 -1.26 -4.94 118.33 113.19 3kqz n VAL 123 Ca -0.01 -4.38 -0.21 0.00 -0.01 0.00 0.00 64.34 59.72 3kqz n VAL 123 Cb 0.54 -1.74 -0.15 0.00 -0.91 0.00 0.00 33.84 31.58 3kqz n VAL 123 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3kqz h GLU 124 N 3.86 0.43 -4.32 5.55 4.11 -1.98 -3.48 114.58 118.76 3kqz h GLU 124 Ca 0.10 -0.73 -0.32 0.00 0.07 0.00 0.00 59.36 58.48 3kqz h GLU 124 Cb 0.83 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 30.26 3kqz h GLU 124 CO 0.55 1.34 -0.27 -1.83 0.07 0.00 0.00 179.01 178.88 3kqz s GLU 125 N -2.62 1.87 0.00 1.06 -1.05 -1.26 -4.87 118.70 111.82 3kqz s GLU 125 Ca -0.08 -1.82 0.00 0.00 -0.15 0.00 0.00 54.97 52.92 3kqz s GLU 125 Cb 0.05 0.41 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 3kqz s GLU 125 CO 0.92 -0.75 0.00 0.41 0.95 0.00 0.00 175.26 176.78 3kqz n GLY 126 N -0.57 1.41 3.31 -3.83 0.00 -1.26 -4.64 105.19 99.60 3kqz n GLY 126 Ca 0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kqz n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqz s LEU 127 N 0.00 2.70 -0.26 0.99 2.96 0.29 -0.40 118.68 124.95 3kqz s LEU 127 Ca 0.00 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.48 3kqz s LEU 127 Cb 0.00 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 45.07 3kqz s LEU 127 CO 0.00 0.07 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.20 3kqz s THR 128 N 0.92 3.30 -0.09 3.68 2.01 0.10 -0.09 115.64 125.47 3kqz s THR 128 Ca -0.02 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.13 3kqz s THR 128 Cb -0.15 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 3kqz s THR 128 CO -0.00 0.18 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.37 3kqz s ILE 129 N 1.40 3.31 -0.22 1.82 -1.09 -0.08 -0.80 121.20 125.54 3kqz s ILE 129 Ca 0.02 -0.61 -0.09 0.00 -2.23 0.00 0.00 60.65 57.74 3kqz s ILE 129 Cb -0.17 -2.35 -0.04 0.00 -1.58 0.00 0.00 42.46 38.32 3kqz s ILE 129 CO -0.02 0.57 0.11 -0.36 -1.23 0.00 0.00 174.94 174.00 3kqz s PHE 130 N -0.36 3.24 -0.48 3.97 0.40 -0.30 -0.28 117.98 124.17 3kqz s PHE 130 Ca 0.04 0.04 -0.25 0.00 -0.60 0.00 0.00 56.93 56.17 3kqz s PHE 130 Cb -0.12 -2.20 0.03 0.00 0.51 0.00 0.00 43.02 41.24 3kqz s PHE 130 CO 0.02 0.01 0.92 -0.51 0.70 0.00 0.00 175.22 176.36 3kqz s LEU 131 N 0.94 4.04 0.04 -0.37 1.43 0.93 -1.77 118.68 123.92 3kqz s LEU 131 Ca 0.06 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 3kqz s LEU 131 Cb -0.13 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 3kqz s LEU 131 CO 0.03 -1.09 -0.20 0.68 0.23 0.00 0.00 176.35 176.01 3kqz s VAL 132 N 3.78 1.59 0.00 -1.59 -7.23 -0.95 -1.50 120.40 114.50 3kqz s VAL 132 Ca 0.35 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 3kqz s VAL 132 Cb -0.11 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3kqz s VAL 132 CO 0.24 0.19 0.00 -0.46 -0.31 0.00 0.00 175.10 174.77 3kqz n ASN 133 N 1.90 1.47 -3.15 4.85 0.23 -1.26 0.27 115.26 119.57 3kqz n ASN 133 Ca -0.17 -0.43 0.05 0.00 -0.53 0.00 0.00 54.58 53.50 3kqz n ASN 133 Cb 0.53 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.23 3kqz n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 134 N 0.13 -0.78 0.07 0.53 3.04 -1.06 -4.77 114.94 112.11 3kqz s ASN 134 Ca 0.00 0.21 -0.31 0.00 0.04 0.00 0.00 52.86 52.80 3kqz s ASN 134 Cb 0.00 1.54 -0.07 0.00 -1.54 0.00 0.00 41.25 41.18 3kqz s ASN 134 CO 0.00 -0.14 1.40 -2.84 -3.04 0.00 0.00 177.10 172.48 3kqz s PRO 135 N 2.92 4.31 -0.01 0.43 0.02 -1.22 -3.88 135.00 137.56 3kqz s PRO 135 Ca 0.16 2.04 -0.00 0.00 0.02 0.00 0.00 61.00 63.21 3kqz s PRO 135 Cb -0.07 -3.39 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3kqz s PRO 135 CO -0.21 -0.49 0.02 0.41 -0.33 0.00 0.00 177.00 176.40 3kqz n GLY 136 N 3.56 -0.97 0.00 0.52 0.00 -1.26 -5.08 105.19 101.96 3kqz n GLY 136 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kqz n GLY 136 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kqz n LYS 137 N -0.43 0.00 0.00 1.61 4.76 -1.25 -4.53 118.16 118.32 3kqz n LYS 137 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kqz n LYS 137 Cb 0.01 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.20 3kqz n LYS 137 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 3kqz n GLU 138 N 0.00 0.00 -2.73 1.97 -0.00 -1.26 -4.05 120.64 114.57 3kqz n GLU 138 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.16 56.96 3kqz n GLU 138 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 31.48 3kqz n GLU 138 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3kqz s ASN 139 N 0.00 5.22 1.02 -1.84 2.47 -1.26 -4.72 114.94 115.83 3kqz s ASN 139 Ca 0.00 -0.19 -0.02 0.00 0.42 0.00 0.00 52.86 53.07 3kqz s ASN 139 Cb 0.00 -0.65 0.03 0.00 -1.45 0.00 0.00 41.25 39.18 3kqz s ASN 139 CO 0.00 -1.17 0.11 0.61 -3.72 0.00 0.00 177.10 172.92 3kqz n GLY 140 N -2.30 -2.25 3.73 1.21 0.00 -1.26 -4.21 105.19 100.11 3kqz n GLY 140 Ca 0.09 -1.49 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 3kqz n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kqz s PRO 141 N -3.24 1.89 0.00 1.61 0.04 -1.26 -1.82 135.00 132.22 3kqz s PRO 141 Ca 0.07 1.44 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 3kqz s PRO 141 Cb -0.01 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 3kqz s PRO 141 CO 0.05 -1.96 1.01 0.08 0.04 0.00 0.00 177.00 176.22 3kqz s VAL 142 N -2.56 4.75 -0.10 -0.36 1.01 -0.10 -4.65 120.40 118.39 3kqz s VAL 142 Ca 0.66 1.97 0.01 0.00 0.00 0.00 0.00 61.98 64.62 3kqz s VAL 142 Cb -0.22 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 31.92 3kqz s VAL 142 CO 0.53 0.15 -0.09 -0.54 0.00 0.00 0.00 175.10 175.14 3kqz s LYS 143 N 1.07 1.59 0.24 2.72 1.02 -1.26 -4.03 119.74 121.10 3kqz s LYS 143 Ca 0.53 -0.31 -0.23 0.00 0.02 0.00 0.00 55.97 55.98 3kqz s LYS 143 Cb -0.22 -1.52 -0.09 0.00 -0.52 0.00 0.00 37.83 35.48 3kqz s LYS 143 CO 0.28 -0.16 0.80 0.42 -0.92 0.00 0.00 175.35 175.76 3kqz s ILE 144 N 1.33 4.42 -0.02 2.17 1.09 -1.26 -4.95 121.20 123.97 3kqz s ILE 144 Ca -0.02 1.53 0.03 0.00 -1.10 0.00 0.00 60.65 61.09 3kqz s ILE 144 Cb -0.14 -3.96 -0.04 0.00 -1.06 0.00 0.00 42.46 37.26 3kqz s ILE 144 CO -0.04 0.26 0.04 -0.24 -0.10 0.00 0.00 174.94 174.85 3kqz n SER 145 N 0.86 4.22 -4.76 3.58 2.88 -1.26 -5.03 113.62 114.11 3kqz n SER 145 Ca -0.02 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.13 3kqz n SER 145 Cb 0.50 0.81 -0.03 0.00 -0.75 0.00 0.00 64.21 64.73 3kqz n SER 145 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3kqz s SER 146 N -2.99 7.00 0.24 -3.46 0.01 -1.26 -5.02 113.70 108.22 3kqz s SER 146 Ca -0.01 2.33 -0.24 0.00 1.31 0.00 0.00 55.95 59.33 3kqz s SER 146 Cb 0.01 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 3kqz s SER 146 CO 0.13 -0.34 0.83 -1.59 0.41 0.00 0.00 173.24 172.68 3kqz s LYS 147 N -1.77 4.50 -0.07 12.44 0.00 -1.26 -4.96 119.74 128.62 3kqz s LYS 147 Ca 0.49 1.15 0.05 0.00 0.00 0.00 0.00 55.97 57.66 3kqz s LYS 147 Cb -0.32 -2.99 -0.01 0.00 0.00 0.00 0.00 37.83 34.51 3kqz s LYS 147 CO 0.41 0.41 -0.22 0.08 0.00 0.00 0.00 175.35 176.03 3kqz s VAL 148 N -1.43 2.29 -0.11 1.79 1.01 -1.26 -0.70 120.40 122.00 3kqz s VAL 148 Ca 0.43 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3kqz s VAL 148 Cb -0.20 -1.86 0.12 0.00 0.00 0.00 0.00 36.38 34.45 3kqz s VAL 148 CO 0.24 0.57 1.49 -0.46 0.00 0.00 0.00 175.10 176.94 3kqz n ASN 149 N 2.97 4.15 -3.71 3.32 2.04 0.14 -4.70 115.26 119.47 3kqz n ASN 149 Ca -0.18 -2.47 -0.12 0.00 -0.44 0.00 0.00 54.58 51.37 3kqz n ASN 149 Cb 0.52 -0.77 -0.13 0.00 -2.53 0.00 0.00 39.78 36.88 3kqz n ASN 149 CO 0.00 0.00 0.00 1.51 -0.44 0.00 0.00 177.26 178.33 3kqz s ASP 150 N 0.78 -0.15 0.00 0.53 3.84 -1.26 -4.85 116.67 115.56 3kqz s ASP 150 Ca 0.12 0.60 0.00 0.00 -0.00 0.00 0.00 52.55 53.28 3kqz s ASP 150 Cb 0.10 0.55 0.00 0.00 -1.38 0.00 0.00 42.92 42.19 3kqz s ASP 150 CO 0.01 -0.19 0.11 0.29 -0.00 0.00 0.00 175.17 175.39 3kqz n LYS 151 N 4.54 0.00 -0.10 2.11 4.01 -1.26 0.74 118.16 128.20 3kqz n LYS 151 Ca -0.20 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 57.71 3kqz n LYS 151 Cb 0.52 -1.16 0.17 0.00 -0.51 0.00 0.00 35.03 34.05 3kqz n LYS 151 CO 0.00 0.00 0.00 1.55 -1.11 0.00 0.00 177.40 177.84 3kqz n VAL 153 N -0.49 0.00 -0.36 -0.18 3.14 -1.26 -4.14 118.33 115.04 3kqz n VAL 153 Ca 0.00 0.46 0.27 0.00 -2.96 0.00 0.00 64.34 62.11 3kqz n VAL 153 Cb 0.00 -0.81 0.55 0.00 -1.06 0.00 0.00 33.84 32.52 3kqz n VAL 153 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 3kqz h SER 154 N 0.00 0.39 -0.68 6.55 0.02 0.00 -0.43 113.55 119.40 3kqz h SER 154 Ca 0.19 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.27 3kqz h SER 154 Cb 1.08 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 63.65 3kqz h SER 154 CO -0.00 -0.02 0.45 -0.33 -1.14 0.00 0.00 176.83 175.78 3kqz h GLU 155 N 0.29 0.88 -0.06 3.45 3.07 -1.82 -2.17 114.58 118.23 3kqz h GLU 155 Ca 0.68 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 59.51 3kqz h GLU 155 Cb 1.87 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 29.56 3kqz h GLU 155 CO -0.37 0.59 -0.05 0.35 -1.40 0.00 0.00 179.01 178.12 3kqz h PHE 156 N 0.91 -0.13 -0.10 4.33 3.57 -1.41 -2.93 116.94 121.19 3kqz h PHE 156 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3kqz h PHE 156 Cb -0.09 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3kqz h PHE 156 CO -0.03 -0.09 0.00 1.28 -2.23 0.00 0.00 178.31 177.25 3kqz n LEU 157 N -5.18 0.57 -4.77 0.59 7.99 -1.10 -4.49 117.00 110.62 3kqz n LEU 157 Ca -0.05 -0.28 -0.31 0.00 -0.01 0.00 0.00 56.01 55.36 3kqz n LEU 157 Cb 0.10 -0.07 0.10 0.00 -0.11 0.00 0.00 43.42 43.44 3kqz n LEU 157 CO 0.29 0.14 0.70 -1.59 -1.51 0.00 0.00 177.39 175.41 3kqz s LYS 158 N -1.87 2.13 0.30 3.23 0.00 -0.83 -4.59 119.74 118.11 3kqz s LYS 158 Ca 0.11 1.05 0.13 0.00 0.00 0.00 0.00 55.97 57.27 3kqz s LYS 158 Cb 0.06 -1.89 0.41 0.00 0.00 0.00 0.00 37.83 36.40 3kqz s LYS 158 CO 0.08 -1.70 1.62 -0.44 0.00 0.00 0.00 175.35 174.91 3kqz h ASP 159 N -1.16 0.00 -0.06 0.03 5.19 -1.89 -2.84 116.42 115.69 3kqz h ASP 159 Ca -0.45 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.00 3kqz h ASP 159 Cb 1.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.70 3kqz h ASP 159 CO 0.53 0.56 -0.27 -0.33 -3.12 0.00 0.00 179.24 176.61 3kqz h GLU 160 N 0.00 -0.36 -0.15 3.56 5.08 -1.94 -2.10 114.58 118.67 3kqz h GLU 160 Ca -0.01 0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 3kqz h GLU 160 Cb 1.10 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 3kqz h GLU 160 CO 0.07 -0.24 -0.50 -2.95 -1.00 0.00 0.00 179.01 174.39 3kqz h ASN 161 N -0.38 0.46 0.64 1.42 7.08 -1.79 -3.31 115.58 119.70 3kqz h ASN 161 Ca 0.08 -0.23 -0.15 0.00 -3.08 0.00 0.00 56.30 52.92 3kqz h ASN 161 Cb 0.49 -0.13 -0.02 0.00 -2.08 0.00 0.00 38.32 36.58 3kqz h ASN 161 CO -0.27 0.89 -0.70 0.24 -2.08 0.00 0.00 177.43 175.50 3kqz h MET 162 N 0.33 0.05 -0.58 4.14 0.00 -1.36 -2.94 114.93 114.57 3kqz h MET 162 Ca 0.01 -0.05 0.17 0.00 0.00 0.00 0.00 59.70 59.84 3kqz h MET 162 Cb 1.00 0.01 -0.02 0.00 0.00 0.00 0.00 31.60 32.59 3kqz h MET 162 CO 0.09 0.73 0.55 0.93 0.00 0.00 0.00 176.91 179.21 3kqz h GLU 163 N 0.04 0.00 0.00 1.72 4.39 -1.47 -0.70 114.58 118.56 3kqz h GLU 163 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kqz h GLU 163 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 3kqz h GLU 163 CO 0.10 0.00 0.00 0.36 -1.16 0.00 0.00 179.01 178.31 3kqz n LYS 164 N -3.82 0.15 -4.84 2.33 -0.00 -1.11 -4.71 118.16 106.16 3kqz n LYS 164 Ca 0.11 0.39 -0.31 0.00 -0.00 0.00 0.00 58.31 58.50 3kqz n LYS 164 Cb 0.78 -1.79 -0.14 0.00 -0.00 0.00 0.00 35.03 33.88 3kqz n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kqz s PHE 165 N -3.25 2.49 0.41 5.58 2.99 -0.27 -5.09 117.98 120.84 3kqz s PHE 165 Ca 0.05 -0.31 0.07 0.00 0.00 0.00 0.00 56.93 56.75 3kqz s PHE 165 Cb 0.09 -1.47 -0.05 0.00 0.00 0.00 0.00 43.02 41.59 3kqz s PHE 165 CO 0.36 0.17 0.16 0.54 -0.00 0.00 0.00 175.22 176.46 3kqz s ASN 166 N -1.19 4.39 0.00 1.36 2.20 -1.26 -0.92 114.94 119.52 3kqz s ASN 166 Ca 0.13 -1.08 0.22 0.00 -0.94 0.00 0.00 52.86 51.19 3kqz s ASN 166 Cb -0.10 -0.49 0.29 0.00 -2.00 0.00 0.00 41.25 38.95 3kqz s ASN 166 CO 0.03 -0.52 1.29 0.52 -2.94 0.00 0.00 177.10 175.48 3kqz n VAL 167 N -1.21 0.26 -1.42 3.54 0.31 -0.76 -4.71 118.33 114.35 3kqz n VAL 167 Ca -0.01 -0.63 -0.55 0.00 -0.01 0.00 0.00 64.34 63.13 3kqz n VAL 167 Cb 0.64 1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 34.71 3kqz n VAL 167 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3kqz n LYS 168 N 1.33 0.00 -1.65 5.55 3.00 -1.26 -2.02 118.16 123.11 3kqz n LYS 168 Ca 0.16 0.00 -0.53 0.00 -0.00 0.00 0.00 58.31 57.94 3kqz n LYS 168 Cb 0.57 -1.33 -0.06 0.00 0.00 0.00 0.00 35.03 34.21 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3kqz n LEU 169 N 2.16 2.29 0.00 3.14 0.00 -1.26 -0.91 117.00 122.42 3kqz n LEU 169 Ca 0.21 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.31 3kqz n LEU 169 Cb 0.02 -1.23 0.00 0.00 0.00 0.00 0.00 43.42 42.22 3kqz n LEU 169 CO 0.64 -0.63 0.00 0.61 0.00 0.00 0.00 177.39 178.01 3kqz n GLY 170 N 3.41 2.79 3.72 -3.96 0.00 -0.55 -4.96 105.19 105.63 3kqz n GLY 170 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3kqz n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqz s THR 171 N -1.99 3.06 0.23 2.61 2.01 -0.09 -4.77 115.64 116.69 3kqz s THR 171 Ca 0.00 0.76 0.02 0.00 0.31 0.00 0.00 61.69 62.78 3kqz s THR 171 Cb 0.00 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.97 3kqz s THR 171 CO 0.00 0.06 0.04 -0.94 -0.69 0.00 0.00 174.62 173.09 3kqz s SER 172 N 1.12 1.37 -0.06 3.53 1.04 -1.26 -0.96 113.70 118.48 3kqz s SER 172 Ca 0.67 -1.28 -0.16 0.00 0.48 0.00 0.00 55.95 55.66 3kqz s SER 172 Cb -0.39 0.11 0.03 0.00 0.10 0.00 0.00 66.02 65.87 3kqz s SER 172 CO 0.31 -0.63 0.37 -0.54 0.98 0.00 0.00 173.24 173.73 3kqz s LYS 173 N -3.95 0.65 0.00 4.02 -0.14 -1.10 -5.02 119.74 114.21 3kqz s LYS 173 Ca 0.31 0.07 -0.04 0.00 -1.36 0.00 0.00 55.97 54.95 3kqz s LYS 173 Cb 0.07 0.30 -0.00 0.00 -1.68 0.00 0.00 37.83 36.51 3kqz s LYS 173 CO 0.09 -0.16 0.07 -3.38 -0.76 0.00 0.00 175.35 171.21 3kqz s HIS 174 N -0.87 0.08 0.01 3.18 -3.43 -1.26 -1.50 115.29 111.50 3kqz s HIS 174 Ca -0.09 -0.18 0.05 0.00 -0.80 0.00 0.00 55.06 54.03 3kqz s HIS 174 Cb -0.04 -0.08 -0.01 0.00 -1.43 0.00 0.00 32.58 31.02 3kqz s HIS 174 CO 0.04 -0.20 -0.15 -0.06 -2.00 0.00 0.00 174.74 172.37 3kqz s PHE 175 N -1.07 1.31 0.18 0.38 0.08 0.18 -4.93 117.98 114.11 3kqz s PHE 175 Ca -0.12 -0.28 -0.12 0.00 0.12 0.00 0.00 56.93 56.53 3kqz s PHE 175 Cb -0.07 -0.82 -0.07 0.00 -0.57 0.00 0.00 43.02 41.49 3kqz s PHE 175 CO 0.00 0.00 0.55 0.71 -0.10 0.00 0.00 175.22 176.38 3kqz s TYR 176 N -0.50 3.52 0.03 0.36 2.02 -1.26 -0.22 117.35 121.31 3kqz s TYR 176 Ca 0.05 0.98 -0.28 0.00 -0.37 0.00 0.00 57.07 57.44 3kqz s TYR 176 Cb -0.06 -2.32 0.09 0.00 -0.40 0.00 0.00 41.96 39.27 3kqz s TYR 176 CO 0.00 0.36 1.03 0.00 -1.57 0.00 0.00 175.55 175.37 3kqz s MET 177 N -2.34 0.83 0.08 -0.62 0.23 -0.33 -5.00 119.30 112.14 3kqz s MET 177 Ca 0.42 -0.40 -0.05 0.00 -1.03 0.00 0.00 55.69 54.63 3kqz s MET 177 Cb -0.13 0.32 -0.05 0.00 -1.53 0.00 0.00 34.83 33.43 3kqz s MET 177 CO 0.20 -0.37 0.31 -0.06 -2.03 0.00 0.00 175.02 173.07 3kqz s PHE 178 N -2.97 3.52 0.36 3.16 0.08 -1.26 -0.61 117.98 120.27 3kqz s PHE 178 Ca 0.10 0.52 0.04 0.00 0.12 0.00 0.00 56.93 57.72 3kqz s PHE 178 Cb -0.00 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.53 3kqz s PHE 178 CO -0.03 0.52 0.37 0.27 -0.10 0.00 0.00 175.22 176.25 3kqz n ASN 179 N 0.51 1.78 0.14 1.36 6.94 -0.61 -4.80 115.26 120.58 3kqz n ASN 179 Ca -0.06 -2.11 0.02 0.00 -0.02 0.00 0.00 54.58 52.41 3kqz n ASN 179 Cb 0.52 -0.13 0.12 0.00 -2.36 0.00 0.00 39.78 37.93 3kqz n ASN 179 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3kqz n ASP 180 N -2.19 0.12 -0.69 0.53 9.92 -1.26 0.33 116.55 123.32 3kqz n ASP 180 Ca 0.04 0.33 0.07 0.00 -0.53 0.00 0.00 54.79 54.70 3kqz n ASP 180 Cb 0.39 -0.19 0.12 0.00 -0.64 0.00 0.00 41.12 40.80 3kqz n ASP 180 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3kqz n ASN 181 N -1.74 2.66 -2.83 -2.24 3.02 -1.26 -4.92 115.26 107.95 3kqz n ASN 181 Ca -0.00 -1.79 -0.22 0.00 -0.03 0.00 0.00 54.58 52.54 3kqz n ASN 181 Cb 0.54 -0.14 0.02 0.00 -0.61 0.00 0.00 39.78 39.58 3kqz n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqz n LYS 182 N 0.79 -3.71 -3.80 3.52 2.85 0.15 -4.98 118.16 112.99 3kqz n LYS 182 Ca 0.11 0.90 -0.26 0.00 -1.05 0.00 0.00 58.31 58.01 3kqz n LYS 182 