#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 4.34 -0.31 1.43 0.41 -1.26 -4.91 118.70 118.39 3kqz s GLU 87 Ca 0.00 1.77 -0.28 0.00 -0.41 0.00 0.00 54.97 56.06 3kqz s GLU 87 Cb 0.00 -3.54 0.01 0.00 -1.78 0.00 0.00 34.13 28.83 3kqz s GLU 87 CO 0.00 -0.47 1.01 0.08 -0.49 0.00 0.00 175.26 175.39 3kqz s VAL 88 N 2.14 4.58 0.31 2.63 1.01 -1.26 -5.00 120.40 124.81 3kqz s VAL 88 Ca 0.59 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.89 3kqz s VAL 88 Cb -0.27 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 31.65 3kqz s VAL 88 CO 0.24 -0.42 1.26 -2.16 0.00 0.00 0.00 175.10 174.02 3kqz s PRO 89 N 3.48 4.42 0.03 2.72 0.04 -1.26 -4.93 135.00 139.49 3kqz s PRO 89 Ca 0.42 2.12 0.05 0.00 0.04 0.00 0.00 61.00 63.64 3kqz s PRO 89 Cb -0.13 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 3kqz s PRO 89 CO 0.14 -0.11 -0.13 -0.65 0.04 0.00 0.00 177.00 176.30 3kqz s GLN 90 N -1.62 2.29 -0.03 4.56 -0.21 -1.26 -5.03 119.66 118.37 3kqz s GLN 90 Ca 0.48 -0.87 -0.17 0.00 0.02 0.00 0.00 55.36 54.83 3kqz s GLN 90 Cb -0.38 -2.33 -0.32 0.00 1.00 0.00 0.00 33.01 30.97 3kqz s GLN 90 CO 0.50 0.57 0.84 0.28 -2.12 0.00 0.00 175.29 175.35 3kqz h VAL 91 N 3.84 1.24 -3.83 1.09 2.07 -1.95 -3.48 116.25 115.23 3kqz h VAL 91 Ca -0.48 -2.58 -0.25 0.00 0.82 0.00 0.00 66.70 64.21 3kqz h VAL 91 Cb 1.16 2.99 -0.15 0.00 -1.52 0.00 0.00 31.29 33.77 3kqz h VAL 91 CO 0.51 0.78 -0.68 0.68 0.02 0.00 0.00 177.57 178.88 3kqz s VAL 92 N -2.53 0.65 -1.33 2.57 -7.23 -1.26 -5.03 120.40 106.24 3kqz s VAL 92 Ca -0.13 -1.96 0.24 0.00 -1.81 0.00 0.00 61.98 58.32 3kqz s VAL 92 Cb 0.03 -1.92 0.37 0.00 0.56 0.00 0.00 36.38 35.43 3kqz s VAL 92 CO 0.87 -0.66 1.80 -1.54 -0.31 0.00 0.00 175.10 175.27 3kqz n SER 93 N -0.14 0.00 -0.17 4.85 3.41 -1.26 -1.19 113.62 119.12 3kqz n SER 93 Ca -0.09 0.07 0.14 0.00 -0.26 0.00 0.00 58.87 58.72 3kqz n SER 93 Cb 0.62 -0.34 0.49 0.00 -0.26 0.00 0.00 64.21 64.73 3kqz n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 94 N -1.34 0.71 -4.71 1.04 4.77 -1.26 -4.88 117.00 111.33 3kqz n LEU 94 Ca 0.10 -0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3kqz n LEU 94 Cb 0.21 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.11 3kqz n LEU 94 CO 0.19 0.13 1.09 -1.81 -1.33 0.00 0.00 177.39 175.66 3kqz s ASP 95 N -2.52 6.81 0.61 -1.43 1.01 -0.33 -4.97 116.67 115.85 3kqz s ASP 95 Ca 0.26 2.32 -0.18 0.00 0.71 0.00 0.00 52.55 55.66 3kqz s ASP 95 Cb 0.20 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 3kqz s ASP 95 CO 0.51 -0.68 1.22 -2.84 0.21 0.00 0.00 175.17 173.59 3kqz s PRO 96 N 1.29 2.84 0.00 8.23 0.02 -1.26 -4.95 135.00 141.18 3kqz s PRO 96 Ca 0.65 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.52 3kqz s PRO 96 Cb -0.37 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.24 3kqz s PRO 96 CO 0.30 -1.31 0.74 0.25 -0.33 0.00 0.00 177.00 176.64 3kqz n THR 97 N -1.74 0.48 -3.88 0.99 -2.24 -1.26 -4.82 114.28 101.81 3kqz n THR 97 Ca 0.14 -0.73 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 3kqz n THR 97 Cb 0.49 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.48 -0.06 -0.19 3.42 1.04 -1.26 -4.72 113.70 111.44 3kqz s SER 98 Ca 0.00 -0.72 -0.20 0.00 0.48 0.00 0.00 55.95 55.51 3kqz s SER 98 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3kqz s SER 98 CO 0.00 -0.94 0.58 -0.63 0.98 0.00 0.00 173.24 173.23 3kqz s ILE 99 N -3.93 5.06 0.15 -1.02 1.01 -1.26 -4.87 121.20 116.35 3kqz s ILE 99 Ca 0.14 1.