Cb 0.41 -5.68 -0.03 0.00 -0.65 0.00 0.00 35.03 29.08 3kqz n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqz s ASN 183 N -2.47 6.36 -0.35 -5.58 0.01 -1.25 -4.79 114.94 106.85 3kqz s ASN 183 Ca 0.20 0.28 -0.26 0.00 -0.71 0.00 0.00 52.86 52.38 3kqz s ASN 183 Cb -0.09 -1.96 0.01 0.00 0.41 0.00 0.00 41.25 39.62 3kqz s ASN 183 CO 0.25 -0.03 0.91 -0.55 -1.51 0.00 0.00 177.10 176.18 3kqz s SER 184 N -3.33 6.70 0.07 -1.22 0.15 -1.26 -1.57 113.70 113.24 3kqz s SER 184 Ca 0.37 0.64 0.05 0.00 0.70 0.00 0.00 55.95 57.71 3kqz s SER 184 Cb -0.11 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.70 3kqz s SER 184 CO 0.29 -0.81 -0.06 -0.69 1.20 0.00 0.00 173.24 173.17 3kqz s VAL 185 N 3.38 3.62 -0.07 4.45 1.01 0.22 -4.29 120.40 128.73 3kqz s VAL 185 Ca 0.38 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.37 3kqz s VAL 185 Cb -0.12 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3kqz s VAL 185 CO 0.17 0.20 -0.24 0.00 0.00 0.00 0.00 175.10 175.23 3kqz s ALA 186 N -1.17 2.14 -0.00 5.51 0.00 0.46 -1.19 121.76 127.51 3kqz s ALA 186 Ca 0.21 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3kqz s ALA 186 Cb -0.11 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 3kqz s ALA 186 CO 0.13 0.37 -0.02 0.08 0.00 0.00 0.00 175.76 176.32 3kqz s VAL 187 N -0.00 0.17 0.00 0.00 1.01 0.70 0.03 120.40 122.30 3kqz s VAL 187 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3kqz s VAL 187 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 36.38 36.08 3kqz s VAL 187 CO 0.05 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.81 3kqz n GLY 188 N 3.04 1.27 3.14 4.51 0.00 0.02 0.49 105.19 117.67 3kqz n GLY 188 Ca -0.13 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 3kqz n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kqz s TYR 189 N -3.56 0.21 -0.11 1.61 1.13 -0.56 -1.15 117.35 114.91 3kqz s TYR 189 Ca 0.00 -0.56 0.02 0.00 -1.41 0.00 0.00 57.07 55.13 3kqz s TYR 189 Cb 0.00 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 3kqz s TYR 189 CO 0.00 -0.41 -0.19 0.08 -2.51 0.00 0.00 175.55 172.52 3kqz s VAL 190 N -3.02 2.56 0.22 -3.49 1.01 -0.73 -2.70 120.40 114.27 3kqz s VAL 190 Ca -0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 3kqz s VAL 190 Cb 0.01 -2.02 -0.09 0.00 0.00 0.00 0.00 36.38 34.28 3kqz s VAL 190 CO -0.06 0.55 1.19 -0.83 0.00 0.00 0.00 175.10 175.94 3kqz s GLY 191 N 0.22 2.79 -0.22 4.51 0.00 -0.13 -2.24 107.32 112.25 3kqz s GLY 191 Ca -0.12 0.98 0.11 0.00 0.00 0.00 0.00 44.72 45.69 3kqz s GLY 191 CO 0.06 1.78 1.23 0.00 0.00 0.00 0.00 173.10 176.18 3kqz n GLY 193 N -1.10 0.06 0.09 0.00 0.00 -0.86 -4.38 105.19 99.01 3kqz n GLY 193 Ca 0.21 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 3kqz n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kqz n SER 194 N -2.01 0.65 -4.73 1.61 7.64 -1.26 -2.55 113.62 112.97 3kqz n SER 194 Ca 0.00 0.30 -0.40 0.00 1.01 0.00 0.00 58.87 59.78 3kqz n SER 194 Cb 0.00 0.27 -0.04 0.00 -1.01 0.00 0.00 64.21 63.43 3kqz n SER 194 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kqz s VAL 195 N -2.66 4.83 -1.47 0.44 1.01 -1.26 -3.38 120.40 117.91 3kqz s VAL 195 Ca -0.06 1.72 0.29 0.00 0.00 0.00 0.00 61.98 63.93 3kqz s VAL 195 Cb 0.08 -4.16 0.39 0.00 0.00 0.00 0.00 36.38 32.69 3kqz s VAL 195 CO 0.83 0.28 1.85 0.00 0.00 0.00 0.00 175.10 178.06 3kqz n ALA 196 N 3.34 2.74 -3.01 5.51 0.00 -1.26 -4.52 120.51 123.31 3kqz n ALA 196 Ca 0.00 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 52.87 3kqz n ALA 196 Cb 0.51 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.48 3kqz n ALA 196 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kqz s ASP 197 N -2.61 4.63 -0.09 0.00 1.47 -1.26 -4.29 116.67 114.53 3kqz s ASP 197 Ca 0.25 -0.18 -0.00 0.00 1.18 0.00 0.00 52.55 53.80 3kqz s ASP 197 Cb 0.20 -1.75 -0.03 0.00 -0.34 0.00 0.00 42.92 41.00 3kqz s ASP 197 CO 0.50 0.15 -0.06 -0.22 0.68 0.00 0.00 175.17 176.23 3kqz s LEU 198 N 0.44 3.22 0.34 2.11 2.96 -1.26 -5.11 118.68 121.38 3kqz s LEU 198 Ca -0.05 -0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.66 3kqz s LEU 198 Cb -0.15 -1.72 -0.09 0.00 0.50 0.00 0.00 46.19 44.73 3kqz s LEU 198 CO 0.03 0.33 0.80 -0.94 -1.32 0.00 0.00 176.35 175.25 3kqz s SER 199 N -0.59 6.89 0.10 3.68 1.04 -1.26 -4.87 113.70 118.69 3kqz s SER 199 Ca 0.09 1.44 0.01 0.00 0.48 0.00 0.00 55.95 57.98 3kqz s SER 199 Cb -0.12 -2.44 0.26 0.00 0.10 0.00 0.00 66.02 63.83 3kqz s SER 199 CO 0.02 -0.21 0.48 1.21 0.98 0.00 0.00 173.24 175.72 3kqz n GLU 200 N -0.24 -0.02 0.01 4.02 0.00 -1.26 -0.25 120.64 122.89 3kqz n GLU 200 Ca 0.04 0.46 -0.12 0.00 0.00 0.00 0.00 57.16 57.53 3kqz n GLU 200 Cb 0.53 -0.74 -0.14 0.00 0.00 0.00 0.00 31.44 31.09 3kqz n GLU 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kqz h ALA 201 N 0.61 0.58 -0.20 4.31 0.00 -1.94 -2.58 119.26 120.05 3kqz h ALA 201 Ca 0.20 -1.32 -0.10 0.00 0.00 0.00 0.00 54.91 53.69 3kqz h ALA 201 Cb 0.43 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3kqz h ALA 201 CO -0.28 1.42 -0.27 -0.44 0.00 0.00 0.00 179.25 179.69 3kqz h ASP 202 N 0.02 0.58 -0.85 0.00 3.45 -1.34 -2.42 116.42 115.86 3kqz h ASP 202 Ca -0.26 -0.51 0.05 0.00 0.43 0.00 0.00 57.03 56.74 3kqz h ASP 202 Cb 1.98 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 40.54 3kqz h ASP 202 CO 0.10 0.97 0.56 -0.03 -1.57 0.00 0.00 179.24 179.27 3kqz h MET 203 N 0.20 0.98 -0.36 3.56 4.05 -0.71 0.73 114.93 123.38 3kqz h MET 203 Ca 0.02 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.42 3kqz h MET 203 Cb 0.83 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 31.37 3kqz h MET 203 CO 0.06 0.65 0.13 0.87 0.23 0.00 0.00 176.91 178.86 3kqz h LYS 204 N 1.01 0.28 -0.35 0.39 6.56 -1.39 -0.05 116.57 123.03 3kqz h LYS 204 Ca 0.35 -0.02 -0.07 0.00 -1.06 0.00 0.00 60.65 59.86 3kqz h LYS 204 Cb 0.10 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 31.68 3kqz h LYS 204 CO -0.11 0.19 -0.06 0.00 -2.06 0.00 0.00 179.45 177.41 3kqz h ARG 205 N 0.29 0.58 0.01 3.15 3.08 -0.76 -0.16 114.38 120.57 3kqz h ARG 205 Ca 0.16 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kqz h ARG 205 Cb 0.13 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3kqz h ARG 205 CO -0.16 0.64 -0.00 0.28 -1.07 0.00 0.00 179.97 179.66 3kqz h VAL 206 N 0.54 1.10 -0.45 2.04 2.07 -0.32 -2.82 116.25 118.42 3kqz h VAL 206 Ca 0.11 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 3kqz h VAL 206 Cb 0.43 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3kqz h VAL 206 CO 0.02 0.08 0.19 0.58 0.02 0.00 0.00 177.57 178.47 3kqz h VAL 207 N -0.15 1.20 -0.95 2.57 2.07 -0.60 -2.17 116.25 118.23 3kqz h VAL 207 Ca -0.00 -0.59 0.13 0.00 0.82 0.00 0.00 66.70 67.06 3kqz h VAL 207 Cb 0.14 0.75 -0.09 0.00 -1.52 0.00 0.00 31.29 30.57 3kqz h VAL 207 CO 0.00 0.22 0.57 -0.07 0.02 0.00 0.00 177.57 178.31 3kqz h LEU 208 N 0.58 0.79 -0.34 2.57 3.38 -1.05 0.75 115.31 122.00 3kqz h LEU 208 Ca 0.15 0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.10 3kqz h LEU 208 Cb 0.17 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3kqz h LEU 208 CO -0.01 0.39 -0.13 -1.28 0.09 0.00 0.00 178.44 177.49 3kqz h SER 209 N 0.85 0.70 -0.59 -0.43 0.87 -1.29 -0.53 113.55 113.14 3kqz h SER 209 Ca 0.49 -0.39 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 3kqz h SER 209 Cb 0.57 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 3kqz h SER 209 CO -0.30 0.93 0.03 0.25 -0.53 0.00 0.00 176.83 177.21 3kqz h LEU 210 N 0.46 0.99 -0.75 2.23 5.85 -0.49 -2.74 115.31 120.86 3kqz h LEU 210 Ca 0.08 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3kqz h LEU 210 Cb 0.65 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 3kqz h LEU 210 CO 0.04 1.04 0.46 0.58 -0.34 0.00 0.00 178.44 180.22 3kqz h VAL 211 N 0.91 1.21 -0.69 1.05 2.07 0.49 -2.08 116.25 119.21 3kqz h VAL 211 Ca 0.17 -0.46 0.15 0.00 0.82 0.00 0.00 66.70 67.38 3kqz h VAL 211 Cb 0.51 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 30.32 3kqz h VAL 211 CO 0.02 0.22 0.00 0.74 0.02 0.00 0.00 177.57 178.58 3kqz h THR 212 N 1.03 0.41 -0.38 2.57 2.02 -0.80 0.21 112.91 117.97 3kqz h THR 212 Ca 0.27 -0.04 -0.06 0.00 0.77 0.00 0.00 66.41 67.36 3kqz h THR 212 Cb -0.04 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 3kqz h THR 212 CO -0.05 0.02 0.01 0.24 0.37 0.00 0.00 175.52 176.11 3kqz h MET 213 N 0.11 0.66 0.00 6.66 2.07 -1.19 -2.10 114.93 121.14 3kqz h MET 213 Ca 0.37 -0.20 -0.04 0.00 -2.07 0.00 0.00 59.70 57.76 3kqz h MET 213 Cb 0.63 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.29 3kqz h MET 213 CO -0.60 0.75 -0.18 -0.07 1.07 0.00 0.00 176.91 177.88 3kqz h LEU 214 N 0.48 0.00 -0.50 1.22 3.38 -0.63 -2.76 115.31 116.50 3kqz h LEU 214 Ca 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3kqz h LEU 214 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3kqz h LEU 214 CO 0.02 0.18 -0.30 0.45 0.09 0.00 0.00 178.44 178.88 3kqz h HIS 215 N 0.00 0.00 -0.24 1.13 3.86 0.04 -3.24 115.15 116.70 3kqz h HIS 215 Ca -0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.13 3kqz h HIS 215 Cb 0.34 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 3kqz h HIS 215 CO 0.00 0.30 -0.07 -0.40 0.86 0.00 0.00 177.93 178.62 3kqz n ASP 216 N -3.27 2.87 -3.85 2.45 5.68 -1.01 -4.96 116.55 114.46 3kqz n ASP 216 Ca 0.01 -3.42 -0.17 0.00 -0.50 0.00 0.00 54.79 50.72 3kqz n ASP 216 Cb 0.57 -0.56 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 3kqz n ASP 216 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 3kqz s ASN 217 N -2.44 0.46 -0.15 -1.12 0.01 -1.06 -5.06 114.94 105.57 3kqz s ASN 217 Ca 0.41 -0.04 -0.29 0.00 -0.71 0.00 0.00 52.86 52.23 3kqz s ASN 217 Cb 0.36 -0.20 -0.01 0.00 0.41 0.00 0.00 41.25 41.81 3kqz s ASN 217 CO 0.03 -0.06 0.99 -0.54 -1.51 0.00 0.00 177.10 176.00 3kqz s LYS 218 N 0.75 4.36 -0.05 -0.60 3.01 -1.26 -4.84 119.74 121.10 3kqz s LYS 218 Ca -0.08 1.32 -0.04 0.00 -1.01 0.00 0.00 55.97 56.16 3kqz s LYS 218 Cb -0.11 -3.58 0.02 0.00 -1.01 0.00 0.00 37.83 33.15 3kqz s LYS 218 CO -0.01 -0.41 0.14 -0.51 0.51 0.00 0.00 175.35 175.07 3kqz s LEU 219 N 2.37 1.33 -0.01 3.17 1.43 -1.26 -5.02 118.68 120.69 3kqz s LEU 219 Ca 0.45 0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 53.61 3kqz s LEU 219 Cb -0.17 0.45 -0.20 0.00 0.03 0.00 0.00 46.19 46.30 3kqz s LEU 219 CO 0.14 -0.07 1.15 0.77 0.23 0.00 0.00 176.35 178.57 3kqz h SER 220 N 6.18 0.30 -4.16 2.29 4.64 -1.95 -3.33 113.55 117.53 3kqz h SER 220 Ca -0.28 -0.67 -0.59 0.00 -0.47 0.00 0.00 61.79 59.78 3kqz h SER 220 Cb 1.19 -0.09 -0.23 0.00 -0.31 0.00 0.00 62.40 62.96 3kqz h SER 220 CO 0.42 0.92 -0.84 -0.75 -0.87 0.00 0.00 176.83 175.71 3kqz s LYS 221 N -3.56 1.23 -0.03 4.77 2.36 -1.26 0.60 119.74 123.85 3kqz s LYS 221 Ca -0.15 -1.16 0.05 0.00 -2.55 0.00 0.00 55.97 52.16 3kqz s LYS 221 Cb 0.03 -1.51 -0.01 0.00 -1.05 0.00 0.00 37.83 35.29 3kqz s LYS 221 CO 0.75 0.36 -0.17 -1.17 1.55 0.00 0.00 175.35 176.67 3kqz s LEU 222 N -1.79 1.98 0.09 5.43 2.96 -0.01 -0.55 118.68 126.78 3kqz s LEU 222 Ca 0.08 -0.33 0.07 0.00 -0.22 0.00 0.00 54.13 53.74 3kqz s LEU 222 Cb -0.10 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 3kqz s LEU 222 CO 0.04 0.19 -0.19 0.28 -1.32 0.00 0.00 176.35 175.34 3kqz s THR 223 N -0.22 1.57 -0.07 3.68 -1.32 0.87 -1.01 115.64 119.15 3kqz s THR 223 Ca 0.02 -1.44 0.02 0.00 -1.21 0.00 0.00 61.69 59.09 3kqz s THR 223 Cb -0.09 -1.43 0.01 0.00 -1.51 0.00 0.00 72.50 69.48 3kqz s THR 223 CO 0.00 -0.06 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.53 3kqz s VAL 224 N -1.13 1.23 -0.20 5.08 1.01 0.70 -0.90 120.40 126.19 3kqz s VAL 224 Ca 0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 3kqz s VAL 224 Cb -0.10 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.17 3kqz s VAL 224 CO 0.03 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.72 3kqz s VAL 225 N 0.61 2.92 -0.59 2.92 1.01 0.62 0.10 120.40 127.99 3kqz s VAL 225 Ca -0.15 -0.65 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 3kqz s VAL 225 Cb -0.16 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 33.99 3kqz s VAL 225 CO 0.04 0.47 0.86 -0.36 0.00 0.00 0.00 175.10 176.11 3kqz s PHE 226 N 1.34 2.82 -0.46 5.22 0.40 0.51 -0.05 117.98 127.76 3kqz s PHE 226 Ca 0.04 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 3kqz s PHE 226 Cb -0.14 -4.05 0.55 0.00 0.51 0.00 0.00 43.02 39.89 3kqz s PHE 226 CO -0.06 -1.40 1.77 0.39 0.70 0.00 0.00 175.22 176.62 3kqz n GLU 227 N 7.16 2.40 -3.81 0.44 1.02 -0.56 -4.80 120.64 122.49 3kqz n GLU 227 Ca -0.04 -3.25 -0.12 0.00 -0.02 0.00 0.00 57.16 53.73 3kqz n GLU 227 Cb 0.45 -2.13 -0.10 0.00 -0.02 0.00 0.00 31.44 29.65 3kqz n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kqz s ILE 228 N -3.85 0.06 0.24 -3.67 -4.36 -1.24 -4.51 121.20 103.86 3kqz s ILE 228 Ca 0.56 -0.51 -0.29 0.00 -0.26 0.00 0.00 60.65 60.15 3kqz s ILE 228 Cb 0.46 -0.50 -0.09 0.00 1.25 0.00 0.00 42.46 43.58 3kqz s ILE 228 CO 0.04 -0.28 0.92 0.20 0.24 0.00 0.00 174.94 176.07 3kqz s ASN 229 N -1.16 7.62 -0.10 4.36 -0.87 -1.26 -5.06 114.94 118.46 3kqz s ASN 229 Ca -0.12 1.92 -0.06 0.00 -1.57 0.00 0.00 52.86 53.03 3kqz s ASN 229 Cb -0.06 -2.60 0.04 0.00 -0.02 0.00 0.00 41.25 38.61 3kqz s ASN 229 CO 0.03 0.16 0.24 0.68 -2.57 0.00 0.00 177.10 175.63 3kqz s VAL 230 N -1.19 -0.03 0.66 1.60 -7.23 -1.26 -4.72 120.40 108.23 3kqz s VAL 230 Ca 0.41 0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.52 3kqz s VAL 230 Cb -0.25 -0.37 -0.15 0.00 0.56 0.00 0.00 36.38 36.17 3kqz s VAL 230 CO 0.31 0.05 -0.31 -0.67 -0.31 0.00 0.00 175.10 174.17 3kqz n ASP 231 N 3.96 -4.31 -0.28 4.85 4.64 -1.26 -4.80 116.55 119.36 3kqz n ASP 231 Ca -0.23 0.51 -0.02 0.00 -1.38 0.00 0.00 54.79 53.67 3kqz n ASP 231 Cb 0.54 -0.83 0.09 0.00 -1.04 0.00 0.00 41.12 39.88 3kqz n ASP 231 CO 0.00 0.00 0.00 0.07 -0.82 0.00 0.00 177.20 176.45 3kqz h LYS 232 N -0.32 0.93 -0.36 -0.67 2.10 -2.00 -2.17 116.57 114.07 3kqz h LYS 232 Ca -0.42 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.15 3kqz h LYS 232 Cb 1.40 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 32.50 3kqz h LYS 232 CO 0.36 0.61 0.10 -0.91 -2.00 0.00 0.00 179.45 177.62 3kqz h ASN 233 N 0.95 0.48 0.77 7.07 2.35 -1.92 -2.71 115.58 122.57 3kqz h ASN 233 Ca 0.31 -0.06 -0.25 0.00 -0.55 0.00 0.00 56.30 55.75 3kqz h ASN 233 Cb 0.02 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3kqz h ASN 233 CO -0.11 0.47 -1.24 0.25 -1.65 0.00 0.00 177.43 175.15 3kqz h LEU 234 N 0.52 0.14 0.84 1.61 5.85 -1.86 -1.94 115.31 120.47 3kqz h LEU 234 Ca 0.12 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3kqz h LEU 234 Cb 0.17 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kqz h LEU 234 CO -0.01 1.14 -0.40 0.15 -0.34 0.00 0.00 178.44 178.98 3kqz h PHE 235 N 0.02 -1.05 -0.81 1.25 3.57 -1.22 0.21 116.94 118.92 3kqz h PHE 235 Ca -0.11 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.54 3kqz h PHE 235 Cb 1.88 0.35 -0.15 0.00 2.79 0.00 0.00 35.95 40.82 3kqz h PHE 235 CO 0.02 -0.65 -0.13 -0.09 -2.23 0.00 0.00 178.31 175.24 3kqz h ARG 236 N -1.14 0.03 -0.19 1.11 2.43 -1.52 0.12 114.38 115.22 3kqz h ARG 236 Ca -0.12 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 3kqz h ARG 236 Cb 0.87 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3kqz h ARG 236 CO 0.19 0.02 0.10 0.35 -1.51 0.00 0.00 179.97 179.11 3kqz h PHE 237 N 0.03 0.18 -0.38 2.20 3.57 -0.78 0.52 116.94 122.28 3kqz h PHE 237 Ca 0.41 0.01 0.08 0.00 3.53 0.00 0.00 57.97 62.00 3kqz h PHE 237 Cb 0.68 -0.05 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 3kqz h PHE 237 CO -0.56 0.10 -0.29 0.35 -2.23 0.00 0.00 178.31 175.67 3kqz h PHE 238 N 0.21 -0.80 -0.06 0.41 3.57 0.53 0.36 116.94 121.16 3kqz h PHE 238 Ca 0.08 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3kqz h PHE 238 Cb 0.01 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3kqz h PHE 238 CO -0.09 -0.36 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.54 3kqz h LEU 239 N -0.23 -0.07 -0.49 0.59 4.07 0.83 0.20 115.31 120.20 3kqz h LEU 239 Ca 0.18 0.02 0.07 0.00 0.08 0.00 0.00 57.88 58.23 3kqz h LEU 239 Cb 0.52 0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.24 3kqz h LEU 239 CO -0.51 -0.03 0.16 -0.33 -1.08 0.00 0.00 178.44 176.64 3kqz h GLU 240 N -0.01 0.31 -0.35 1.13 5.08 0.34 -0.31 114.58 120.78 3kqz h GLU 240 Ca 0.03 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 3kqz h GLU 240 Cb 0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3kqz h GLU 240 CO -0.07 0.20 -0.38 1.15 -1.00 0.00 0.00 179.01 178.91 3kqz h THR 241 N 0.32 1.28 0.53 1.13 2.02 0.01 -1.20 112.91 117.00 3kqz h THR 241 Ca 0.24 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 3kqz h THR 241 Cb 0.27 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3kqz h THR 241 CO -0.26 0.51 -0.31 0.25 0.37 0.00 0.00 175.52 176.08 3kqz h LEU 242 N 0.68 -0.77 -0.23 2.58 5.85 0.05 0.33 115.31 123.79 3kqz h LEU 242 Ca 0.06 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.88 3kqz h LEU 242 Cb 0.95 0.22 -0.06 0.00 0.37 0.00 0.00 40.66 42.15 3kqz h LEU 242 CO 0.09 -0.50 -0.15 -0.26 -0.34 0.00 0.00 178.44 177.28 3kqz h PHE 243 N -0.79 -0.39 -0.16 1.25 0.04 -1.07 0.66 116.94 116.49 3kqz h PHE 243 Ca -0.06 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 3kqz h PHE 243 Cb 0.64 0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.99 3kqz h PHE 243 CO -0.09 -0.23 0.07 -0.92 -0.60 0.00 0.00 178.31 176.55 3kqz h TYR 244 N -0.14 0.24 0.00 -0.55 3.20 -1.13 0.20 116.97 118.79 3kqz h TYR 244 Ca 0.13 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3kqz h TYR 244 Cb 0.34 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3kqz h TYR 244 CO -0.32 0.30 -0.19 0.93 -1.64 0.00 0.00 178.16 177.24 3kqz h GLU 245 N 0.11 0.00 0.13 1.82 4.39 -0.19 -3.13 114.58 117.71 3kqz h GLU 245 Ca 0.05 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.43 3kqz h GLU 245 Cb 0.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 3kqz h GLU 245 CO -0.01 0.19 -1.68 -0.92 -1.16 0.00 0.00 179.01 175.43 3kqz h TYR 246 N 0.00 0.49 -2.80 4.33 3.20 -0.62 -3.45 116.97 118.13 3kqz h TYR 246 Ca -0.00 -0.36 -0.52 0.00 3.14 0.00 0.00 58.73 60.99 3kqz h TYR 246 Cb 0.65 -0.02 0.04 0.00 1.54 0.00 0.00 36.73 38.95 3kqz h TYR 246 CO 0.00 1.49 0.90 1.41 -1.64 0.00 0.00 178.16 180.32 3kqz s MET 247 N -2.60 4.20 -0.01 1.82 1.75 0.04 -5.01 119.30 119.49 3kqz s MET 247 Ca -0.13 2.39 0.05 0.00 -1.25 0.00 0.00 55.69 56.76 3kqz s MET 247 Cb 0.06 -3.15 -0.03 0.00 2.84 0.00 0.00 34.83 34.56 3kqz s MET 247 CO 0.84 -0.63 -0.17 0.95 -0.65 0.00 0.00 175.02 175.36 3kqz s THR 248 N 1.17 2.88 -0.40 10.11 -4.23 -1.26 -4.92 115.64 118.99 3kqz s THR 248 Ca 0.71 -0.94 -0.17 0.00 -1.18 0.00 0.00 61.69 60.10 3kqz s THR 248 Cb -0.44 -2.16 0.01 0.00 1.34 0.00 0.00 72.50 71.25 3kqz s THR 248 CO 0.31 0.48 0.45 -0.62 -0.54 0.00 0.00 174.62 174.71 3kqz s ASP 249 N -1.03 6.22 0.00 3.99 -1.08 -1.26 -4.91 116.67 118.60 3kqz s ASP 249 Ca 0.13 -0.45 0.03 0.00 -0.52 0.00 0.00 52.55 51.74 3kqz s ASP 249 Cb -0.11 -2.23 0.08 0.00 -1.46 0.00 0.00 42.92 39.20 3kqz s ASP 249 CO 0.03 -0.54 1.02 -0.62 0.52 0.00 0.00 175.17 175.58 3kqz n GLU 250 N 5.65 2.59 0.30 4.34 -0.58 -1.26 -4.76 120.64 126.91 3kqz n GLU 250 Ca -0.07 -1.55 0.18 0.00 -0.42 0.00 0.00 57.16 55.31 3kqz n GLU 250 Cb 0.48 -1.07 0.94 0.00 -0.57 0.00 0.00 31.44 31.22 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3kqz h ARG 251 N 0.56 0.00 -0.02 3.49 3.08 -1.98 -2.51 114.38 117.00 3kqz h ARG 251 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqz h ARG 251 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kqz h ARG 251 CO 0.00 0.03 0.00 1.19 -1.07 0.00 0.00 179.97 180.12 3kqz n PHE 252 N -3.30 0.02 -2.58 3.04 3.01 -1.26 -4.94 117.46 111.46 3kqz n PHE 252 Ca -0.02 -0.06 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 3kqz n PHE 252 Cb 0.17 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.60 3kqz n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kqz s LYS 253 N -0.46 4.53 0.00 -1.08 -0.14 -0.95 -5.26 119.74 116.38 3kqz s LYS 253 Ca 0.06 1.60 0.00 0.00 -1.36 0.00 0.00 55.97 56.27 3kqz s LYS 253 Cb 0.04 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.81 3kqz s LYS 253 CO 0.06 -0.08 1.19 -1.13 -0.76 0.00 0.00 175.35 174.63 3kqz n SER 254 N 3.54 3.26 0.00 2.83 3.41 -1.26 -5.05 113.62 120.35 3kqz n SER 254 Ca 0.06 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.86 3kqz n SER 254 Cb 0.48 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 3kqz n SER 254 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kqz n GLU 262 N 1.31 0.00 -2.74 4.33 1.02 -1.26 -5.17 120.64 118.13 3kqz n GLU 262 Ca 0.00 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 3kqz n GLU 262 Cb 0.36 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.77 3kqz n GLU 262 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3kqz s TYR 263 N -0.07 3.54 0.49 -0.32 2.02 -1.26 -4.67 117.35 117.08 3kqz s TYR 263 Ca 0.00 0.81 -0.23 0.00 -0.37 0.00 0.00 57.07 57.27 3kqz s TYR 263 Cb 0.00 -2.29 -0.07 0.00 -0.40 0.00 0.00 41.96 39.21 3kqz s TYR 263 CO 0.00 -0.21 1.34 0.96 -1.57 0.00 0.00 175.55 176.07 3kqz s ILE 264 N -2.64 2.30 -0.54 2.71 -4.36 -1.25 -4.87 121.20 112.55 3kqz s ILE 264 Ca 0.47 0.24 0.20 0.00 -0.26 0.00 0.00 60.65 61.30 3kqz s ILE 264 Cb -0.10 -3.13 -0.26 0.00 1.25 0.00 0.00 42.46 40.22 3kqz s ILE 264 CO 0.42 0.01 0.66 0.29 0.24 0.00 0.00 174.94 176.57 3kqz n LYS 265 N -0.58 0.57 -4.17 0.37 4.01 0.20 -4.62 118.16 113.94 3kqz n LYS 265 Ca 0.08 -0.08 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 3kqz n LYS 265 Cb 0.44 -1.45 -0.16 0.00 -0.51 0.00 0.00 35.03 33.36 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 3kqz s HIS 266 N -3.09 0.69 -0.15 2.13 3.76 -1.03 -1.81 115.29 115.79 3kqz s HIS 266 Ca 0.01 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 3kqz s HIS 266 Cb 0.14 -0.59 0.01 0.00 1.11 0.00 0.00 32.58 33.25 3kqz s HIS 266 CO 0.82 -0.15 -0.21 -1.17 -0.85 0.00 0.00 174.74 173.18 3kqz s LEU 267 N 0.73 2.16 0.03 0.89 2.96 -0.66 -0.83 118.68 123.95 3kqz s LEU 267 Ca -0.09 -0.59 0.06 0.00 -0.22 0.00 0.00 54.13 53.28 3kqz s LEU 267 Cb -0.13 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3kqz s LEU 267 CO 0.00 0.07 -0.14 -0.83 -1.32 0.00 0.00 176.35 174.14 3kqz s GLY 268 N 0.86 1.65 -0.06 7.98 0.00 -0.18 -1.74 107.32 115.83 3kqz s GLY 268 Ca -0.06 -1.14 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 3kqz s GLY 268 CO -0.03 -1.03 -0.00 0.14 0.00 0.00 0.00 173.10 172.18 3kqz s VAL 269 N -0.97 0.37 -0.50 1.40 1.01 -0.37 -0.22 120.40 121.12 3kqz s VAL 269 Ca 0.16 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.06 3kqz s VAL 269 Cb -0.11 -0.50 0.08 0.00 0.00 0.00 0.00 36.38 35.85 3kqz s VAL 269 CO 0.07 0.24 0.47 -0.31 0.00 0.00 0.00 175.10 175.57 3kqz s TYR 270 N 1.72 3.20 0.00 5.22 1.51 0.12 0.15 117.35 129.26 3kqz s TYR 270 Ca 0.01 -0.92 0.00 0.00 -1.01 0.00 0.00 57.07 55.15 3kqz s TYR 270 Cb -0.13 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.33 3kqz s TYR 270 CO -0.04 -0.90 0.00 1.51 -1.11 0.00 0.00 175.55 175.01 3kqz n ILE 271 N 5.30 0.00 0.00 2.71 0.13 -0.29 -0.37 119.36 126.85 3kqz n ILE 271 Ca -0.11 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.54 3kqz n ILE 271 Cb 0.43 -0.09 0.00 0.00 -0.84 0.00 0.00 39.64 39.15 3kqz n ILE 271 CO 0.00 0.00 0.00 -3.20 2.80 0.00 0.00 176.55 176.15 3kqz n ASN 272 N 0.00 0.00 -2.77 9.51 5.15 -1.26 -2.57 115.26 123.32 3kqz n ASN 272 Ca 0.00 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.84 3kqz n ASN 272 Cb 0.00 0.00 0.06 0.00 -0.53 0.00 0.00 39.78 39.31 3kqz n ASN 272 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kqz n ASN 273 N 0.00 -3.26 0.00 1.20 3.02 -1.26 -4.88 115.26 110.08 3kqz n ASN 273 Ca 0.00 -0.43 0.08 0.00 -0.03 0.00 0.00 54.58 54.20 3kqz n ASN 273 Cb 0.00 -3.85 0.48 0.00 -0.61 0.00 0.00 39.78 35.80 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqz n ALA 274 N -3.69 2.14 0.11 5.41 0.00 -1.26 -0.36 120.51 122.86 3kqz n ALA 274 Ca -0.13 -0.10 -0.24 0.00 0.00 0.00 0.00 53.44 52.98 3kqz n ALA 274 Cb 0.59 -1.26 -0.15 0.00 0.00 0.00 0.00 19.45 18.63 3kqz n ALA 274 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3kqz h ASP 275 N 0.00 0.72 -0.48 0.00 3.04 -1.95 -3.10 116.42 114.65 3kqz h ASP 275 Ca 0.00 -0.93 0.14 0.00 -3.24 0.00 0.00 57.03 53.00 3kqz h ASP 275 Cb 0.00 -0.24 -0.02 0.00 -1.04 0.00 0.00 39.33 38.03 3kqz h ASP 275 CO 0.00 1.70 0.40 0.74 -2.04 0.00 0.00 179.24 180.05 3kqz h THR 276 N 0.06 0.57 0.00 1.15 2.02 -1.06 -3.26 112.91 112.40 3kqz h THR 276 Ca -0.28 0.00 -0.35 0.00 0.77 0.00 0.00 66.41 66.56 3kqz h THR 276 Cb 2.08 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 69.13 3kqz h THR 276 CO 0.23 0.00 -2.30 -1.22 0.37 0.00 0.00 175.52 172.60 3kqz n TYR 277 N -4.08 0.00 -0.14 3.16 4.01 -1.22 -4.59 117.16 114.30 3kqz n TYR 277 Ca 0.09 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.95 3kqz n TYR 277 Cb 0.61 -0.87 0.22 0.00 -0.31 0.00 0.00 39.34 38.99 3kqz n TYR 277 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3kqz n LYS 278 N -3.25 -0.03 0.26 -0.72 4.01 -1.17 0.60 118.16 117.86 3kqz n LYS 278 Ca -0.41 0.60 0.15 0.00 -0.51 0.00 0.00 58.31 58.14 3kqz n LYS 278 Cb 0.92 -1.04 0.65 0.00 -0.51 0.00 0.00 35.03 35.05 3kqz n LYS 278 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 3kqz h GLU 279 N 0.00 0.00 0.00 1.97 -0.00 -1.81 -1.69 114.58 113.05 3kqz h GLU 279 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.70 3kqz h GLU 279 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.61 3kqz h GLU 279 CO -0.34 0.07 0.00 0.93 -0.00 0.00 0.00 179.01 179.67 3kqz h GLU 280 N 0.00 0.00 0.80 1.06 4.39 -0.15 -3.36 114.58 117.32 3kqz h GLU 280 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kqz h GLU 280 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.19 3kqz h GLU 280 CO 0.01 0.00 -0.39 0.28 -1.16 0.00 0.00 179.01 177.75 3kqz h VAL 281 N 0.00 0.13 0.00 3.13 2.07 -1.43 0.50 116.25 120.66 3kqz h VAL 281 Ca 0.00 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3kqz h VAL 281 Cb 0.45 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3kqz h VAL 281 CO 0.00 0.01 -0.20 -0.33 0.02 0.00 0.00 177.57 177.06 3kqz h GLU 282 N -1.18 0.00 -0.48 1.57 4.39 -1.76 -1.84 114.58 115.28 3kqz h GLU 282 Ca -0.11 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.48 3kqz h GLU 282 Cb 0.84 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 3kqz h GLU 282 CO 0.18 0.20 -0.14 -0.22 -1.16 0.00 0.00 179.01 177.87 3kqz h LYS 283 N 0.00 0.95 -0.52 2.33 3.64 -1.67 -1.25 116.57 120.05 3kqz h LYS 283 Ca -0.00 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 3kqz h LYS 283 Cb 0.56 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 3kqz h LYS 283 CO 0.03 1.04 0.28 0.00 -2.27 0.00 0.00 179.45 178.53 3kqz h ALA 284 N 0.88 0.67 -0.42 5.00 0.00 -0.22 0.31 119.26 125.48 3kqz h ALA 284 Ca 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3kqz h ALA 284 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kqz h ALA 284 CO 0.05 0.19 -0.16 -0.09 0.00 0.00 0.00 179.25 179.24 3kqz h ARG 285 N 0.69 0.85 -0.06 0.00 2.43 -1.15 0.41 114.38 117.56 3kqz h ARG 285 Ca 0.18 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3kqz h ARG 285 Cb 0.06 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3kqz h ARG 285 CO -0.03 0.99 0.03 0.28 -1.51 0.00 0.00 179.97 179.73 3kqz h VAL 286 N 0.67 1.11 -0.34 0.20 2.07 -0.81 -1.66 116.25 117.48 3kqz h VAL 286 Ca 0.10 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kqz h VAL 286 Cb 0.72 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 3kqz h VAL 286 CO 0.05 0.09 0.22 1.88 0.02 0.00 0.00 177.57 179.83 3kqz h TYR 287 N -0.03 0.43 0.04 1.57 -1.99 0.04 -1.35 116.97 115.67 3kqz h TYR 287 Ca 0.02 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kqz h TYR 287 Cb 0.12 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 38.71 3kqz h TYR 287 CO -0.03 0.27 -0.02 -0.92 -0.00 0.00 0.00 178.16 177.46 3kqz h TYR 288 N 0.46 -0.05 -0.17 4.88 3.20 0.21 -1.43 116.97 124.08 3kqz h TYR 288 Ca 0.12 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3kqz h TYR 288 Cb -0.04 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3kqz h TYR 288 CO 0.00 0.15 0.05 0.35 -1.64 0.00 0.00 178.16 177.07 3kqz h PHE 289 N -0.24 0.27 -0.96 -3.82 3.57 -0.46 0.33 116.94 115.63 3kqz h PHE 289 Ca -0.01 -0.03 0.25 0.00 3.53 0.00 0.00 57.97 61.72 3kqz h PHE 289 Cb 0.22 -0.08 -0.13 0.00 2.79 0.00 0.00 35.95 38.75 3kqz h PHE 289 CO -0.01 0.38 0.50 0.78 -2.23 0.00 0.00 178.31 177.73 3kqz h GLY 290 N 0.08 1.78 0.92 2.40 0.00 -1.29 1.40 103.07 108.37 3kqz h GLY 290 Ca 0.05 -0.23 -0.12 0.00 0.00 0.00 0.00 47.33 47.03 3kqz h GLY 290 CO -0.00 -0.31 -0.36 -0.84 0.00 0.00 0.00 176.54 175.03 3kqz h THR 291 N 0.45 1.33 -0.14 4.70 2.02 -0.34 -1.95 112.91 118.97 3kqz h THR 291 Ca 0.63 -1.57 -0.21 0.00 0.77 0.00 0.00 66.41 66.03 3kqz h THR 291 Cb 1.25 1.83 0.01 0.00 -1.74 0.00 0.00 68.15 69.50 3kqz h THR 291 CO -0.53 0.49 -0.73 0.22 0.37 0.00 0.00 175.52 175.34 3kqz h TYR 292 N 0.29 1.00 -0.55 3.16 3.20 0.14 -0.89 116.97 123.32 3kqz h TYR 292 Ca 0.01 -0.45 0.01 0.00 3.14 0.00 0.00 58.73 61.45 3kqz h TYR 292 Cb 0.95 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 3kqz h TYR 292 CO 0.09 1.27 0.36 -0.92 -1.64 0.00 0.00 178.16 177.32 3kqz h TYR 293 N 0.45 0.68 -0.61 -3.82 3.20 0.18 0.43 116.97 117.47 3kqz h TYR 293 Ca -0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3kqz h TYR 293 Cb 1.36 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 39.37 3kqz h TYR 293 CO 0.09 0.42 0.36 0.00 -1.64 0.00 0.00 178.16 177.40 3kqz h ALA 294 N 1.21 1.49 -0.01 1.82 0.00 -0.85 -1.18 119.26 121.73 3kqz h ALA 294 Ca 0.20 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.86 3kqz h ALA 294 Cb -0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3kqz h ALA 294 CO -0.05 0.44 -0.81 1.03 0.00 0.00 0.00 179.25 179.86 3kqz h SER 295 N 0.84 0.19 -0.17 0.00 0.87 -0.19 -0.54 113.55 114.55 3kqz h SER 295 Ca 0.22 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 3kqz h SER 295 Cb -0.03 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 3kqz h SER 295 CO -0.04 0.92 -0.04 1.56 -0.53 0.00 0.00 176.83 178.69 3kqz h GLN 296 N 0.09 0.47 -0.01 2.24 4.20 1.00 0.05 115.11 123.15 3kqz h GLN 296 Ca -0.03 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.42 3kqz h GLN 296 Cb 1.41 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 29.13 3kqz h GLN 296 CO 0.12 0.53 -0.59 -0.07 -0.67 0.00 0.00 178.83 178.15 3kqz h LEU 297 N 0.45 0.53 -0.10 1.46 3.38 -0.91 -1.65 115.31 118.47 3kqz h LEU 297 Ca 0.09 -0.75 -0.00 0.00 0.09 0.00 0.00 57.88 57.31 3kqz h LEU 297 Cb 0.36 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kqz h LEU 297 CO 0.02 1.21 0.05 0.40 0.09 0.00 0.00 178.44 180.21 3kqz h ILE 298 N -0.09 1.08 -0.13 1.22 2.04 -0.99 -2.99 117.51 117.65 3kqz h ILE 298 Ca -0.07 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 3kqz h ILE 298 Cb 1.30 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3kqz h ILE 298 CO 0.12 0.07 -0.36 0.00 0.00 0.00 0.00 178.15 177.98 3kqz h ALA 299 N 0.96 1.14 -0.67 1.87 0.00 -1.04 -3.41 119.26 118.11 3kqz h ALA 299 Ca 0.03 -0.38 -0.74 0.00 0.00 0.00 0.00 54.91 53.82 3kqz h ALA 299 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kqz h ALA 299 CO -0.01 0.56 1.23 0.00 0.00 0.00 0.00 179.25 181.04 3kqz n ALA 300 N -2.48 0.29 -0.56 0.00 0.00 -0.62 -4.89 120.51 112.25 3kqz n ALA 300 Ca -0.01 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 3kqz n ALA 300 Cb 0.45 -2.24 0.22 0.00 0.00 0.00 0.00 19.45 17.88 3kqz n ALA 300 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kqz s PRO 301 N 5.44 -0.17 0.57 0.00 0.04 -1.26 -4.55 135.00 135.07 3kqz s PRO 301 Ca 1.12 1.20 0.35 0.00 0.04 0.00 0.00 61.00 63.71 3kqz s PRO 301 Cb -1.23 -1.62 1.65 0.00 0.04 0.00 0.00 34.50 33.34 3kqz s PRO 301 CO 0.62 -3.33 2.10 0.77 0.04 0.00 0.00 177.00 177.21 3kqz h SER 302 N -2.35 0.00 1.55 6.66 0.02 -1.78 0.13 113.55 117.77 3kqz h SER 302 Ca -0.54 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.33 3kqz h SER 302 Cb 1.31 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 3kqz h SER 302 CO 0.46 0.04 -0.41 -0.55 -1.14 0.00 0.00 176.83 175.23 3kqz h ASN 303 N 0.00 0.00 0.25 3.07 -1.07 -1.92 -3.34 115.58 112.57 3kqz h ASN 303 Ca -0.00 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.03 3kqz h ASN 303 Cb 0.35 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.60 3kqz h ASN 303 CO 0.01 0.41 -1.76 1.88 0.07 0.00 0.00 177.43 178.03 3kqz h TYR 304 N 0.00 0.57 -3.65 4.14 0.05 -1.62 -3.41 116.97 113.06 3kqz h TYR 304 Ca -0.00 -0.41 -0.68 0.00 0.05 0.00 0.00 58.73 57.68 3kqz h TYR 304 Cb 1.29 -0.02 -0.35 0.00 1.01 0.00 0.00 36.73 38.67 3kqz h TYR 304 CO 0.00 1.60 -0.64 0.00 -1.05 0.00 0.00 178.16 178.07 3kqz s ASN 306 N 1.43 0.84 0.33 0.00 2.20 -1.26 -4.11 114.94 114.38 3kqz s ASN 306 Ca 0.02 -1.36 0.11 0.00 -0.94 0.00 0.00 52.86 50.69 3kqz s ASN 306 Cb -0.21 0.23 0.93 0.00 -2.00 0.00 0.00 41.25 40.20 3kqz s ASN 306 CO -0.03 -0.75 1.73 -0.65 -2.94 0.00 0.00 177.10 174.46 3kqz h PRO 307 N 2.50 0.53 0.24 3.55 0.11 -1.86 0.21 132.00 137.26 3kqz h PRO 307 Ca -0.37 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3kqz h PRO 307 Cb 1.24 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kqz h PRO 307 CO 0.59 0.35 -0.11 0.28 -0.21 0.00 0.00 178.00 178.89 3kqz h VAL 308 N 0.54 0.55 -0.58 3.15 2.07 -1.95 -1.49 116.25 118.54 3kqz h VAL 308 Ca 0.64 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 67.27 3kqz h VAL 308 Cb 1.29 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 3kqz h VAL 308 CO -0.45 0.14 0.30 0.77 0.02 0.00 0.00 177.57 178.35 3kqz h SER 309 N -0.95 0.42 -0.99 0.57 4.64 -1.64 0.13 113.55 115.72 3kqz h SER 309 Ca -0.03 0.04 0.09 0.00 -0.47 0.00 0.00 61.79 61.41 3kqz h SER 309 Cb 0.47 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.45 3kqz h SER 309 CO 0.05 0.27 0.64 0.25 -0.87 0.00 0.00 176.83 177.17 3kqz h LEU 310 N 0.56 0.98 -0.29 5.97 6.46 -0.66 0.26 115.31 128.58 3kqz h LEU 310 Ca 0.27 0.03 -0.20 0.00 -0.12 0.00 0.00 57.88 57.85 3kqz h LEU 310 Cb 0.19 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3kqz h LEU 310 CO -0.19 0.58 -0.70 0.77 -0.62 0.00 0.00 178.44 178.28 3kqz h SER 311 N 1.08 0.79 -0.59 1.25 4.64 -0.24 -1.53 113.55 118.95 3kqz h SER 311 Ca 0.46 -0.49 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3kqz h SER 311 Cb 0.31 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.14 3kqz h SER 311 CO -0.21 1.26 0.31 0.78 -0.87 0.00 0.00 176.83 178.11 3kqz h ASN 312 N 0.48 0.74 0.11 4.97 2.35 -0.14 -2.19 115.58 121.90 3kqz h ASN 312 Ca -0.03 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3kqz h ASN 312 Cb 1.31 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.49 3kqz h ASN 312 CO 0.14 0.64 -0.05 0.00 -1.65 0.00 0.00 177.43 176.50 3kqz h ALA 313 N 1.14 -0.14 -0.94 -0.83 0.00 -0.92 0.62 119.26 118.19 3kqz h ALA 313 Ca 0.20 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3kqz h ALA 313 Cb 0.07 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3kqz h ALA 313 CO -0.03 -0.54 0.62 0.00 0.00 0.00 0.00 179.25 179.30 3kqz h ALA 314 N 0.68 1.35 -0.87 0.00 0.00 -1.21 0.35 119.26 119.56 3kqz h ALA 314 Ca -0.01 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3kqz h ALA 314 Cb 0.17 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3kqz h ALA 314 CO 0.02 0.58 0.50 0.28 0.00 0.00 0.00 179.25 180.63 3kqz h VAL 315 N 1.24 1.25 -0.26 0.00 2.07 -1.09 0.31 116.25 119.77 3kqz h VAL 315 Ca 0.36 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 3kqz h VAL 315 Cb -0.09 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 3kqz h VAL 315 CO -0.09 0.27 -0.12 -0.08 0.02 0.00 0.00 177.57 177.58 3kqz h GLU 316 N 1.21 0.54 0.06 1.57 4.81 0.18 -0.38 114.58 122.58 3kqz h GLU 316 Ca 0.31 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3kqz h GLU 316 Cb -0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3kqz h GLU 316 CO -0.05 0.79 -0.13 1.25 -0.73 0.00 0.00 179.01 180.13 3kqz h LEU 317 N 0.27 -0.37 -0.67 1.64 5.85 0.22 -1.05 115.31 121.19 3kqz h LEU 317 Ca 0.06 0.05 0.13 0.00 0.84 0.00 0.00 57.88 58.96 3kqz h LEU 317 Cb 0.62 0.15 -0.13 0.00 0.37 0.00 0.00 40.66 41.67 3kqz h LEU 317 CO 0.04 -0.20 -0.16 0.00 -0.34 0.00 0.00 178.44 177.78 3kqz h ALA 318 N 0.64 0.45 -0.33 1.25 0.00 -0.39 -1.39 119.26 119.49 3kqz h ALA 318 Ca 0.03 0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kqz h ALA 318 Cb 0.28 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3kqz h ALA 318 CO -0.09 -0.42 0.14 1.96 0.00 0.00 0.00 179.25 180.85 3kqz h GLN 319 N 0.00 0.30 -0.44 0.00 4.20 -0.46 0.17 115.11 118.88 3kqz h GLN 319 Ca 0.32 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.99 3kqz h GLN 319 Cb 0.49 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 3kqz h GLN 319 CO -0.68 0.20 0.17 0.87 -0.67 0.00 0.00 178.83 178.71 3kqz h LYS 320 N 0.31 0.62 -0.01 1.46 1.57 -0.20 -2.56 116.57 117.77 3kqz h LYS 320 Ca 0.14 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kqz h LYS 320 Cb 0.08 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3kqz h LYS 320 CO -0.12 0.52 -0.39 1.28 -0.57 0.00 0.00 179.45 180.17 3kqz n LEU 321 N -4.36 0.93 -2.52 2.94 4.77 -0.63 -4.96 117.00 113.16 3kqz n LEU 321 Ca 0.03 -0.23 -0.20 0.00 -0.03 0.00 0.00 56.01 55.59 3kqz n LEU 321 Cb 0.15 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3kqz n LEU 321 CO 0.37 0.19 -0.11 0.59 -1.33 0.00 0.00 177.39 177.10 3kqz n ASN 322 N -0.92 -5.69 -4.78 -1.43 5.03 0.47 -4.98 115.26 102.96 3kqz n ASN 322 Ca 0.09 -0.15 -0.35 0.00 0.87 0.00 0.00 54.58 55.05 3kqz n ASN 322 Cb 0.35 -4.61 -0.02 0.00 -1.02 0.00 0.00 39.78 34.49 3kqz n ASN 322 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3kqz s LEU 323 N -5.90 3.80 0.38 3.41 1.43 -0.41 -5.00 118.68 116.40 3kqz s LEU 323 Ca 0.15 2.07 -0.25 0.00 -1.03 0.00 0.00 54.13 55.06 3kqz s LEU 323 Cb -0.07 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.50 3kqz s LEU 323 CO 0.19 -1.01 1.12 -1.83 0.23 0.00 0.00 176.35 175.05 3kqz s GLU 324 N -3.24 4.16 0.06 1.70 4.04 -0.36 -4.63 118.70 120.42 3kqz s GLU 324 Ca 0.70 1.73 0.04 0.00 0.04 0.00 0.00 54.97 57.47 3kqz s GLU 324 Cb -0.21 -2.70 -0.03 0.00 0.02 0.00 0.00 34.13 31.22 3kqz s GLU 324 CO 0.24 -0.19 -0.11 1.52 -1.84 0.00 0.00 175.26 174.88 3kqz s TYR 325 N -1.46 0.93 -0.16 4.83 -0.85 -1.26 -0.95 117.35 118.42 3kqz s TYR 325 Ca 0.56 -0.50 -0.10 0.00 -0.52 0.00 0.00 57.07 56.51 3kqz s TYR 325 Cb -0.28 -0.53 0.06 0.00 0.38 0.00 0.00 41.96 41.58 3kqz s TYR 325 CO 0.35 -0.02 0.40 0.21 -1.52 0.00 0.00 175.55 174.97 3kqz s LYS 326 N -1.76 0.39 -0.34 -3.49 2.20 0.20 -5.00 119.74 111.94 3kqz s LYS 326 Ca -0.05 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 3kqz s LYS 326 Cb -0.09 0.00 0.08 0.00 -1.51 0.00 0.00 37.83 36.31 3kqz s LYS 326 CO 0.01 -0.14 0.06 0.42 -0.36 0.00 0.00 175.35 175.33 3kqz s ILE 327 N 1.23 2.74 -0.09 5.43 -1.09 -1.26 -1.18 121.20 126.98 3kqz s ILE 327 Ca -0.08 -1.91 -0.30 0.00 -2.23 0.00 0.00 60.65 56.13 3kqz s ILE 327 Cb -0.08 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.97 3kqz s ILE 327 CO -0.11 -0.41 1.30 -0.76 -1.23 0.00 0.00 174.94 173.73 3kqz s LEU 328 N 1.09 4.25 0.00 2.97 1.02 -0.72 -4.88 118.68 122.42 3kqz s LEU 328 Ca 0.03 1.86 0.01 0.00 0.02 0.00 0.00 54.13 56.05 3kqz s LEU 328 Cb -0.20 -3.55 0.06 0.00 0.02 0.00 0.00 46.19 42.52 3kqz s LEU 328 CO -0.05 -0.71 0.45 0.61 0.02 0.00 0.00 176.35 176.67 3kqz n GLY 329 N 3.58 1.00 0.18 -3.19 0.00 -1.26 -1.58 105.19 103.93 3kqz n GLY 329 Ca 0.13 -2.03 -0.04 0.00 0.00 0.00 0.00 46.02 44.08 3kqz n GLY 329 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 330 N -0.36 0.67 -0.93 1.61 2.07 -1.95 -0.38 116.25 116.97 3kqz h VAL 330 Ca -0.15 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3kqz h VAL 330 Cb 0.58 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3kqz h VAL 330 CO 0.17 0.02 0.61 0.11 0.02 0.00 0.00 177.57 178.50 3kqz h LYS 331 N 0.10 1.19 0.00 1.57 6.56 -1.96 0.23 116.57 124.27 3kqz h LYS 331 Ca 0.21 -0.07 -0.22 0.00 -1.06 0.00 0.00 60.65 59.51 3kqz h LYS 331 Cb 0.31 -0.27 -0.03 0.00 -0.57 0.00 0.00 32.23 31.67 3kqz h LYS 331 CO -0.36 0.79 -1.06 0.93 -2.06 0.00 0.00 179.45 177.69 3kqz h GLU 332 N 1.23 0.00 -0.22 3.15 5.08 -1.70 -1.49 114.58 120.63 3kqz h GLU 332 Ca 0.35 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3kqz h GLU 332 Cb -0.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3kqz h GLU 332 CO -0.09 0.96 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.76 3kqz h LEU 333 N 0.00 0.32 0.35 1.33 3.38 -0.23 -0.86 115.31 119.60 3kqz h LEU 333 Ca -0.03 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3kqz h LEU 333 Cb 1.79 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.46 3kqz h LEU 333 CO 0.13 0.43 -0.17 -0.33 0.09 0.00 0.00 178.44 178.59 3kqz h GLU 334 N 0.33 -0.45 -0.87 1.13 5.08 -0.35 -0.31 114.58 119.14 3kqz h GLU 334 Ca 0.07 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.69 3kqz h GLU 334 Cb 0.32 0.10 -0.14 0.00 0.50 0.00 0.00 28.75 29.54 3kqz h GLU 334 CO 0.01 -0.13 0.25 0.93 -1.00 0.00 0.00 179.01 179.07 3kqz h GLU 335 N -0.93 0.23 0.00 2.33 5.08 -1.25 0.49 114.58 120.53 3kqz h GLU 335 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kqz h GLU 335 Cb 0.53 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3kqz h GLU 335 CO 0.08 0.15 0.00 1.28 -1.00 0.00 0.00 179.01 179.52 3kqz n LEU 336 N -5.20 0.00 -3.17 1.33 4.77 -0.33 -4.90 117.00 109.49 3kqz n LEU 336 Ca 0.21 0.28 -0.22 0.00 -0.03 0.00 0.00 56.01 56.24 3kqz n LEU 336 Cb 0.66 -0.28 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 3kqz n LEU 336 CO 0.08 -0.05 0.12 0.29 -1.33 0.00 0.00 177.39 176.50 3kqz n LYS 337 N -1.28 -6.22 -1.52 3.23 5.02 0.17 -4.70 118.16 112.87 3kqz n LYS 337 Ca 0.12 0.83 -0.41 0.00 -2.02 0.00 0.00 58.31 56.83 3kqz n LYS 337 Cb 0.19 -5.68 -0.02 0.00 -0.02 0.00 0.00 35.03 29.51 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -4.36 2.68 0.10 1.97 2.81 -0.19 -2.21 117.12 117.92 3kqz n MET 338 Ca -0.05 -2.36 -0.04 0.00 -1.81 0.00 0.00 57.70 53.44 3kqz n MET 338 Cb 0.59 -3.12 0.13 0.00 -0.71 0.00 0.00 33.22 30.10 3kqz n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kqz h GLY 339 N 10.24 0.20 0.80 3.03 0.00 -1.78 0.86 103.07 116.42 3kqz h GLY 339 Ca 0.58 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.61 3kqz h GLY 339 CO 1.87 0.22 -0.07 0.00 0.00 0.00 0.00 176.54 178.56 3kqz h ALA 340 N 1.23 0.28 0.13 3.60 0.00 -1.85 -1.28 119.26 121.38 3kqz h ALA 340 Ca -0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 3kqz h ALA 340 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kqz h ALA 340 CO 0.09 0.08 -0.06 -0.92 0.00 0.00 0.00 179.25 178.44 3kqz h TYR 341 N 0.11 -0.17 -0.48 0.00 3.20 -1.68 -2.80 116.97 115.16 3kqz h TYR 341 Ca 0.05 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.93 3kqz h TYR 341 Cb 0.54 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 3kqz h TYR 341 CO 0.06 0.09 0.32 -0.07 -1.64 0.00 0.00 178.16 176.91 3kqz h LEU 342 N -0.41 0.51 -0.53 2.82 3.38 -0.84 -2.29 115.31 117.94 3kqz h LEU 342 Ca -0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3kqz h LEU 342 Cb 0.33 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3kqz h LEU 342 CO 0.03 0.36 0.30 0.28 0.09 0.00 0.00 178.44 179.50 3kqz h SER 343 N 0.60 0.65 -0.63 -0.43 0.02 -0.99 -2.22 113.55 110.54 3kqz h SER 343 Ca 0.18 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3kqz h SER 343 Cb 0.00 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3kqz h SER 343 CO -0.04 0.55 0.41 0.58 -1.14 0.00 0.00 176.83 177.18 3kqz h VAL 344 N 0.71 1.17 -0.02 2.27 2.07 -1.16 -2.44 116.25 118.85 3kqz h VAL 344 Ca 0.19 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3kqz h VAL 344 Cb 0.03 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3kqz h VAL 344 CO -0.03 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.34 3kqz n GLY 345 N -1.23 -0.63 0.36 2.17 0.00 -1.07 -4.08 105.19 100.71 3kqz n GLY 345 Ca 0.05 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.87 3kqz n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqz h LYS 346 N 0.78 0.80 0.00 1.61 1.57 -0.89 -1.76 116.57 118.68 3kqz h LYS 346 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kqz h LYS 346 Cb 0.17 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3kqz h LYS 346 CO 0.00 0.53 0.00 0.41 -0.57 0.00 0.00 179.45 179.82 3kqz n GLY 347 N -1.43 -1.35 3.86 3.86 0.00 -1.24 -4.52 105.19 104.37 3kqz n GLY 347 Ca 0.12 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3kqz n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqz s SER 348 N -2.92 6.66 0.00 1.61 0.15 -0.67 -4.66 113.70 113.88 3kqz s SER 348 Ca 0.15 1.13 0.15 0.00 0.70 0.00 0.00 55.95 58.08 3kqz s SER 348 Cb 0.17 -2.31 0.75 0.00 -1.71 0.00 0.00 66.02 62.91 3kqz s SER 348 CO 0.46 -0.22 1.46 1.15 1.20 0.00 0.00 173.24 177.29 3kqz n MET 349 N -0.56 0.15 -4.11 5.44 0.00 -1.26 -4.72 117.12 112.07 3kqz n MET 349 Ca 0.02 0.17 -0.35 0.00 0.00 0.00 0.00 57.70 57.54 3kqz n MET 349 Cb 0.53 -1.50 -0.13 0.00 0.00 0.00 0.00 33.22 32.13 3kqz n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kqz s TYR 350 N -2.70 3.03 0.18 3.17 1.51 -1.26 -4.88 117.35 116.40 3kqz s TYR 350 Ca 0.13 -0.46 -0.33 0.00 -1.01 0.00 0.00 57.07 55.40 3kqz s TYR 350 Cb 0.10 -2.07 -0.15 0.00 -0.11 0.00 0.00 41.96 39.73 3kqz s TYR 350 CO 0.25 -0.23 1.21 -2.30 -1.11 0.00 0.00 175.55 173.37 3kqz n PRO 351 N 4.18 1.29 -1.65 -1.71 -0.02 -1.26 -4.75 135.00 131.08 3kqz n PRO 351 Ca -0.17 0.46 -0.45 0.00 -2.02 0.00 0.00 63.50 61.32 3kqz n PRO 351 Cb 0.52 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 31.98 3kqz n PRO 351 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kqz n ASN 352 N 2.06 2.40 -3.92 2.55 4.13 -1.26 -4.55 115.26 116.66 3kqz n ASN 352 Ca 0.15 1.15 -0.27 0.00 1.68 0.00 0.00 54.58 57.29 3kqz n ASN 352 Cb 0.25 -1.38 -0.17 0.00 -1.54 0.00 0.00 39.78 36.94 3kqz n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kqz s LYS 353 N -0.60 1.58 -0.31 3.52 -0.14 -0.21 -4.12 119.74 119.46 3kqz s LYS 353 Ca 0.67 -0.29 -0.11 0.00 -1.36 0.00 0.00 55.97 54.89 3kqz s LYS 353 Cb -0.68 -1.58 -0.02 0.00 -1.68 0.00 0.00 37.83 33.87 3kqz s LYS 353 CO 0.52 -0.23 0.18 0.12 -0.76 0.00 0.00 175.35 175.18 3kqz s PHE 354 N 1.56 3.19 -0.13 3.18 2.19 -0.61 -0.24 117.98 127.12 3kqz s PHE 354 Ca 0.02 -0.39 -0.22 0.00 0.33 0.00 0.00 56.93 56.68 3kqz s PHE 354 Cb -0.13 -2.39 -0.03 0.00 -1.31 0.00 0.00 43.02 39.16 3kqz s PHE 354 CO -0.07 -0.39 0.66 0.42 1.83 0.00 0.00 175.22 177.67 3kqz s ILE 355 N 1.66 5.04 -0.24 3.12 1.01 0.40 -1.75 121.20 130.43 3kqz s ILE 355 Ca 0.05 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.01 3kqz s ILE 355 Cb -0.17 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.38 3kqz s ILE 355 CO 0.08 0.18 0.02 -2.28 0.00 0.00 0.00 174.94 172.95 3kqz s HIS 356 N 1.33 1.69 -0.06 3.97 2.46 -0.33 -0.62 115.29 123.72 3kqz s HIS 356 Ca 0.33 -1.41 0.02 0.00 0.47 0.00 0.00 55.06 54.47 3kqz s HIS 356 Cb -0.17 -1.42 -0.03 0.00 -0.13 0.00 0.00 32.58 30.84 3kqz s HIS 356 CO 0.14 -0.74 -0.09 -0.51 -2.47 0.00 0.00 174.74 171.07 3kqz s LEU 357 N 1.63 3.03 -0.06 8.88 1.02 0.12 -0.63 118.68 132.68 3kqz s LEU 357 Ca 0.00 -0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.09 3kqz s LEU 357 Cb -0.18 -1.65 0.02 0.00 0.02 0.00 0.00 46.19 44.40 3kqz s LEU 357 CO -0.12 0.35 -0.07 0.28 0.02 0.00 0.00 176.35 176.81 3kqz s THR 358 N -0.76 0.79 -0.50 5.49 -1.32 -0.13 0.93 115.64 120.13 3kqz s THR 358 Ca 0.12 -0.26 -0.15 0.00 -1.21 0.00 0.00 61.69 60.19 3kqz s THR 358 Cb -0.11 -0.77 0.10 0.00 -1.51 0.00 0.00 72.50 70.21 3kqz s THR 358 CO 0.01 0.29 0.44 -0.47 -2.21 0.00 0.00 174.62 172.67 3kqz s TYR 359 N 0.93 3.26 0.38 9.09 5.04 0.20 -1.23 117.35 135.03 3kqz s TYR 359 Ca -0.10 -1.18 -0.25 0.00 -2.44 0.00 0.00 57.07 53.10 3kqz s TYR 359 Cb -0.15 -3.48 -0.09 0.00 0.35 0.00 0.00 41.96 38.59 3kqz s TYR 359 CO 0.01 -0.92 1.06 0.15 -1.34 0.00 0.00 175.55 174.51 3kqz s LYS 360 N 1.60 4.23 0.08 4.97 1.02 -1.26 0.09 119.74 130.47 3kqz s LYS 360 Ca 0.04 1.56 -0.04 0.00 0.02 0.00 0.00 55.97 57.54 3kqz s LYS 360 Cb -0.27 -2.64 -0.05 0.00 -0.52 0.00 0.00 37.83 34.35 3kqz s LYS 360 CO 0.04 -0.09 0.30 0.45 -0.92 0.00 0.00 175.35 175.13 3kqz s SER 361 N -1.46 6.46 0.40 2.83 0.15 -1.14 -4.92 113.70 116.02 3kqz s SER 361 Ca 0.56 0.49 0.08 0.00 0.70 0.00 0.00 55.95 57.79 3kqz s SER 361 Cb -0.24 -2.05 0.83 0.00 -1.71 0.00 0.00 66.02 62.85 3kqz s SER 361 CO 0.30 0.14 1.98 0.07 1.20 0.00 0.00 173.24 176.93 3kqz h LYS 362 N 3.21 0.37 0.00 5.44 -0.00 -1.86 -3.46 116.57 120.26 3kqz h LYS 362 Ca -0.47 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.13 3kqz h LYS 362 Cb 1.17 -0.07 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 3kqz h LYS 362 CO 0.72 0.36 0.00 0.41 -0.00 0.00 0.00 179.45 180.94 3kqz n GLY 363 N -1.15 0.42 3.78 0.07 0.00 -1.26 -4.90 105.19 102.15 3kqz n GLY 363 Ca 0.01 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 3kqz n GLY 363 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kqz s ASP 364 N -1.12 6.87 -1.22 1.61 2.15 -1.26 -4.78 116.67 118.92 3kqz s ASP 364 Ca 0.00 1.04 -0.20 0.00 0.43 0.00 0.00 52.55 53.82 3kqz s ASP 364 Cb 0.00 -2.31 0.02 0.00 -0.30 0.00 0.00 42.92 40.32 3kqz s ASP 364 CO 0.00 0.16 1.78 0.54 -0.17 0.00 0.00 175.17 177.48 3kqz s VAL 365 N -0.37 3.90 -0.88 1.11 0.11 -1.26 -4.09 120.40 118.92 3kqz s VAL 365 Ca 0.27 -1.44 0.24 0.00 -2.93 0.00 0.00 61.98 58.12 3kqz s VAL 365 Cb -0.17 -4.95 -0.02 0.00 -1.53 0.00 0.00 36.38 29.70 3kqz s VAL 365 CO 0.15 -1.67 1.30 0.29 -3.33 0.00 0.00 175.10 171.84 3kqz n LYS 366 N 8.44 0.10 -3.50 1.54 4.76 -0.46 -4.83 118.16 124.20 3kqz n LYS 366 Ca 0.46 0.01 -0.04 0.00 -2.87 0.00 0.00 58.31 55.87 3kqz n LYS 366 Cb 0.47 -1.55 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 3kqz n LYS 366 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3kqz s LYS 367 N -3.06 0.44 -0.15 1.97 -0.14 -1.13 -5.04 119.74 112.63 3kqz s LYS 367 Ca 0.09 1.05 -0.21 0.00 -1.36 0.00 0.00 55.97 55.54 3kqz s LYS 367 Cb 0.16 0.37 -0.03 0.00 -1.68 0.00 0.00 37.83 36.65 3kqz s LYS 367 CO 0.73 -0.38 0.61 0.15 -0.76 0.00 0.00 175.35 175.70 3kqz s LYS 368 N 2.73 4.29 -0.02 1.68 1.02 -1.26 -1.90 119.74 126.27 3kqz s LYS 368 Ca 0.04 0.63 0.03 0.00 0.02 0.00 0.00 55.97 56.69 3kqz s LYS 368 Cb -0.13 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 3kqz s LYS 368 CO -0.17 -0.08 -0.09 0.42 -0.92 0.00 0.00 175.35 174.51 3kqz s ILE 369 N 1.37 0.76 -0.11 2.17 1.01 -0.35 0.12 121.20 126.16 3kqz s ILE 369 Ca 0.30 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3kqz s ILE 369 Cb -0.16 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.66 3kqz s ILE 369 CO 0.12 0.23 -0.17 0.00 0.00 0.00 0.00 174.94 175.13 3kqz s ALA 370 N 0.09 1.79 -0.24 9.38 0.00 0.94 -0.87 121.76 132.84 3kqz s ALA 370 Ca -0.01 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 3kqz s ALA 370 Cb -0.07 -0.85 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 3kqz s ALA 370 CO 0.00 -0.05 0.08 -0.51 0.00 0.00 0.00 175.76 175.28 3kqz s LEU 371 N 0.93 3.54 -0.20 0.00 1.43 0.82 0.00 118.68 125.19 3kqz s LEU 371 Ca -0.07 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3kqz s LEU 371 Cb -0.15 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3kqz s LEU 371 CO -0.01 -0.01 -0.17 -0.69 0.23 0.00 0.00 176.35 175.70 3kqz s VAL 372 N 1.45 2.08 -0.01 -1.59 1.01 -0.02 -0.18 120.40 123.14 3kqz s VAL 372 Ca 0.06 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.88 3kqz s VAL 372 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3kqz s VAL 372 CO 0.04 0.35 0.04 -0.83 0.00 0.00 0.00 175.10 174.71 3kqz s GLY 373 N 1.24 1.94 -0.28 4.51 0.00 -0.32 -0.84 107.32 113.58 3kqz s GLY 373 Ca 0.01 -0.89 -0.29 0.00 0.00 0.00 0.00 44.72 43.54 3kqz s GLY 373 CO -0.10 -0.75 1.31 1.25 0.00 0.00 0.00 173.10 174.80 3kqz s LYS 374 N -1.56 3.96 -0.77 2.90 2.20 -0.76 -4.11 119.74 121.60 3kqz s LYS 374 Ca 0.20 1.33 0.03 0.00 -0.36 0.00 0.00 55.97 57.17 3kqz s LYS 374 Cb -0.12 -3.87 0.32 0.00 -1.51 0.00 0.00 37.83 32.65 3kqz s LYS 374 CO 0.11 -1.07 1.22 0.41 -0.36 0.00 0.00 175.35 175.66 3kqz n GLY 375 N 4.22 5.58 3.53 5.54 0.00 -1.25 -1.33 105.19 121.48 3kqz n GLY 375 Ca 0.15 -2.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.02 3kqz n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqz s ILE 376 N -3.91 4.44 -0.18 -0.61 -1.09 -1.09 -1.16 121.20 117.61 3kqz s ILE 376 Ca 0.43 0.35 0.29 0.00 -2.23 0.00 0.00 60.65 59.49 3kqz s ILE 376 Cb 0.21 -4.49 0.34 0.00 -1.58 0.00 0.00 42.46 36.93 3kqz s ILE 376 CO -0.09 -1.01 1.85 0.71 -1.23 0.00 0.00 174.94 175.17 3kqz h THR 377 N 6.02 0.00 -2.06 2.92 1.35 -1.25 -2.42 112.91 117.48 3kqz h THR 377 Ca -0.26 -0.47 0.02 0.00 -0.55 0.00 0.00 66.41 65.16 3kqz h THR 377 Cb 1.08 1.38 -0.21 0.00 -1.73 0.00 0.00 68.15 68.66 3kqz h THR 377 CO 1.06 0.00 -0.04 0.12 -0.25 0.00 0.00 175.52 176.41 3kqz s PHE 378 N -3.48 -1.08 -0.48 4.73 5.36 -1.26 -4.38 117.98 117.40 3kqz s PHE 378 Ca 0.03 2.10 -0.03 0.00 -0.96 0.00 0.00 56.93 58.07 3kqz s PHE 378 Cb 0.09 0.64 0.13 0.00 -0.34 0.00 0.00 43.02 43.53 3kqz s PHE 378 CO 0.51 -0.54 0.28 0.34 -1.46 0.00 0.00 175.22 174.35 3kqz s ASP 379 N 1.87 5.28 0.54 6.13 2.15 -1.18 -1.55 116.67 129.90 3kqz s ASP 379 Ca -0.09 -2.27 0.35 0.00 0.43 0.00 0.00 52.55 50.97 3kqz s ASP 379 Cb -0.07 -1.85 1.65 0.00 -0.30 0.00 0.00 42.92 42.36 3kqz s ASP 379 CO -0.19 -0.50 2.06 0.77 -0.17 0.00 0.00 175.17 177.13 3kqz h SER 380 N 7.77 0.00 0.00 -0.34 4.64 -0.72 -3.46 113.55 121.44 3kqz h SER 380 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3kqz h SER 380 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3kqz h SER 380 CO 0.71 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 3kqz n GLY 381 N -0.41 1.98 7.00 -0.77 0.00 -1.25 -0.69 105.19 111.04 3kqz n GLY 381 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -2.00 1.34 0.28 -0.02 0.00 -1.25 -0.48 105.19 103.06 3kqz n GLY 382 Ca 0.00 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.46 3kqz n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqz h TYR 383 N 0.00 0.00 -1.17 1.61 0.05 -1.83 -1.65 116.97 113.98 3kqz h TYR 383 Ca 0.00 0.00 -0.75 0.00 0.05 0.00 0.00 58.73 58.03 3kqz h TYR 383 Cb 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.61 3kqz h TYR 383 CO 0.00 0.05 2.30 0.09 -1.05 0.00 0.00 178.16 179.55 3kqz n ASN 384 N -3.86 6.18 -4.74 3.88 4.13 -1.22 -5.01 115.26 114.62 3kqz n ASN 384 Ca -0.03 -3.08 -0.39 0.00 1.68 0.00 0.00 54.58 52.76 3kqz n ASN 384 Cb 0.14 -1.45 0.03 0.00 -1.54 0.00 0.00 39.78 36.95 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqz n LEU 385 N 3.25 5.06 -4.57 3.41 7.94 -0.62 -4.36 117.00 127.10 3kqz n LEU 385 Ca 0.50 1.05 -0.33 0.00 -1.11 0.00 0.00 56.01 56.12 3kqz n LEU 385 Cb 0.32 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.66 3kqz n LEU 385 CO 0.78 -0.48 1.47 -0.54 -1.11 0.00 0.00 177.39 177.52 3kqz s LYS 386 N -2.60 2.98 -0.01 1.96 1.02 0.13 -4.58 119.74 118.64 3kqz s LYS 386 Ca 0.66 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.83 3kqz s LYS 386 Cb -0.44 -5.23 -0.04 0.00 -0.52 0.00 0.00 37.83 31.60 3kqz s LYS 386 CO 0.54 -3.04 0.06 0.00 -0.92 0.00 0.00 175.35 171.98 3kqz n ALA 387 N 12.06 2.09 -2.09 5.17 0.00 -1.26 -4.59 120.51 131.89 3kqz n ALA 387 Ca 0.40 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.35 3kqz n ALA 387 Cb 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz s ALA 388 N -2.19 3.43 -0.27 0.00 0.00 -1.26 -4.94 121.76 116.52 3kqz s ALA 388 Ca -0.01 0.93 -0.42 0.00 0.00 0.00 0.00 51.96 52.47 3kqz s ALA 388 Cb 0.02 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.55 3kqz s ALA 388 CO 0.12 -0.36 1.61 -0.35 0.00 0.00 0.00 175.76 176.78 3kqz n PRO 389 N 2.63 0.78 0.00 0.00 -0.04 -1.26 -0.66 135.00 136.45 3kqz n PRO 389 Ca 0.05 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.79 3kqz n PRO 389 Cb 0.45 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3kqz n PRO 389 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kqz n GLY 390 N 3.76 1.83 0.16 0.55 0.00 -1.26 -4.98 105.19 105.25 3kqz n GLY 390 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.41 3kqz n GLY 390 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kqz h SER 391 N 0.00 0.00 -5.42 1.61 4.64 -1.25 -3.48 113.55 109.66 3kqz h SER 391 Ca 0.00 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3kqz h SER 391 Cb 0.00 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 62.23 3kqz h SER 391 CO 0.00 0.00 -0.66 0.23 -0.87 0.00 0.00 176.83 175.53 3kqz n MET 392 N -2.68 -6.88 -0.34 4.77 2.81 -1.26 -4.90 117.12 108.65 3kqz n MET 392 Ca 0.05 0.77 0.10 0.00 -1.81 0.00 0.00 57.70 56.81 3kqz n MET 392 Cb 0.48 -5.61 0.28 0.00 -0.71 0.00 0.00 33.22 27.66 3kqz n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kqz h ILE 393 N -2.21 0.75 0.00 2.02 2.10 -1.93 1.00 117.51 119.24 3kqz h ILE 393 Ca -0.53 -0.26 0.00 0.00 1.08 0.00 0.00 64.86 65.15 3kqz h ILE 393 Cb 1.33 -0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 3kqz h ILE 393 CO 0.49 0.14 0.27 -2.24 -1.08 0.00 0.00 178.15 175.73 3kqz h ASP 394 N 0.77 0.00 0.02 2.19 2.03 -1.95 -0.55 116.42 118.93 3kqz h ASP 394 Ca 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 3kqz h ASP 394 Cb 0.75 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.25 3kqz h ASP 394 CO -0.36 0.00 -0.81 -0.11 -1.03 0.00 0.00 179.24 176.93 3kqz n LEU 395 N -2.72 1.30 0.00 0.15 7.94 0.34 -4.65 117.00 119.36 3kqz n LEU 395 Ca -0.02 -0.56 0.06 0.00 -1.11 0.00 0.00 56.01 54.38 3kqz n LEU 395 Cb 0.31 -0.01 0.30 0.00 0.53 0.00 0.00 43.42 44.55 3kqz n LEU 395 CO 0.12 0.28 0.60 0.23 -1.11 0.00 0.00 177.39 177.52 3kqz n MET 396 N -1.04 0.24 0.32 1.96 2.81 -0.21 -0.31 117.12 120.89 3kqz n MET 396 Ca 0.06 0.11 0.19 0.00 -1.81 0.00 0.00 57.70 56.25 3kqz n MET 396 Cb 0.37 -1.50 0.99 0.00 -0.71 0.00 0.00 33.22 32.37 3kqz n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqz h LYS 397 N 0.00 0.00 -0.00 0.03 2.10 -1.81 -2.75 116.57 114.14 3kqz h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kqz h LYS 397 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 3kqz h LYS 397 CO 0.00 0.00 -0.02 1.97 -2.00 0.00 0.00 179.45 179.40 3kqz n PHE 398 N -3.10 0.00 1.74 0.07 -0.00 0.58 -4.01 117.46 112.74 3kqz n PHE 398 Ca -0.02 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.54 3kqz n PHE 398 Cb 0.25 -0.13 0.64 0.00 -0.00 0.00 0.00 39.48 40.24 3kqz n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kqz n ASP 399 N -1.02 0.00 -0.86 5.98 2.03 -1.04 0.93 116.55 122.56 3kqz n ASP 399 Ca 0.19 -1.07 0.08 0.00 0.52 0.00 0.00 54.79 54.51 3kqz n ASP 399 Cb 0.20 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.79 3kqz n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kqz n MET 400 N -0.89 2.48 -0.30 -0.67 0.00 -0.91 -2.65 117.12 114.17 3kqz n MET 400 Ca 0.16 -2.11 0.35 0.00 0.00 0.00 0.00 57.70 56.09 3kqz n MET 400 Cb 0.07 -1.37 0.75 0.00 0.00 0.00 0.00 33.22 32.67 3kqz n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqz h SER 401 N 2.96 0.00 -0.00 3.17 0.02 0.40 0.76 113.55 120.86 3kqz h SER 401 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3kqz h SER 401 Cb 0.80 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 3kqz h SER 401 CO 0.00 0.00 -0.00 1.23 -1.14 0.00 0.00 176.83 176.92 3kqz h GLY 402 N 0.00 0.01 0.44 -3.77 0.00 -1.73 -1.68 103.07 96.34 3kqz h GLY 402 Ca 0.55 -0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.93 3kqz h GLY 402 CO -0.01 0.01 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 3kqz h ALA 404 N 1.28 1.50 -0.43 0.00 0.00 -0.90 -0.69 119.26 120.03 3kqz h ALA 404 Ca 0.13 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 404 Cb 0.20 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kqz h ALA 404 CO -0.29 0.36 -0.07 0.00 0.00 0.00 0.00 179.25 179.26 3kqz h ALA 405 N 1.50 1.08 0.18 0.00 0.00 -0.62 0.38 119.26 121.78 3kqz h ALA 405 Ca 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3kqz h ALA 405 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3kqz h ALA 405 CO -0.15 0.57 -0.08 0.28 0.00 0.00 0.00 179.25 179.87 3kqz h VAL 406 N 0.68 0.90 -0.64 0.00 2.07 -0.09 -1.17 116.25 118.00 3kqz h VAL 406 Ca 0.12 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3kqz h VAL 406 Cb 0.52 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 3kqz h VAL 406 CO 0.03 0.09 0.36 -0.07 0.02 0.00 0.00 177.57 178.00 3kqz h LEU 407 N -0.42 0.56 -1.08 2.57 4.07 -0.76 0.47 115.31 120.71 3kqz h LEU 407 Ca -0.02 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 3kqz h LEU 407 Cb 0.32 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 3kqz h LEU 407 CO 0.04 0.37 -0.12 1.23 -1.08 0.00 0.00 178.44 178.88 3kqz h GLY 408 N 0.69 0.54 1.23 0.83 0.00 -0.24 -0.72 103.07 105.40 3kqz h GLY 408 Ca 0.28 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3kqz h GLY 408 CO -0.15 0.35 0.28 0.00 0.00 0.00 0.00 176.54 177.01 3kqz h ALA 410 N 1.33 0.95 -0.28 0.00 0.00 0.48 0.23 119.26 121.97 3kqz h ALA 410 Ca 0.23 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.04 3kqz h ALA 410 Cb 0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3kqz h ALA 410 CO -0.02 0.52 -0.07 -0.92 0.00 0.00 0.00 179.25 178.76 3kqz h TYR 411 N 1.04 -0.15 -0.49 0.00 3.20 -0.98 0.10 116.97 119.70 3kqz h TYR 411 Ca 0.25 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.06 3kqz h TYR 411 Cb 0.12 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 3kqz h TYR 411 CO 0.01 -0.12 -0.04 0.00 -1.64 0.00 0.00 178.16 176.37 3kqz h VAL 413 N 0.75 1.26 0.00 0.00 2.07 -0.69 -0.47 116.25 119.17 3kqz h VAL 413 Ca 0.13 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 3kqz h VAL 413 Cb 0.57 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3kqz h VAL 413 CO 0.03 0.24 -0.03 1.23 0.02 0.00 0.00 177.57 179.06 3kqz h GLY 414 N -0.06 0.00 0.00 2.17 0.00 -0.74 0.57 103.07 105.01 3kqz h GLY 414 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 3kqz h GLY 414 CO 0.01 0.00 -1.17 2.41 0.00 0.00 0.00 176.54 177.79 3kqz n THR 415 N -3.68 1.50 0.48 4.70 -1.04 -0.92 -4.25 114.28 111.07 3kqz n THR 415 Ca -0.03 0.02 0.13 0.00 -2.04 0.00 0.00 64.05 62.13 3kqz n THR 415 Cb 0.13 -2.15 0.41 0.00 -1.82 0.00 0.00 70.33 66.90 3kqz n THR 415 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kqz h LEU 416 N -1.00 0.00 -1.95 -4.42 3.38 -1.00 -3.48 115.31 106.84 3kqz h LEU 416 Ca -0.27 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.33 3kqz h LEU 416 Cb 1.09 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.95 3kqz h LEU 416 CO -0.16 0.00 -0.83 0.29 0.09 0.00 0.00 178.44 177.83 3kqz n LYS 417 N -2.46 -4.76 -1.68 1.13 5.02 0.18 -4.94 118.16 110.66 3kqz n LYS 417 Ca 0.04 0.71 -0.37 0.00 -2.02 0.00 0.00 58.31 56.67 3kqz n LYS 417 Cb 0.39 -5.40 0.06 0.00 -0.02 0.00 0.00 35.03 30.07 3kqz n LYS 417 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kqz n PRO 418 N -4.07 1.05 -3.77 1.97 -0.04 -1.26 -4.91 135.00 123.97 3kqz n PRO 418 Ca -0.25 0.41 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 3kqz n PRO 418 Cb 0.66 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.68 3kqz n PRO 418 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3kqz s GLU 419 N -3.11 3.56 0.00 0.54 2.02 -1.26 -4.54 118.70 115.92 3kqz s GLU 419 Ca 0.80 -0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.64 3kqz s GLU 419 Cb -0.40 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 30.82 3kqz s GLU 419 CO 0.43 0.60 0.00 0.09 0.02 0.00 0.00 175.26 176.40 3kqz n ASN 420 N 0.72 -0.60 -4.38 -0.19 3.02 -1.26 -4.87 115.26 107.71 3kqz n ASN 420 Ca -0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.14 3kqz n ASN 420 Cb 0.52 -0.20 -0.14 0.00 -0.61 0.00 0.00 39.78 39.35 3kqz n ASN 420 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3kqz s VAL 421 N -3.51 3.00 -0.12 2.41 0.11 -1.26 -1.35 120.40 119.66 3kqz s VAL 421 Ca 0.00 -0.69 -0.18 0.00 -2.93 0.00 0.00 61.98 58.18 3kqz s VAL 421 Cb 0.00 -2.24 -0.04 0.00 -1.53 0.00 0.00 36.38 32.57 3kqz s VAL 421 CO 0.00 0.54 0.47 -0.70 -3.33 0.00 0.00 175.10 172.07 3kqz s GLU 422 N 0.19 4.33 -0.05 1.54 2.12 -0.80 -2.88 118.70 123.15 3kqz s GLU 422 Ca -0.08 0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.71 3kqz s GLU 422 Cb -0.15 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.80 3kqz s GLU 422 CO 0.05 0.15 -0.16 0.42 -0.54 0.00 0.00 175.26 175.18 3kqz s ILE 423 N 0.66 1.37 -0.19 -3.70 1.01 0.11 -1.22 121.20 119.23 3kqz s ILE 423 Ca 0.25 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 3kqz s ILE 423 Cb -0.15 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3kqz s ILE 423 CO 0.10 0.40 -0.07 -1.00 0.00 0.00 0.00 174.94 174.36 3kqz s HIS 424 N 0.12 2.92 -0.35 3.97 3.76 -0.05 0.61 115.29 126.28 3kqz s HIS 424 Ca -0.05 -0.87 -0.11 0.00 -0.15 0.00 0.00 55.06 53.88 3kqz s HIS 424 Cb -0.12 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.55 3kqz s HIS 424 CO 0.02 -0.46 0.19 -0.06 -0.85 0.00 0.00 174.74 173.59 3kqz s PHE 425 N 1.15 3.21 -0.02 1.40 0.08 0.26 -0.13 117.98 123.94 3kqz s PHE 425 Ca 0.02 -0.71 0.06 0.00 0.12 0.00 0.00 56.93 56.41 3kqz s PHE 425 Cb -0.14 -2.41 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 3kqz s PHE 425 CO -0.02 -0.54 -0.18 -0.51 -0.10 0.00 0.00 175.22 173.87 3kqz s LEU 426 N 1.60 2.02 -0.20 -0.37 1.43 0.75 0.15 118.68 124.05 3kqz s LEU 426 Ca 0.04 -0.34 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 3kqz s LEU 426 Cb -0.18 -0.96 0.07 0.00 0.03 0.00 0.00 46.19 45.15 3kqz s LEU 426 CO 0.07 0.22 0.48 -0.55 0.23 0.00 0.00 176.35 176.80 3kqz s SER 427 N -0.38 -0.59 -1.00 2.29 0.15 0.21 -1.17 113.70 113.20 3kqz s SER 427 Ca 0.06 1.07 -0.23 0.00 0.70 0.00 0.00 55.95 57.54 3kqz s SER 427 Cb -0.08 1.06 0.05 0.00 -1.71 0.00 0.00 66.02 65.34 3kqz s SER 427 CO -0.00 -0.21 1.45 0.00 1.20 0.00 0.00 173.24 175.67 3kqz s ALA 428 N 1.71 2.70 0.00 5.45 0.00 -1.26 -0.45 121.76 129.91 3kqz s ALA 428 Ca -0.08 -2.21 -0.26 0.00 0.00 0.00 0.00 51.96 49.41 3kqz s ALA 428 Cb -0.08 -4.52 -0.04 0.00 0.00 0.00 0.00 23.12 18.48 3kqz s ALA 428 CO -0.15 -3.61 0.80 0.08 0.00 0.00 0.00 175.76 172.88 3kqz s VAL 429 N 5.06 4.86 0.11 0.00 1.01 0.67 -3.96 120.40 128.14 3kqz s VAL 429 Ca 0.46 1.69 -0.12 0.00 0.00 0.00 0.00 61.98 64.01 3kqz s VAL 429 Cb -0.00 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 32.27 3kqz s VAL 429 CO -0.09 0.28 0.56 0.00 0.00 0.00 0.00 175.10 175.85 3kqz s GLU 431 N -2.03 1.01 -0.43 0.00 2.12 -1.26 -0.77 118.70 117.33 3kqz s GLU 431 Ca 0.12 -0.61 -0.06 0.00 0.36 0.00 0.00 54.97 54.78 3kqz s GLU 431 Cb -0.02 -1.00 0.11 0.00 0.26 0.00 0.00 34.13 33.48 3kqz s GLU 431 CO 0.03 0.26 0.27 1.21 -0.54 0.00 0.00 175.26 176.49 3kqz s ASN 432 N -0.71 5.49 0.14 -1.70 2.47 -0.60 -4.11 114.94 115.92 3kqz s ASN 432 Ca 0.03 -1.89 0.04 0.00 0.42 0.00 0.00 52.86 51.47 3kqz s ASN 432 Cb -0.06 -1.92 -0.04 0.00 -1.45 0.00 0.00 41.25 37.77 3kqz s ASN 432 CO 0.00 -0.60 -0.10 -0.04 -3.72 0.00 0.00 177.10 172.64 3kqz s MET 433 N 1.28 1.02 -0.16 0.43 -1.94 -1.26 0.09 119.30 118.76 3kqz s MET 433 Ca 0.06 -1.40 -0.06 0.00 -1.71 0.00 0.00 55.69 52.58 3kqz s MET 433 Cb -0.24 -0.62 -0.04 0.00 2.01 0.00 0.00 34.83 35.94 3kqz s MET 433 CO -0.02 0.08 0.05 0.08 -0.01 0.00 0.00 175.02 175.20 3kqz s VAL 434 N -3.15 4.68 -0.02 -6.03 1.01 -1.26 -4.59 120.40 111.03 3kqz s VAL 434 Ca 0.15 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3kqz s VAL 434 Cb 0.01 -3.07 0.11 0.00 0.00 0.00 0.00 36.38 33.43 3kqz s VAL 434 CO 0.00 0.50 1.10 -0.55 0.00 0.00 0.00 175.10 176.15 3kqz s SER 435 N 0.02 -0.18 0.60 3.32 0.15 -1.26 -4.97 113.70 111.38 3kqz s SER 435 Ca 0.05 -0.12 0.30 0.00 0.70 0.00 0.00 55.95 56.88 3kqz s SER 435 Cb -0.12 0.28 1.84 0.00 -1.71 0.00 0.00 66.02 66.31 3kqz s SER 435 CO 0.01 -0.49 2.24 0.07 1.20 0.00 0.00 173.24 176.27 3kqz h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.96 -2.98 116.57 121.16 3kqz h LYS 436 Ca -0.21 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.44 3kqz h LYS 436 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3kqz h LYS 436 CO 0.27 0.00 -0.42 0.09 -2.00 0.00 0.00 179.45 177.39 3kqz n ASN 437 N -3.79 1.18 -4.76 7.07 5.03 -1.26 -4.98 115.26 113.75 3kqz n ASN 437 Ca -0.02 -0.95 -0.36 0.00 0.87 0.00 0.00 54.58 54.12 3kqz n ASN 437 Cb 0.11 0.31 0.03 0.00 -1.02 0.00 0.00 39.78 39.21 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqz s SER 438 N -2.62 5.33 0.75 6.41 0.01 -1.13 -3.67 113.70 118.77 3kqz s SER 438 Ca 0.19 2.35 -0.13 0.00 1.31 0.00 0.00 55.95 59.68 3kqz s SER 438 Cb 0.18 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.87 3kqz s SER 438 CO 0.59 -1.50 1.14 -0.72 0.41 0.00 0.00 173.24 173.16 3kqz s TYR 439 N -1.62 2.30 0.25 2.43 1.13 -1.25 -4.86 117.35 115.73 3kqz s TYR 439 Ca 0.76 1.61 0.10 0.00 -1.41 0.00 0.00 57.07 58.13 3kqz s TYR 439 Cb -0.29 -3.24 -0.05 0.00 -1.10 0.00 0.00 41.96 37.28 3kqz s TYR 439 CO 0.32 -2.13 -0.10 1.03 -2.51 0.00 0.00 175.55 172.16 3kqz s ARG 440 N -4.34 1.99 0.25 -3.49 0.52 -1.26 -4.67 118.95 107.95 3kqz s ARG 440 Ca 0.67 -1.51 -0.31 0.00 -0.52 0.00 0.00 55.73 54.06 3kqz s ARG 440 Cb -0.22 -2.01 -0.13 0.00 0.52 0.00 0.00 34.95 33.11 3kqz s ARG 440 CO 0.49 0.37 1.37 -2.30 0.02 0.00 0.00 175.30 175.25 3kqz n PRO 441 N -0.54 1.98 0.00 3.54 -0.02 -1.26 -1.89 135.00 136.80 3kqz n PRO 441 Ca -0.07 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3kqz n PRO 441 Cb 0.58 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3kqz n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 442 N 1.96 3.29 3.73 -1.23 0.00 0.45 -5.01 105.19 108.38 3kqz n GLY 442 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3kqz n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kqz n ASP 443 N 0.04 3.17 -4.38 1.61 9.92 -0.79 -4.51 116.55 121.60 3kqz n ASP 443 Ca 0.00 1.21 -0.38 0.00 -0.53 0.00 0.00 54.79 55.09 3kqz n ASP 443 Cb 0.00 -1.54 -0.12 0.00 -0.64 0.00 0.00 41.12 38.83 3kqz n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kqz s ILE 444 N -1.04 4.31 0.30 0.53 1.01 -1.26 0.20 121.20 125.26 3kqz s ILE 444 Ca 0.55 -0.65 0.09 0.00 0.00 0.00 0.00 60.65 60.64 3kqz s ILE 444 Cb -0.54 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3kqz s ILE 444 CO 0.62 -0.00 0.06 0.27 0.00 0.00 0.00 174.94 175.89 3kqz s ILE 445 N 1.55 3.25 -0.25 2.92 -4.36 0.11 -4.88 121.20 119.54 3kqz s ILE 445 Ca 0.03 -1.83 0.02 0.00 -0.26 0.00 0.00 60.65 58.62 3kqz s ILE 445 Cb -0.18 -2.91 0.06 0.00 1.25 0.00 0.00 42.46 40.68 3kqz s ILE 445 CO 0.05 -0.29 -0.10 -0.89 0.24 0.00 0.00 174.94 173.95 3kqz s THR 446 N -2.37 1.98 0.94 8.37 2.01 -1.26 0.85 115.64 126.15 3kqz s THR 446 Ca 0.34 -1.46 -0.11 0.00 0.31 0.00 0.00 61.69 60.77 3kqz s THR 446 Cb -0.04 -2.11 0.16 0.00 0.01 0.00 0.00 72.50 70.52 3kqz s THR 446 CO 0.21 -0.00 1.12 0.00 -0.69 0.00 0.00 174.62 175.26 3kqz s ALA 447 N 1.20 1.23 0.41 7.40 0.00 -0.71 -2.60 121.76 128.68 3kqz s ALA 447 Ca -0.07 0.44 0.39 0.00 0.00 0.00 0.00 51.96 52.72 3kqz s ALA 447 Cb -0.19 -3.40 2.05 0.00 0.00 0.00 0.00 23.12 21.58 3kqz s ALA 447 CO -0.06 -2.85 2.18 0.66 0.00 0.00 0.00 175.76 175.69 3kqz h SER 448 N -1.93 0.00 -0.02 0.00 4.64 -1.72 -0.52 113.55 114.00 3kqz h SER 448 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3kqz h SER 448 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kqz h SER 448 CO 0.44 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 175.94 3kqz n ASN 449 N -2.89 0.63 0.00 4.97 0.23 -1.26 -4.92 115.26 112.02 3kqz n ASN 449 Ca -0.02 -1.29 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 3kqz n ASN 449 Cb 0.09 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3kqz n GLY 450 N 1.04 0.72 3.63 4.83 0.00 -0.20 -5.04 105.19 110.15 3kqz n GLY 450 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3kqz n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s LYS 451 N -0.57 3.79 0.19 1.61 1.02 -1.26 -4.82 119.74 119.70 3kqz s LYS 451 Ca 0.00 1.47 -0.30 0.00 0.02 0.00 0.00 55.97 57.16 3kqz s LYS 451 Cb 0.00 -3.99 -0.08 0.00 -0.52 0.00 0.00 37.83 33.23 3kqz s LYS 451 CO 0.00 -1.29 1.21 0.95 -0.92 0.00 0.00 175.35 175.30 3kqz s THR 452 N 5.05 3.51 -0.12 2.17 -4.23 -1.26 -1.74 115.64 119.02 3kqz s THR 452 Ca 0.66 1.28 0.02 0.00 -1.18 0.00 0.00 61.69 62.47 3kqz s THR 452 Cb -0.21 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 69.83 3kqz s THR 452 CO 0.28 0.21 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.78 3kqz s ILE 453 N -0.08 1.57 -0.39 2.99 1.01 0.25 -1.54 121.20 125.01 3kqz s ILE 453 Ca 0.53 -0.68 -0.23 0.00 0.00 0.00 0.00 60.65 60.27 3kqz s ILE 453 Cb -0.33 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.71 3kqz s ILE 453 CO 0.37 0.46 0.77 -0.70 0.00 0.00 0.00 174.94 175.84 3kqz s GLU 454 N 1.05 3.65 -0.27 2.79 2.12 -0.35 0.10 118.70 127.79 3kqz s GLU 454 Ca -0.05 0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.16 3kqz s GLU 454 Cb -0.15 -3.85 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 3kqz s GLU 454 CO -0.03 -0.92 1.38 0.08 -0.54 0.00 0.00 175.26 175.23 3kqz s VAL 455 N 3.13 4.04 -1.91 3.70 1.01 0.13 -1.58 120.40 128.92 3kqz s VAL 455 Ca 0.30 1.18 0.22 0.00 0.00 0.00 0.00 61.98 63.68 3kqz s VAL 455 Cb -0.13 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3kqz s VAL 455 CO 0.18 -0.40 1.05 0.61 0.00 0.00 0.00 175.10 176.54 3kqz n GLY 456 N 4.35 -0.04 3.25 4.51 0.00 -1.26 0.17 105.19 116.17 3kqz n GLY 456 Ca 0.16 -0.63 0.03 0.00 0.00 0.00 0.00 46.02 45.58 3kqz n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqz s ASN 457 N -2.46 -0.27 0.36 1.61 3.84 -1.26 -4.79 114.94 111.98 3kqz s ASN 457 Ca 0.17 0.34 0.24 0.00 0.21 0.00 0.00 52.86 53.82 3kqz s ASN 457 Cb 0.17 1.29 0.54 0.00 -0.55 0.00 0.00 41.25 42.70 3kqz s ASN 457 CO 0.58 -0.05 1.68 0.71 -2.79 0.00 0.00 177.10 177.23 3kqz h THR 458 N 5.23 0.00 0.00 -5.21 1.35 -1.89 -1.59 112.91 110.80 3kqz h THR 458 Ca -0.14 -0.80 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3kqz h THR 458 Cb 1.13 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 69.34 3kqz h THR 458 CO 0.04 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.64 3kqz n ASP 459 N -2.80 0.00 -1.85 5.36 2.03 0.37 -3.13 116.55 116.53 3kqz n ASP 459 Ca 0.04 0.50 -0.16 0.00 0.52 0.00 0.00 54.79 55.69 3kqz n ASP 459 Cb 0.49 -0.50 0.05 0.00 -0.72 0.00 0.00 41.12 40.43 3kqz n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqz n ALA 460 N -1.50 4.94 0.25 -1.67 0.00 -0.60 -4.60 120.51 117.32 3kqz n ALA 460 Ca 0.04 -1.63 0.14 0.00 0.00 0.00 0.00 53.44 51.99 3kqz n ALA 460 Cb 0.18 -1.35 0.47 0.00 0.00 0.00 0.00 19.45 18.76 3kqz n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kqz h GLU 461 N 1.31 0.00 -0.38 0.00 9.09 -1.77 -3.30 114.58 119.54 3kqz h GLU 461 Ca 0.30 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.62 3kqz h GLU 461 Cb 1.08 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 3kqz h GLU 461 CO 0.73 0.07 -0.12 0.78 0.05 0.00 0.00 179.01 180.52 3kqz h GLY 462 N 2.64 0.81 2.00 1.06 0.00 -1.90 -1.81 103.07 105.87 3kqz h GLY 462 Ca -0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.57 3kqz h GLY 462 CO 0.01 0.63 -0.36 0.07 0.00 0.00 0.00 176.54 176.89 3kqz h ARG 463 N 0.55 0.00 -0.07 4.80 0.11 -1.94 -1.28 114.38 116.55 3kqz h ARG 463 Ca 0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.15 3kqz h ARG 463 Cb 0.64 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.72 3kqz h ARG 463 CO 0.04 0.36 -0.04 -0.07 0.10 0.00 0.00 179.97 180.36 3kqz h LEU 464 N 0.00 0.16 -1.18 0.08 3.38 -1.57 0.64 115.31 116.83 3kqz h LEU 464 Ca -0.00 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.45 3kqz h LEU 464 Cb 0.85 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3kqz h LEU 464 CO 0.05 0.56 -0.40 0.71 0.09 0.00 0.00 178.44 179.44 3kqz h THR 465 N -0.23 1.20 -0.15 0.22 1.35 -1.21 -3.09 112.91 111.00 3kqz h THR 465 Ca 0.02 -1.41 -0.22 0.00 -0.55 0.00 0.00 66.41 64.25 3kqz h THR 465 Cb 0.50 1.78 0.01 0.00 -1.73 0.00 0.00 68.15 68.70 3kqz h THR 465 CO 0.01 0.39 -0.76 -0.07 -0.25 0.00 0.00 175.52 174.85 3kqz h LEU 466 N 0.00 0.92 -0.69 3.87 3.38 -1.01 -2.74 115.31 119.03 3kqz h LEU 466 Ca -0.00 -0.63 0.09 0.00 0.09 0.00 0.00 57.88 57.42 3kqz h LEU 466 Cb 0.74 -0.27 -0.11 0.00 0.09 0.00 0.00 40.66 41.11 3kqz h LEU 466 CO 0.05 1.40 -0.49 0.00 0.09 0.00 0.00 178.44 179.50 3kqz h ALA 467 N 0.54 -0.41 -0.18 1.53 0.00 -0.80 0.37 119.26 120.31 3kqz h ALA 467 Ca -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3kqz h ALA 467 Cb 1.39 1.10 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 3kqz h ALA 467 CO 0.16 -0.88 0.04 -0.44 0.00 0.00 0.00 179.25 178.13 3kqz h ASP 468 N -0.18 0.23 0.04 0.00 3.32 -1.46 -1.30 116.42 117.06 3kqz h ASP 468 Ca 0.18 -0.02 -0.28 0.00 0.02 0.00 0.00 57.03 56.93 3kqz h ASP 468 Cb 0.54 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.06 3kqz h ASP 468 CO -0.77 0.24 -1.11 0.00 -1.72 0.00 0.00 179.24 175.88 3kqz h ALA 469 N 1.80 0.08 -0.70 3.45 0.00 -0.96 -2.02 119.26 120.91 3kqz h ALA 469 Ca 0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3kqz h ALA 469 Cb 0.10 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3kqz h ALA 469 CO -0.00 0.68 0.39 -0.07 0.00 0.00 0.00 179.25 180.25 3kqz h LEU 470 N 0.36 0.86 -0.80 0.00 3.38 -0.14 0.86 115.31 119.81 3kqz h LEU 470 Ca -0.15 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3kqz h LEU 470 Cb 1.77 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.28 3kqz h LEU 470 CO 0.22 0.70 0.02 -0.37 0.09 0.00 0.00 178.44 179.10 3kqz h VAL 471 N 0.95 1.25 -0.47 1.22 -1.51 -1.13 0.71 116.25 117.28 3kqz h VAL 471 Ca 0.25 -1.05 -0.02 0.00 -1.23 0.00 0.00 66.70 64.65 3kqz h VAL 471 Cb 0.02 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 3kqz h VAL 471 CO -0.04 0.38 0.20 0.22 -1.23 0.00 0.00 177.57 177.10 3kqz h TYR 472 N 0.86 0.71 0.36 5.19 3.20 -0.84 -0.77 116.97 125.68 3kqz h TYR 472 Ca 0.16 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.97 3kqz h TYR 472 Cb 0.47 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3kqz h TYR 472 CO 0.03 0.58 -0.18 0.00 -1.64 0.00 0.00 178.16 176.95 3kqz h ALA 473 N 1.05 -0.49 -0.94 1.82 0.00 0.97 -2.66 119.26 119.01 3kqz h ALA 473 Ca 0.16 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.06 3kqz h ALA 473 Cb 0.16 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3kqz h ALA 473 CO -0.02 -0.78 0.58 1.49 0.00 0.00 0.00 179.25 180.52 3kqz h GLU 474 N -0.50 0.94 -0.38 0.00 4.81 -0.65 -1.56 114.58 117.25 3kqz h GLU 474 Ca -0.05 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3kqz h GLU 474 Cb 0.39 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3kqz h GLU 474 CO 0.07 0.62 0.25 0.87 -0.73 0.00 0.00 179.01 180.10 3kqz h LYS 475 N 0.97 0.31 0.00 1.92 1.57 -0.81 -1.03 116.57 119.50 3kqz h LYS 475 Ca 0.45 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 3kqz h LYS 475 Cb 0.37 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3kqz h LYS 475 CO -0.24 0.21 0.23 1.28 -0.57 0.00 0.00 179.45 180.37 3kqz n LEU 476 N -4.48 0.37 -2.85 2.94 4.32 -0.59 -4.90 117.00 111.81 3kqz n LEU 476 Ca 0.04 0.58 -0.16 0.00 -0.02 0.00 0.00 56.01 56.46 3kqz n LEU 476 Cb 0.21 -0.56 0.06 0.00 -1.62 0.00 0.00 43.42 41.52 3kqz n LEU 476 CO 0.35 -0.71 0.14 0.61 -1.22 0.00 0.00 177.39 176.56 3kqz n GLY 477 N -1.28 -0.18 3.94 -0.72 0.00 -0.39 -5.03 105.19 101.53 3kqz n GLY 477 Ca -0.01 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3kqz n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqz s VAL 478 N -3.26 2.29 -0.11 1.61 -7.23 -1.26 -4.91 120.40 107.53 3kqz s VAL 478 Ca 0.24 -0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 59.97 3kqz s VAL 478 Cb -0.11 -2.96 -0.26 0.00 0.56 0.00 0.00 36.38 33.61 3kqz s VAL 478 CO 0.55 0.00 0.46 0.44 -0.31 0.00 0.00 175.10 176.24 3kqz h ASP 479 N -0.58 0.39 -3.56 4.85 3.32 0.56 -3.47 116.42 117.93 3kqz h ASP 479 Ca -0.43 -0.87 -0.56 0.00 0.02 0.00 0.00 57.03 55.19 3kqz h ASP 479 Cb 1.30 -0.13 -0.33 0.00 0.22 0.00 0.00 39.33 40.40 3kqz h ASP 479 CO 0.56 1.73 -0.83 -0.31 -1.72 0.00 0.00 179.24 178.67 3kqz s TYR 480 N -2.51 1.73 -0.18 4.55 2.02 -0.93 -3.62 117.35 118.41 3kqz s TYR 480 Ca -0.21 -0.61 -0.06 0.00 -0.37 0.00 0.00 57.07 55.82 3kqz s TYR 480 Cb 0.06 -1.20 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 3kqz s TYR 480 CO 0.76 -0.26 0.02 0.42 -1.57 0.00 0.00 175.55 174.91 3kqz s ILE 481 N 0.40 4.33 -0.14 2.71 1.01 -0.17 -0.04 121.20 129.30 3kqz s ILE 481 Ca -0.12 -0.20 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 3kqz s ILE 481 Cb -0.15 -2.93 0.03 0.00 0.01 0.00 0.00 42.46 39.42 3kqz s ILE 481 CO 0.04 0.46 -0.09 -0.69 0.00 0.00 0.00 174.94 174.66 3kqz s VAL 482 N 0.48 1.26 0.19 2.92 1.01 0.10 -1.46 120.40 124.90 3kqz s VAL 482 Ca 0.00 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.53 3kqz s VAL 482 Cb -0.13 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3kqz s VAL 482 CO 0.02 0.33 0.04 1.51 0.00 0.00 0.00 175.10 177.00 3kqz s ASP 483 N 1.60 4.94 -0.09 3.32 1.47 0.20 -0.84 116.67 127.27 3kqz s ASP 483 Ca 0.04 -0.37 -0.04 0.00 1.18 0.00 0.00 52.55 53.36 3kqz s ASP 483 Cb -0.13 -1.10 0.05 0.00 -0.34 0.00 0.00 42.92 41.39 3kqz s ASP 483 CO -0.09 0.06 0.18 -0.51 0.68 0.00 0.00 175.17 175.49 3kqz s ILE 484 N -1.85 -0.17 -0.14 2.11 2.07 -0.02 -0.11 121.20 123.09 3kqz s ILE 484 Ca 0.29 0.25 -0.14 0.00 -1.41 0.00 0.00 60.65 59.65 3kqz s ILE 484 Cb -0.09 -0.30 0.04 0.00 0.13 0.00 0.00 42.46 42.23 3kqz s ILE 484 CO 0.20 0.10 0.39 0.00 -1.91 0.00 0.00 174.94 173.72 3kqz s ALA 485 N 1.74 -0.96 -1.26 1.50 0.00 -0.27 -1.83 121.76 120.68 3kqz s ALA 485 Ca -0.03 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.84 3kqz s ALA 485 Cb -0.12 -0.62 0.11 0.00 0.00 0.00 0.00 23.12 22.50 3kqz s ALA 485 CO -0.07 -0.19 1.61 0.95 0.00 0.00 0.00 175.76 178.06 3kqz s THR 486 N 0.16 4.51 -0.20 0.00 -4.23 -1.26 0.76 115.64 115.37 3kqz s THR 486 Ca -0.00 -2.22 -0.15 0.00 -1.18 0.00 0.00 61.69 58.14 3kqz s THR 486 Cb -0.03 -5.08 -0.20 0.00 1.34 0.00 0.00 72.50 68.54 3kqz s THR 486 CO 0.01 -1.85 0.13 -0.11 -0.54 0.00 0.00 174.62 172.25 3kqz n LEU 487 N 7.22 2.16 -3.89 4.79 7.94 -1.26 -4.77 117.00 129.19 3kqz n LEU 487 Ca 0.44 0.32 -0.22 0.00 -1.11 0.00 0.00 56.01 55.43 3kqz n LEU 487 Cb 0.45 -0.98 -0.17 0.00 0.53 0.00 0.00 43.42 43.25 3kqz n LEU 487 CO 0.71 0.52 -0.41 0.42 -1.11 0.00 0.00 177.39 177.51 3kqz s THR 488 N -2.45 0.63 0.44 1.96 -4.23 -1.26 -4.94 115.64 105.78 3kqz s THR 488 Ca -0.29 -0.13 0.23 0.00 -1.18 0.00 0.00 61.69 60.31 3kqz s THR 488 Cb 0.08 -0.66 0.43 0.00 1.34 0.00 0.00 72.50 73.68 3kqz s THR 488 CO 0.62 0.26 1.80 1.23 -0.54 0.00 0.00 174.62 177.99 3kqz h GLY 489 N 7.49 0.84 0.10 3.99 0.00 -1.94 -2.16 103.07 111.38 3kqz h GLY 489 Ca -0.33 -0.15 0.21 0.00 0.00 0.00 0.00 47.33 47.07 3kqz h GLY 489 CO 0.42 -0.08 0.62 0.00 0.00 0.00 0.00 176.54 177.50 3kqz h ALA 490 N 1.58 1.87 -0.98 3.60 0.00 -1.94 -1.40 119.26 121.98 3kqz h ALA 490 Ca 0.56 0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.87 3kqz h ALA 490 Cb 1.61 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 19.17 3kqz h ALA 490 CO -0.20 -0.24 0.24 -1.33 0.00 0.00 0.00 179.25 177.72 3kqz n MET 491 N -4.70 -0.07 0.25 0.00 2.81 -0.81 0.55 117.12 115.14 3kqz n MET 491 Ca 0.23 1.42 0.09 0.00 -1.81 0.00 0.00 57.70 57.63 3kqz n MET 491 Cb 0.66 -2.38 0.63 0.00 -0.71 0.00 0.00 33.22 31.41 3kqz n MET 491 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3kqz h LEU 492 N 0.00 0.00 0.00 4.03 3.38 -1.47 -0.24 115.31 121.02 3kqz h LEU 492 Ca 0.70 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.67 3kqz h LEU 492 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 3kqz h LEU 492 CO -0.85 0.14 -0.66 -1.22 0.09 0.00 0.00 178.44 175.94 3kqz n TYR 493 N -4.01 0.13 -0.08 1.13 4.02 0.19 -3.48 117.16 115.06 3kqz n TYR 493 Ca -0.02 0.04 -0.08 0.00 -0.01 0.00 0.00 57.90 57.82 3kqz n TYR 493 Cb 0.23 -0.32 -0.03 0.00 -0.02 0.00 0.00 39.34 39.20 3kqz n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kqz n SER 494 N -1.67 1.88 -0.03 7.72 3.41 -0.32 -4.82 113.62 119.79 3kqz n SER 494 Ca 0.04 0.32 0.02 0.00 -0.26 0.00 0.00 58.87 58.99 3kqz n SER 494 Cb 0.37 -0.71 -0.10 0.00 -0.26 0.00 0.00 64.21 63.50 3kqz n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 495 N -4.39 0.00 0.00 1.04 4.77 -0.25 -5.10 117.00 113.07 3kqz n LEU 495 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3kqz n LEU 495 Cb 0.48 0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 3kqz n LEU 495 CO 0.20 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3kqz n GLY 496 N 1.92 0.02 0.41 -0.72 0.00 -0.37 -4.28 105.19 102.17 3kqz n GLY 496 Ca -0.10 -1.44 0.14 0.00 0.00 0.00 0.00 46.02 44.62 3kqz n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqz n THR 497 N 0.00 0.00 -0.10 2.61 -2.24 -1.26 -4.16 114.28 109.13 3kqz n THR 497 Ca 0.00 -0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.37 3kqz n THR 497 Cb 0.00 0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.59 3kqz n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqz n SER 498 N -0.07 1.66 -4.64 3.42 7.64 -1.26 -4.27 113.62 116.09 3kqz n SER 498 Ca 0.17 0.18 -0.32 0.00 1.01 0.00 0.00 58.87 59.91 3kqz n SER 498 Cb 0.35 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqz s TYR 499 N -2.38 2.98 0.26 1.43 4.12 -1.26 -4.60 117.35 117.90 3kqz s TYR 499 Ca -0.28 0.01 0.03 0.00 0.02 0.00 0.00 57.07 56.84 3kqz s TYR 499 Cb 0.10 -1.62 -0.03 0.00 -1.52 0.00 0.00 41.96 38.89 3kqz s TYR 499 CO 0.38 0.43 0.42 0.00 0.02 0.00 0.00 175.55 176.79 3kqz s ALA 500 N -1.08 3.84 -0.05 3.71 0.00 -0.79 -4.53 121.76 122.86 3kqz s ALA 500 Ca 0.19 -1.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 3kqz s ALA 500 Cb -0.11 -1.90 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3kqz s ALA 500 CO 0.10 0.21 0.08 0.20 0.00 0.00 0.00 175.76 176.35 3kqz s GLY 501 N -3.82 2.01 -0.12 0.00 0.00 -1.16 -0.29 107.32 103.94 3kqz s GLY 501 Ca 0.37 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 44.30 3kqz s GLY 501 CO 0.31 -0.62 -0.18 0.54 0.00 0.00 0.00 173.10 173.15 3kqz s VAL 502 N -1.09 2.55 0.26 1.40 0.11 0.20 -0.06 120.40 123.78 3kqz s VAL 502 Ca 0.19 -0.84 0.11 0.00 -2.93 0.00 0.00 61.98 58.51 3kqz s VAL 502 Cb -0.12 -2.03 -0.05 0.00 -1.53 0.00 0.00 36.38 32.65 3kqz s VAL 502 CO 0.09 0.54 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.95 3kqz s PHE 503 N 0.41 2.52 0.14 1.54 0.08 0.99 -0.49 117.98 123.18 3kqz s PHE 503 Ca -0.14 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.41 3kqz s PHE 503 Cb -0.17 -1.12 0.08 0.00 -0.57 0.00 0.00 43.02 41.24 3kqz s PHE 503 CO 0.06 0.65 1.08 0.20 -0.10 0.00 0.00 175.22 177.11 3kqz s GLY 504 N -3.52 -0.02 0.00 4.36 0.00 -1.26 0.13 107.32 107.00 3kqz s GLY 504 Ca 0.30 -0.13 0.11 0.00 0.00 0.00 0.00 44.72 45.00 3kqz s GLY 504 CO 0.17 2.21 0.75 1.16 0.00 0.00 0.00 173.10 177.39 3kqz n ASN 505 N -1.02 1.57 -3.73 1.64 0.23 -0.64 -4.70 115.26 108.60 3kqz n ASN 505 Ca -0.03 -1.28 -0.26 0.00 -0.53 0.00 0.00 54.58 52.47 3kqz n ASN 505 Cb 0.60 0.28 -0.17 0.00 -2.08 0.00 0.00 39.78 38.41 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 506 N -1.26 2.46 0.25 0.53 3.84 -1.26 -4.92 114.94 114.58 3kqz s ASN 506 Ca 0.11 -0.59 -0.03 0.00 0.21 0.00 0.00 52.86 52.56 3kqz s ASN 506 Cb 0.09 -0.50 0.51 0.00 -0.55 0.00 0.00 41.25 40.80 3kqz s ASN 506 CO 0.23 -0.28 1.69 -0.08 -2.79 0.00 0.00 177.10 175.86 3kqz h GLU 507 N 8.29 0.29 0.00 0.43 4.81 -1.96 -1.86 114.58 124.59 3kqz h GLU 507 Ca -0.17 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 3kqz h GLU 507 Cb 1.13 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3kqz h GLU 507 CO 0.31 0.19 -0.53 1.49 -0.73 0.00 0.00 179.01 179.74 3kqz h GLU 508 N 0.30 0.00 -0.25 1.92 4.22 -1.98 -0.67 114.58 118.11 3kqz h GLU 508 Ca 0.44 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.76 3kqz h GLU 508 Cb 0.77 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3kqz h GLU 508 CO -0.51 0.53 -0.32 1.25 -2.18 0.00 0.00 179.01 177.78 3kqz h LEU 509 N 0.00 0.72 -0.18 1.64 5.85 -1.92 -1.87 115.31 119.55 3kqz h LEU 509 Ca -0.01 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.25 3kqz h LEU 509 Cb 1.23 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3kqz h LEU 509 CO 0.07 1.07 -0.04 0.40 -0.34 0.00 0.00 178.44 179.60 3kqz h ILE 510 N 0.38 0.82 -0.78 4.05 1.08 -0.83 -0.70 117.51 121.54 3kqz h ILE 510 Ca 0.03 -0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.64 3kqz h ILE 510 Cb 0.90 0.82 -0.05 0.00 -3.07 0.00 0.00 36.82 35.41 3kqz h ILE 510 CO 0.08 0.00 0.51 0.78 -0.69 0.00 0.00 178.15 178.83 3kqz h ASN 511 N 0.00 0.49 0.38 1.72 2.35 -1.12 0.37 115.58 119.77 3kqz h ASN 511 Ca 0.09 0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.72 3kqz h ASN 511 Cb 0.13 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3kqz h ASN 511 CO -0.18 0.26 -0.61 0.11 -1.65 0.00 0.00 177.43 175.36 3kqz h LYS 512 N 0.52 0.22 0.03 0.81 1.57 -0.29 -1.83 116.57 117.60 3kqz h LYS 512 Ca 0.38 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kqz h LYS 512 Cb 0.74 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3kqz h LYS 512 CO -0.14 0.76 -0.01 0.82 -0.57 0.00 0.00 179.45 180.30 3kqz h ILE 513 N 0.16 1.17 -0.92 1.86 1.08 -0.35 -1.27 117.51 119.25 3kqz h ILE 513 Ca -0.01 -0.63 0.09 0.00 -0.39 0.00 0.00 64.86 63.92 3kqz h ILE 513 Cb 1.11 1.60 -0.07 0.00 -3.07 0.00 0.00 36.82 36.39 3kqz h ILE 513 CO 0.09 0.16 0.59 -0.07 -0.69 0.00 0.00 178.15 178.24 3kqz h LEU 514 N -0.31 0.87 -0.42 1.44 3.38 -0.91 0.21 115.31 119.57 3kqz h LEU 514 Ca -0.00 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.81 3kqz h LEU 514 Cb 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3kqz h LEU 514 CO 0.01 0.52 -0.69 -0.61 0.09 0.00 0.00 178.44 177.76 3kqz h GLN 515 N 0.97 0.45 -0.79 1.13 5.75 -1.26 -1.55 115.11 119.81 3kqz h GLN 515 Ca 0.42 -0.35 -0.03 0.00 -0.15 0.00 0.00 58.65 58.54 3kqz h GLN 515 Cb 0.34 0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.91 3kqz h GLN 515 CO -0.18 0.98 0.38 0.77 -2.65 0.00 0.00 178.83 178.13 3kqz h SER 516 N 0.32 1.03 -0.49 -0.69 0.02 -0.46 -1.27 113.55 112.00 3kqz h SER 516 Ca -0.02 -0.12 0.10 0.00 -0.84 0.00 0.00 61.79 60.91 3kqz h SER 516 Cb 1.26 -0.26 -0.09 0.00 0.14 0.00 0.00 62.40 63.44 3kqz h SER 516 CO 0.12 0.86 -0.12 -1.28 -1.14 0.00 0.00 176.83 175.28 3kqz h SER 517 N 1.13 -0.45 -0.21 3.07 0.87 -0.69 0.73 113.55 118.00 3kqz h SER 517 Ca 0.27 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 61.02 3kqz h SER 517 Cb 0.11 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 3kqz h SER 517 CO -0.04 -0.16 -0.06 0.11 -0.53 0.00 0.00 176.83 176.16 3kqz h LYS 518 N 0.00 -0.01 0.00 2.24 1.57 -0.23 -0.93 116.57 119.22 3kqz h LYS 518 Ca 0.24 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.88 3kqz h LYS 518 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3kqz h LYS 518 CO -0.50 -0.01 -1.33 1.79 -0.57 0.00 0.00 179.45 178.84 3kqz h THR 519 N -0.01 0.41 0.00 -0.16 1.35 -0.63 -2.79 112.91 111.08 3kqz h THR 519 Ca 0.10 -1.81 -0.00 0.00 -0.55 0.00 0.00 66.41 64.15 3kqz h THR 519 Cb 0.16 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 68.52 3kqz h THR 519 CO -0.22 0.23 -0.01 0.77 -0.25 0.00 0.00 175.52 176.04 3kqz h SER 520 N 0.00 0.00 -2.43 5.36 4.64 0.42 -3.47 113.55 118.08 3kqz h SER 520 Ca -0.13 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.79 3kqz h SER 520 Cb 1.48 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.50 3kqz h SER 520 CO 0.04 0.01 -0.46 0.59 -0.87 0.00 0.00 176.83 176.14 3kqz n ASN 521 N -3.10 -5.47 -4.36 4.97 3.02 -0.36 -4.82 115.26 105.14 3kqz n ASN 521 Ca 0.02 0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 3kqz n ASN 521 Cb 0.39 -4.66 -0.11 0.00 -0.61 0.00 0.00 39.78 34.80 3kqz n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kqz s GLU 522 N -4.57 2.79 -0.01 3.52 2.02 -1.19 -4.92 118.70 116.34 3kqz s GLU 522 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 3kqz s GLU 522 Cb 0.00 -3.77 -0.05 0.00 0.10 0.00 0.00 34.13 30.41 3kqz s GLU 522 CO 0.00 -0.76 1.42 -1.25 0.02 0.00 0.00 175.26 174.69 3kqz s PRO 523 N 1.54 4.27 0.01 0.39 0.05 -1.26 -4.47 135.00 135.53 3kqz s PRO 523 Ca 0.02 1.97 0.05 0.00 0.05 0.00 0.00 61.00 63.09 3kqz s PRO 523 Cb -0.20 -3.61 -0.01 0.00 0.05 0.00 0.00 34.50 30.73 3kqz s PRO 523 CO 0.06 -0.60 -0.15 0.08 0.05 0.00 0.00 177.00 176.44 3kqz s VAL 524 N 2.55 1.18 -0.04 -0.36 1.01 -1.26 -1.88 120.40 121.60 3kqz s VAL 524 Ca 0.64 -0.76 0.05 0.00 0.00 0.00 0.00 61.98 61.91 3kqz s VAL 524 Cb -0.31 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 3kqz s VAL 524 CO 0.26 0.24 -0.19 0.86 0.00 0.00 0.00 175.10 176.26 3kqz s TRP 525 N -0.50 1.87 0.11 5.22 -0.11 0.60 -4.92 118.94 121.21 3kqz s TRP 525 Ca 0.05 -0.51 -0.31 0.00 1.22 0.00 0.00 56.10 56.55 3kqz s TRP 525 Cb -0.06 -1.24 -0.09 0.00 -1.50 0.00 0.00 33.47 30.57 3kqz s TRP 525 CO 0.00 -0.15 1.65 -0.46 -4.62 0.00 0.00 176.95 173.37 3kqz s TRP 526 N -0.09 2.60 0.08 5.86 -0.00 -1.26 -0.62 118.94 125.50 3kqz s TRP 526 Ca -0.02 0.38 0.08 0.00 -0.00 0.00 0.00 56.10 56.54 3kqz s TRP 526 Cb -0.11 -3.98 -0.03 0.00 -0.00 0.00 0.00 33.47 29.34 3kqz s TRP 526 CO 0.02 -3.86 -0.21 -0.51 -0.00 0.00 0.00 176.95 172.39 3kqz s LEU 527 N 2.15 2.24 0.39 5.86 1.43 0.36 -4.87 118.68 126.24 3kqz s LEU 527 Ca 0.74 -0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 3kqz s LEU 527 Cb -0.42 -0.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.74 3kqz s LEU 527 CO 0.32 0.12 0.93 -2.16 0.23 0.00 0.00 176.35 175.79 3kqz s PRO 528 N -1.58 4.30 -0.55 1.29 0.04 -1.26 -4.32 135.00 132.93 3kqz s PRO 528 Ca 0.07 1.14 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 3kqz s PRO 528 Cb -0.09 -2.37 0.06 0.00 0.04 0.00 0.00 34.50 32.14 3kqz s PRO 528 CO 0.03 0.07 0.78 0.42 0.04 0.00 0.00 177.00 178.34 3kqz s ILE 529 N -2.01 4.63 -0.45 0.56 1.01 -1.26 -4.83 121.20 118.86 3kqz s ILE 529 Ca 0.58 -0.25 -0.21 0.00 0.00 0.00 0.00 60.65 60.77 3kqz s ILE 529 Cb -0.12 -4.45 0.03 0.00 0.01 0.00 0.00 42.46 37.93 3kqz s ILE 529 CO 0.16 -1.02 0.69 -0.63 0.00 0.00 0.00 174.94 174.14 3kqz s ILE 530 N 3.27 4.77 0.27 2.92 1.01 -1.26 -4.92 121.20 127.25 3kqz s ILE 530 Ca 0.21 0.17 0.26 0.00 0.00 0.00 0.00 60.65 61.30 3kqz s ILE 530 Cb -0.17 -4.25 0.27 0.00 0.01 0.00 0.00 42.46 38.32 3kqz s ILE 530 CO 0.14 -0.66 1.95 0.78 0.00 0.00 0.00 174.94 177.15 3kqz h ASN 531 N 8.93 0.00 -0.86 3.58 2.35 -1.99 -2.56 115.58 125.03 3kqz h ASN 531 Ca -0.25 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 55.75 3kqz h ASN 531 Cb 1.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.43 3kqz h ASN 531 CO 0.92 0.17 0.68 -0.08 -1.65 0.00 0.00 177.43 177.46 3kqz h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.05 0.09 114.58 118.24 3kqz h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqz h GLU 532 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3kqz h GLU 532 CO 0.02 0.00 -0.11 0.66 -0.73 0.00 0.00 179.01 178.85 3kqz n TYR 533 N -4.07 0.36 -0.19 0.92 0.53 -0.96 -4.14 117.16 109.61 3kqz n TYR 533 Ca 0.18 0.10 -0.01 0.00 -1.02 0.00 0.00 57.90 57.15 3kqz n TYR 533 Cb 0.98 -0.63 0.09 0.00 -1.03 0.00 0.00 39.34 38.75 3kqz n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqz h ARG 534 N 0.00 0.37 -1.05 -0.72 9.65 -1.14 -0.30 114.38 121.20 3kqz h ARG 534 Ca 0.00 -0.02 0.41 0.00 -1.10 0.00 0.00 59.98 59.27 3kqz h ARG 534 Cb 0.60 -0.08 -0.17 0.00 -1.39 0.00 0.00 29.97 28.93 3kqz h ARG 534 CO 0.00 0.25 0.59 0.00 2.80 0.00 0.00 179.97 183.60 3kqz h ALA 535 N 1.39 2.22 0.00 2.80 0.00 -1.77 0.41 119.26 124.29 3kqz h ALA 535 Ca 0.28 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3kqz h ALA 535 Cb 0.33 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kqz h ALA 535 CO -0.29 -0.96 0.00 0.25 0.00 0.00 0.00 179.25 178.25 3kqz n THR 536 N -5.16 1.30 1.26 0.00 -2.24 -0.12 -0.60 114.28 108.72 3kqz n THR 536 Ca 0.37 0.32 0.13 0.00 -2.27 0.00 0.00 64.05 62.60 3kqz n THR 536 Cb 1.27 -1.18 0.38 0.00 -2.10 0.00 0.00 70.33 68.70 3kqz n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqz n LEU 537 N -1.46 2.00 -4.55 3.22 4.77 0.13 -4.46 117.00 116.65 3kqz n LEU 537 Ca 0.02 -0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 54.92 3kqz n LEU 537 Cb 0.09 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3kqz n LEU 537 CO 0.08 0.36 1.62 0.20 -1.33 0.00 0.00 177.39 178.31 3kqz s ASN 538 N -1.89 5.16 0.77 -1.43 0.01 0.23 0.89 114.94 118.67 3kqz s ASN 538 Ca 0.35 0.32 -0.13 0.00 -0.71 0.00 0.00 52.86 52.68 3kqz s ASN 538 Cb 0.20 -2.53 0.06 0.00 0.41 0.00 0.00 41.25 39.39 3kqz s ASN 538 CO 0.31 -2.47 1.17 -0.55 -1.51 0.00 0.00 177.10 174.05 3kqz s SER 539 N 8.51 4.04 0.18 -1.22 0.15 -1.26 -4.81 113.70 119.29 3kqz s SER 539 Ca 0.70 2.23 0.15 0.00 0.70 0.00 0.00 55.95 59.73 3kqz s SER 539 Cb -0.12 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.56 3kqz s SER 539 CO 0.19 -2.36 1.19 0.50 1.20 0.00 0.00 173.24 173.96 3kqz h LYS 540 N -0.69 0.00 0.00 5.44 1.63 -1.97 -3.41 116.57 117.58 3kqz h LYS 540 Ca -0.46 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.28 3kqz h LYS 540 Cb 1.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.90 3kqz h LYS 540 CO 0.48 0.49 -1.21 0.66 -3.45 0.00 0.00 179.45 176.42 3kqz n TYR 541 N -3.12 0.00 -2.51 1.91 4.01 -1.26 -5.06 117.16 111.13 3kqz n TYR 541 Ca -0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.48 3kqz n TYR 541 Cb 0.80 -0.14 0.09 0.00 -0.31 0.00 0.00 39.34 39.78 3kqz n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ALA 542 N -2.07 3.60 0.21 -0.72 0.00 -1.26 -5.00 121.76 116.52 3kqz s ALA 542 Ca -0.05 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.45 3kqz s ALA 542 Cb 0.01 -2.15 0.19 0.00 0.00 0.00 0.00 23.12 21.16 3kqz s ALA 542 CO 0.08 -1.28 1.53 -0.44 0.00 0.00 0.00 175.76 175.65 3kqz h ASP 543 N -0.42 0.42 -4.05 0.00 3.32 -1.61 -3.37 116.42 110.71 3kqz h ASP 543 Ca -0.40 -0.24 -0.13 0.00 0.02 0.00 0.00 57.03 56.29 3kqz h ASP 543 Cb 1.28 -0.12 -0.24 0.00 0.22 0.00 0.00 39.33 40.47 3kqz h ASP 543 CO 0.47 0.92 -0.28 -0.51 -1.72 0.00 0.00 179.24 178.11 3kqz s ILE 544 N -3.85 0.01 0.41 0.35 2.07 -0.75 -4.51 121.20 114.92 3kqz s ILE 544 Ca -0.05 -0.07 -0.23 0.00 -1.41 0.00 0.00 60.65 58.88 3kqz s ILE 544 Cb 0.12 -0.53 -0.10 0.00 0.13 0.00 0.00 42.46 42.08 3kqz s ILE 544 CO 0.82 -0.04 1.00 0.20 -1.91 0.00 0.00 174.94 175.01 3kqz s ASN 545 N -0.05 6.84 0.11 4.50 0.01 0.26 -1.21 114.94 125.41 3kqz s ASN 545 Ca -0.02 1.89 -0.10 0.00 -0.71 0.00 0.00 52.86 53.92 3kqz s ASN 545 Cb -0.03 -2.57 -0.13 0.00 0.41 0.00 0.00 41.25 38.94 3kqz s ASN 545 CO 0.01 -0.43 1.30 -0.61 -1.51 0.00 0.00 177.10 175.87 3kqz h GLN 546 N 2.31 0.66 -4.96 -0.60 4.15 -1.61 -3.46 115.11 111.60 3kqz h GLN 546 Ca -0.48 -0.60 -0.30 0.00 0.77 0.00 0.00 58.65 58.04 3kqz h GLN 546 Cb 1.20 0.14 -0.15 0.00 0.21 0.00 0.00 27.48 28.89 3kqz h GLN 546 CO 0.62 1.21 -0.71 0.96 -1.93 0.00 0.00 178.83 178.97 3kqz s ILE 547 N -3.58 1.04 0.10 2.39 -4.36 -1.26 -4.88 121.20 110.66 3kqz s ILE 547 Ca -0.09 -2.02 -0.16 0.00 -0.26 0.00 0.00 60.65 58.12 3kqz s ILE 547 Cb 0.09 -1.79 -0.07 0.00 1.25 0.00 0.00 42.46 41.93 3kqz s ILE 547 CO 0.89 -0.77 0.54 -0.55 0.24 0.00 0.00 174.94 175.29 3kqz s SER 548 N -3.12 6.92 0.00 4.36 0.15 -1.26 -4.78 113.70 115.97 3kqz s SER 548 Ca 0.15 1.14 0.05 0.00 0.70 0.00 0.00 55.95 57.99 3kqz s SER 548 Cb 0.03 -2.31 -0.24 0.00 -1.71 0.00 0.00 66.02 61.78 3kqz s SER 548 CO -0.01 0.19 0.84 0.77 1.20 0.00 0.00 173.24 176.24 3kqz h SER 549 N 4.05 0.15 0.10 5.45 4.64 -2.01 -3.42 113.55 122.51 3kqz h SER 549 Ca -0.49 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 60.58 3kqz h SER 549 Cb 1.20 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kqz h SER 549 CO 0.64 1.20 -0.05 0.77 -0.87 0.00 0.00 176.83 178.53 3kqz h SER 550 N 0.03 -0.11 -2.89 4.97 4.64 -1.94 -3.47 113.55 114.77 3kqz h SER 550 Ca -0.22 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.54 3kqz h SER 550 Cb 1.96 0.03 0.08 0.00 -0.31 0.00 0.00 62.40 64.16 3kqz h SER 550 CO 0.12 0.20 0.70 0.52 -0.87 0.00 0.00 176.83 177.49 3kqz n VAL 551 N -3.90 1.01 0.70 0.95 0.31 -1.26 -4.92 118.33 111.21 3kqz n VAL 551 Ca -0.02 -0.25 0.10 0.00 -0.01 0.00 0.00 64.34 64.16 3kqz n VAL 551 Cb 0.05 -1.64 -0.13 0.00 -0.91 0.00 0.00 33.84 31.22 3kqz n VAL 551 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3kqz n LYS 552 N 2.02 0.44 -1.24 5.55 5.02 -1.26 -4.58 118.16 124.11 3kqz n LYS 552 Ca 0.10 -0.05 -0.38 0.00 -2.02 0.00 0.00 58.31 55.97 3kqz n LYS 552 Cb 0.33 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqz n ALA 553 N -1.67 4.90 -0.17 7.82 0.00 -1.26 -4.69 120.51 125.43 3kqz n ALA 553 Ca 0.02 -3.21 0.07 0.00 0.00 0.00 0.00 53.44 50.32 3kqz n ALA 553 Cb 0.37 -3.43 0.37 0.00 0.00 0.00 0.00 19.45 16.77 3kqz n ALA 553 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3kqz h SER 554 N 6.57 0.63 0.14 0.00 0.02 -1.98 -1.29 113.55 117.64 3kqz h SER 554 Ca 0.55 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 61.39 3kqz h SER 554 Cb 0.49 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3kqz h SER 554 CO 1.80 0.40 -0.42 0.28 -1.14 0.00 0.00 176.83 177.75 3kqz h SER 555 N 0.71 0.37 -0.02 3.07 0.02 -1.95 -1.57 113.55 114.18 3kqz h SER 555 Ca 0.31 -0.16 -0.23 0.00 -0.84 0.00 0.00 61.79 60.87 3kqz h SER 555 Cb 0.32 -0.10 0.02 0.00 0.14 0.00 0.00 62.40 62.77 3kqz h SER 555 CO -0.11 0.75 -0.88 0.40 -1.14 0.00 0.00 176.83 175.85 3kqz h ILE 556 N 0.29 1.32 -0.43 3.27 2.04 -1.59 -2.33 117.51 120.08 3kqz h ILE 556 Ca 0.02 -2.15 -0.10 0.00 1.00 0.00 0.00 64.86 63.64 3kqz h ILE 556 Cb 0.86 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.30 3kqz h ILE 556 CO 0.07 0.66 -0.13 0.58 0.00 0.00 0.00 178.15 179.33 3kqz h VAL 557 N 0.28 1.26 -0.35 1.67 2.07 -1.32 -1.31 116.25 118.55 3kqz h VAL 557 Ca -0.10 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 3kqz h VAL 557 Cb 1.55 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 3kqz h VAL 557 CO 0.18 0.41 0.07 0.00 0.02 0.00 0.00 177.57 178.24 3kqz h ALA 558 N 1.15 0.47 -0.73 1.67 0.00 -1.30 0.79 119.26 121.30 3kqz h ALA 558 Ca 0.12 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3kqz h ALA 558 Cb 0.61 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 3kqz h ALA 558 CO 0.04 0.16 0.46 0.77 0.00 0.00 0.00 179.25 180.68 3kqz h SER 559 N 0.42 0.75 0.09 0.00 0.02 -1.17 -0.65 113.55 113.01 3kqz h SER 559 Ca 0.11 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3kqz h SER 559 Cb 0.33 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3kqz h SER 559 CO 0.00 0.52 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.99 3kqz h LEU 560 N 0.89 0.15 -0.21 5.07 3.38 -0.95 0.24 115.31 123.88 3kqz h LEU 560 Ca 0.29 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.15 3kqz h LEU 560 Cb 0.02 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3kqz h LEU 560 CO -0.11 0.32 -0.22 0.15 0.09 0.00 0.00 178.44 178.67 3kqz h PHE 561 N 0.15 0.62 -0.62 1.13 3.04 0.21 -3.12 116.94 118.34 3kqz h PHE 561 Ca 0.03 -0.19 -0.09 0.00 3.98 0.00 0.00 57.97 61.70 3kqz h PHE 561 Cb 0.37 -0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 3kqz h PHE 561 CO 0.00 0.87 0.05 -0.07 -2.02 0.00 0.00 178.31 177.14 3kqz h LEU 562 N 0.19 1.04 -2.08 0.59 3.38 -0.47 -2.58 115.31 115.37 3kqz h LEU 562 Ca 0.03 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.77 3kqz h LEU 562 Cb 0.77 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3kqz h LEU 562 CO 0.05 1.06 0.16 0.50 0.09 0.00 0.00 178.44 180.31 3kqz h LYS 563 N 0.97 0.00 0.00 1.13 3.64 -0.55 0.64 116.57 122.40 3kqz h LYS 563 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3kqz h LYS 563 Cb 0.50 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3kqz h LYS 563 CO 0.02 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 3kqz n GLU 564 N -4.29 0.09 -0.20 1.90 -0.58 -0.97 -2.67 120.64 113.92 3kqz n GLU 564 Ca 0.02 0.24 0.06 0.00 -0.42 0.00 0.00 57.16 57.06 3kqz n GLU 564 Cb 0.30 -1.50 0.15 0.00 -0.57 0.00 0.00 31.44 29.82 3kqz n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kqz n PHE 565 N -1.35 0.45 -3.88 -0.32 3.01 0.22 -4.84 117.46 110.75 3kqz n PHE 565 Ca 0.04 -0.67 -0.28 0.00 1.01 0.00 0.00 57.45 57.55 3kqz n PHE 565 Cb 0.08 -0.13 -0.16 0.00 -0.01 0.00 0.00 39.48 39.26 3kqz n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqz s VAL 566 N -1.75 1.09 -0.17 -4.37 1.01 -1.09 -4.07 120.40 111.05 3kqz s VAL 566 Ca 0.25 -0.64 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 3kqz s VAL 566 Cb 0.18 -1.28 -0.23 0.00 0.00 0.00 0.00 36.38 35.05 3kqz s VAL 566 CO 0.09 0.11 0.52 1.56 0.00 0.00 0.00 175.10 177.38 3kqz h GLN 567 N 8.12 0.00 0.00 2.72 4.20 -1.88 -3.44 115.11 124.83 3kqz h GLN 567 Ca -0.24 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.47 3kqz h GLN 567 Cb 1.11 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 3kqz h GLN 567 CO 0.40 1.00 0.00 0.09 -0.67 0.00 0.00 178.83 179.65 3kqz n ASN 568 N -4.52 0.35 -4.30 1.46 3.02 -1.26 -5.05 115.26 104.96 3kqz n ASN 568 Ca -0.20 -1.12 -0.31 0.00 -0.03 0.00 0.00 54.58 52.91 3kqz n ASN 568 Cb 0.58 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.59 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kqz s THR 569 N -0.12 2.05 0.25 3.41 2.01 -1.26 -5.09 115.64 116.88 3kqz s THR 569 Ca 0.00 -1.10 -0.31 0.00 0.31 0.00 0.00 61.69 60.59 3kqz s THR 569 Cb 0.00 -1.71 -0.12 0.00 0.01 0.00 0.00 72.50 70.67 3kqz s THR 569 CO 0.00 0.58 1.57 0.00 -0.69 0.00 0.00 174.62 176.07 3kqz n ALA 570 N 2.57 2.06 -3.36 7.40 0.00 -1.24 -4.89 120.51 123.05 3kqz n ALA 570 Ca -0.16 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 3kqz n ALA 570 Cb 0.51 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.44 3kqz n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kqz s TRP 571 N 0.30 -0.41 0.05 0.00 -0.00 -1.26 -1.00 118.94 116.62 3kqz s TRP 571 Ca 0.69 0.97 0.03 0.00 -0.00 0.00 0.00 56.10 57.79 3kqz s TRP 571 Cb -0.56 0.14 -0.02 0.00 -0.00 0.00 0.00 33.47 33.03 3kqz s TRP 571 CO 0.45 -0.21 -0.10 0.00 -0.00 0.00 0.00 176.95 177.08 3kqz s ALA 572 N 0.48 0.78 -0.17 5.86 0.00 -0.54 -1.63 121.76 126.55 3kqz s ALA 572 Ca -0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 3kqz s ALA 572 Cb -0.04 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.10 3kqz s ALA 572 CO -0.03 0.06 -0.01 -1.58 0.00 0.00 0.00 175.76 174.20 3kqz s HIS 573 N -1.23 1.34 -0.35 0.00 5.04 0.12 -0.63 115.29 119.58 3kqz s HIS 573 Ca -0.06 -0.90 -0.15 0.00 -1.54 0.00 0.00 55.06 52.40 3kqz s HIS 573 Cb -0.09 -1.15 -0.01 0.00 0.04 0.00 0.00 32.58 31.37 3kqz s HIS 573 CO 0.01 -0.58 0.37 0.42 -2.34 0.00 0.00 174.74 172.62 3kqz s ILE 574 N 1.75 5.16 -0.36 0.89 1.01 0.84 -0.01 121.20 130.49 3kqz s ILE 574 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.52 3kqz s ILE 574 Cb -0.16 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3kqz s ILE 574 CO -0.07 -0.13 0.28 -0.62 0.00 0.00 0.00 174.94 174.39 3kqz s ASP 575 N 1.74 6.09 -0.15 3.58 -1.08 0.91 -1.12 116.67 126.65 3kqz s ASP 575 Ca 0.12 -0.50 0.15 0.00 -0.52 0.00 0.00 52.55 51.81 3kqz s ASP 575 Cb -0.17 -2.15 0.53 0.00 -1.46 0.00 0.00 42.92 39.67 3kqz s ASP 575 CO 0.12 -0.30 1.43 2.30 0.52 0.00 0.00 175.17 179.24 3kqz n ILE 576 N 5.15 2.08 -0.32 4.11 -5.35 0.23 -2.99 119.36 122.26 3kqz n ILE 576 Ca -0.12 -1.64 0.21 0.00 -0.27 0.00 0.00 62.75 60.93 3kqz n ILE 576 Cb 0.49 -0.10 0.47 0.00 -1.74 0.00 0.00 39.64 38.77 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 2.16 2.12 0.00 -1.28 0.00 -1.82 -1.33 119.26 119.11 3kqz h ALA 577 Ca 0.00 0.06 -0.27 0.00 0.00 0.00 0.00 54.91 54.70 3kqz h ALA 577 Cb 1.37 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 3kqz h ALA 577 CO 0.21 -0.51 -1.58 0.78 0.00 0.00 0.00 179.25 178.14 3kqz h GLY 578 N 0.46 0.00 -0.08 0.00 0.00 -1.82 -3.37 103.07 98.26 3kqz h GLY 578 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.91 3kqz h GLY 578 CO -0.31 0.00 -0.86 3.33 0.00 0.00 0.00 176.54 178.71 3kqz n VAL 579 N -3.08 0.00 -0.06 4.60 0.24 -0.59 -4.05 118.33 115.39 3kqz n VAL 579 Ca -0.14 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 61.95 3kqz n VAL 579 Cb 1.02 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 34.34 3kqz n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kqz h SER 580 N 0.18 0.52 -3.04 -1.34 0.87 -1.48 -3.43 113.55 105.83 3kqz h SER 580 Ca 0.00 -0.53 -0.61 0.00 -1.23 0.00 0.00 61.79 59.42 3kqz h SER 580 Cb 0.47 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 62.23 3kqz h SER 580 CO 0.00 0.96 -0.19 0.86 -0.53 0.00 0.00 176.83 177.92 3kqz s TRP 581 N -4.10 3.72 -0.57 2.24 -0.11 -1.26 -0.73 118.94 118.13 3kqz s TRP 581 Ca -0.13 1.00 -0.21 0.00 1.22 0.00 0.00 56.10 57.98 3kqz s TRP 581 Cb 0.06 -2.30 0.07 0.00 -1.50 0.00 0.00 33.47 29.80 3kqz s TRP 581 CO 0.79 0.63 0.79 1.21 -4.62 0.00 0.00 176.95 175.75 3kqz s ASN 582 N -1.14 6.23 0.28 5.86 3.84 0.12 -4.83 114.94 125.30 3kqz s ASN 582 Ca 0.25 -0.91 0.03 0.00 0.21 0.00 0.00 52.86 52.44 3kqz s ASN 582 Cb -0.17 -2.36 0.40 0.00 -0.55 0.00 0.00 41.25 38.57 3kqz s ASN 582 CO 0.14 -1.14 1.70 -0.26 -2.79 0.00 0.00 177.10 174.75 3kqz h PHE 583 N 9.24 0.49 -0.29 0.43 -1.00 -1.97 0.29 116.94 124.14 3kqz h PHE 583 Ca -0.28 -0.12 -0.19 0.00 2.81 0.00 0.00 57.97 60.20 3kqz h PHE 583 Cb 1.08 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 40.53 3kqz h PHE 583 CO 0.86 0.70 -0.55 0.87 -1.61 0.00 0.00 178.31 178.58 3kqz h LYS 584 N 0.37 0.87 -0.01 1.51 1.57 -1.96 -3.28 116.57 115.63 3kqz h LYS 584 Ca 0.05 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3kqz h LYS 584 Cb 0.74 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3kqz h LYS 584 CO 0.06 1.19 -0.56 0.00 -0.57 0.00 0.00 179.45 179.56 3kqz n ALA 585 N -2.57 3.76 -3.08 3.86 0.00 -1.16 -5.00 120.51 116.31 3kqz n ALA 585 Ca -0.04 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 3kqz n ALA 585 Cb 0.63 -0.87 0.04 0.00 0.00 0.00 0.00 19.45 19.25 3kqz n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kqz n ARG 586 N -0.60 -4.38 -3.47 0.00 1.74 0.10 -5.01 116.66 105.04 3kqz n ARG 586 Ca 0.08 0.46 -0.14 0.00 -0.77 0.00 0.00 57.85 57.48 3kqz n ARG 586 Cb 0.40 -4.38 -0.04 0.00 -1.02 0.00 0.00 32.46 27.43 3kqz n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kqz s LYS 587 N -5.65 1.14 0.51 5.56 -2.85 -1.12 -4.99 119.74 112.33 3kqz s LYS 587 Ca 0.30 -0.13 -0.22 0.00 -1.00 0.00 0.00 55.97 54.92 3kqz s LYS 587 Cb -0.13 0.53 -0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3kqz s LYS 587 CO 0.40 -0.44 1.23 -2.30 0.10 0.00 0.00 175.35 174.35 3kqz n PRO 588 N 0.21 1.58 0.13 1.78 -0.02 -1.26 0.16 135.00 137.57 3kqz n PRO 588 Ca -0.17 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 3kqz n PRO 588 Cb 0.61 -2.40 0.27 0.00 -0.02 0.00 0.00 33.50 31.96 3kqz n PRO 588 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3kqz h LYS 589 N 1.44 0.00 -2.73 -0.52 1.57 -1.21 -3.43 116.57 111.68 3kqz h LYS 589 Ca -0.49 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.00 3kqz h LYS 589 Cb 1.32 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.64 3kqz h LYS 589 CO 0.57 0.00 -0.41 0.41 -0.57 0.00 0.00 179.45 179.45 3kqz n GLY 590 N 1.25 -0.21 3.75 3.86 0.00 -1.26 -4.91 105.19 107.67 3kqz n GLY 590 Ca 0.04 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 3kqz n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqz s PHE 591 N -2.87 3.03 0.00 1.61 5.36 -1.26 -2.84 117.98 121.01 3kqz s PHE 591 Ca 0.11 1.07 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 3kqz s PHE 591 Cb -0.05 -3.80 0.00 0.00 -0.34 0.00 0.00 43.02 38.83 3kqz s PHE 591 CO 0.14 -2.55 0.00 0.41 -1.46 0.00 0.00 175.22 171.76 3kqz n GLY 592 N 2.07 3.14 0.13 13.12 0.00 -1.26 -4.77 105.19 117.62 3kqz n GLY 592 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3kqz n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kqz h VAL 593 N 0.00 1.09 -0.24 1.61 2.07 -1.72 -1.91 116.25 117.14 3kqz h VAL 593 Ca 0.00 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.13 3kqz h VAL 593 Cb 0.00 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 3kqz h VAL 593 CO 0.00 0.09 -0.52 0.03 0.02 0.00 0.00 177.57 177.19 3kqz h ARG 594 N 0.33 0.78 -0.13 1.57 3.08 -1.91 -1.64 114.38 116.46 3kqz h ARG 594 Ca 0.09 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3kqz h ARG 594 Cb 0.01 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3kqz h ARG 594 CO -0.02 1.14 0.08 1.25 -1.07 0.00 0.00 179.97 181.35 3kqz h LEU 595 N 0.53 0.12 -0.46 3.04 5.85 -1.86 0.85 115.31 123.38 3kqz h LEU 595 Ca 0.00 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3kqz h LEU 595 Cb 1.13 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3kqz h LEU 595 CO 0.12 0.09 0.14 -0.07 -0.34 0.00 0.00 178.44 178.38 3kqz h LEU 596 N 0.16 0.67 -0.28 2.25 3.38 -1.25 -0.01 115.31 120.23 3kqz h LEU 596 Ca 0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3kqz h LEU 596 Cb -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3kqz h LEU 596 CO -0.02 0.70 0.15 0.74 0.09 0.00 0.00 178.44 180.09 3kqz h THR 597 N 0.60 1.14 -0.82 0.22 2.02 -0.94 -0.70 112.91 114.44 3kqz h THR 597 Ca 0.15 -0.37 0.02 0.00 0.77 0.00 0.00 66.41 66.97 3kqz h THR 597 Cb 0.27 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3kqz h THR 597 CO -0.00 0.14 0.53 -0.33 0.37 0.00 0.00 175.52 176.23 3kqz h GLU 598 N 0.33 1.04 -0.17 6.66 4.39 0.81 0.23 114.58 127.87 3kqz h GLU 598 Ca 0.10 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.78 3kqz h GLU 598 Cb 0.09 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.46 3kqz h GLU 598 CO -0.01 0.69 -0.08 0.35 -1.16 0.00 0.00 179.01 178.79 3kqz h PHE 599 N 1.07 -0.18 0.00 4.33 3.57 -0.63 0.55 116.94 125.66 3kqz h PHE 599 Ca 0.31 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 3kqz h PHE 599 Cb -0.06 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3kqz h PHE 599 CO -0.02 -0.12 -0.36 -0.39 -2.23 0.00 0.00 178.31 175.19 3kqz h VAL 600 N -0.05 0.77 -0.24 1.41 -1.51 -0.40 -2.66 116.25 113.57 3kqz h VAL 600 Ca 0.09 -1.58 -0.18 0.00 -1.23 0.00 0.00 66.70 63.80 3kqz h VAL 600 Cb 0.19 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 3kqz h VAL 600 CO -0.21 0.35 -0.56 -0.07 -1.23 0.00 0.00 177.57 175.86 3kqz h LEU 601 N 0.00 0.90 0.00 4.19 4.07 -0.12 -3.39 115.31 120.96 3kqz h LEU 601 Ca -0.00 -0.56 -0.03 0.00 0.08 0.00 0.00 57.88 57.37 3kqz h LEU 601 Cb 0.98 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 3kqz h LEU 601 CO 0.05 1.30 -0.29 0.78 -1.08 0.00 0.00 178.44 179.19 3kqz h ASN 602 N 0.55 0.00 0.00 -0.43 4.21 0.17 -3.50 115.58 116.58 3kqz h ASN 602 Ca -0.00 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.22 3kqz h ASN 602 Cb 1.17 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 3kqz h ASN 602 CO 0.12 0.81 0.00 -0.90 -1.29 0.00 0.00 177.43 176.17