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.57 3kqz s ILE 99 Cb 0.02 -3.90 -0.08 0.00 0.01 0.00 0.00 42.46 38.51 3kqz s ILE 99 CO -0.01 0.15 1.24 -2.16 0.00 0.00 0.00 174.94 174.15 3kqz s PRO 100 N 1.74 4.44 -0.08 2.79 0.04 -1.26 -5.01 135.00 137.67 3kqz s PRO 100 Ca 0.27 1.90 0.02 0.00 0.04 0.00 0.00 61.00 63.23 3kqz s PRO 100 Cb -0.16 -3.26 0.01 0.00 0.04 0.00 0.00 34.50 31.14 3kqz s PRO 100 CO 0.10 -0.19 -0.14 0.42 0.04 0.00 0.00 177.00 177.24 3kqz s ILE 101 N 0.33 1.29 -0.16 0.56 -1.09 -1.26 -5.00 121.20 115.88 3kqz s ILE 101 Ca 0.56 -0.55 -0.19 0.00 -2.23 0.00 0.00 60.65 58.24 3kqz s ILE 101 Cb -0.33 -1.18 -0.04 0.00 -1.58 0.00 0.00 42.46 39.33 3kqz s ILE 101 CO 0.35 0.39 0.51 -1.61 -1.23 0.00 0.00 174.94 173.35 3kqz s GLU 102 N 0.77 4.27 -0.25 2.79 2.02 -1.26 -4.96 118.70 122.08 3kqz s GLU 102 Ca -0.12 0.45 -0.15 0.00 0.02 0.00 0.00 54.97 55.17 3kqz s GLU 102 Cb -0.16 -3.50 -0.10 0.00 0.10 0.00 0.00 34.13 30.47 3kqz s GLU 102 CO 0.02 0.00 -0.35 0.66 0.02 0.00 0.00 175.26 175.62 3kqz n TYR 103 N 4.22 0.02 -2.75 1.61 4.02 -1.26 -4.86 117.16 118.17 3kqz n TYR 103 Ca -0.06 0.01 -0.43 0.00 -0.01 0.00 0.00 57.90 57.41 3kqz n TYR 103 Cb 0.51 -0.86 -0.03 0.00 -0.02 0.00 0.00 39.34 38.93 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 -7.04 6.50 0.21 7.72 0.02 -1.26 -5.02 114.94 116.07 3kqz s ASN 104 Ca -0.36 0.14 0.08 0.00 -1.02 0.00 0.00 52.86 51.70 3kqz s ASN 104 Cb 0.12 -2.48 -0.04 0.00 0.02 0.00 0.00 41.25 38.87 3kqz s ASN 104 CO 0.47 -1.15 -0.01 0.42 0.02 0.00 0.00 177.10 176.85 3kqz s THR 105 N 4.03 3.55 0.59 1.60 -4.23 -1.26 -4.99 115.64 114.93 3kqz s THR 105 Ca 0.39 -1.65 0.29 0.00 -1.18 0.00 0.00 61.69 59.54 3kqz s THR 105 Cb -0.09 -2.83 0.38 0.00 1.34 0.00 0.00 72.50 71.30 3kqz s THR 105 CO 0.27 -0.22 1.94 -0.65 -0.54 0.00 0.00 174.62 175.42 3kqz h PRO 106 N 2.39 0.00 -0.49 3.99 0.11 -2.00 0.59 132.00 136.60 3kqz h PRO 106 Ca -0.46 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3kqz h PRO 106 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3kqz h PRO 106 CO 0.58 0.00 0.14 0.82 -0.21 0.00 0.00 178.00 179.33 3kqz h ILE 107 N 0.00 1.20 0.00 4.15 1.08 -1.94 -1.65 117.51 120.35 3kqz h ILE 107 Ca 0.19 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3kqz h ILE 107 Cb 1.03 0.68 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 3kqz h ILE 107 CO -0.00 0.26 0.00 0.45 -0.69 0.00 0.00 178.15 178.17 3kqz h HIS 108 N 0.71 0.00 -0.01 1.37 3.86 -1.27 -1.75 115.15 118.06 3kqz h HIS 108 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 3kqz h HIS 108 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3kqz h HIS 108 CO 0.01 0.00 -0.05 -0.25 0.86 0.00 0.00 177.93 178.50 3kqz n ASP 109 N -2.49 1.42 -4.64 2.45 8.00 -0.62 -4.86 116.55 115.81 3kqz n ASP 109 Ca 0.01 -1.38 -0.43 0.00 0.71 0.00 0.00 54.79 53.70 3kqz n ASP 109 Cb 0.21 0.03 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 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 -2.10 4.45 -0.28 0.53 1.01 -0.66 -4.81 121.20 119.34 3kqz s ILE 110 Ca 0.35 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.37 3kqz s ILE 110 Cb 0.21 -4.39 0.01 0.00 0.01 0.00 0.00 42.46 38.29 3kqz s ILE 110 CO 0.37 -0.51 1.13 -0.75 0.00 0.00 0.00 174.94 175.18 3kqz s LYS 111 N 3.76 4.11 -0.23 2.79 2.36 -0.16 -4.90 119.74 127.46 3kqz s LYS 111 Ca 0.47 1.24 -0.09 0.00 -2.55 0.00 0.00 55.97 55.04 3kqz s LYS 111 Cb -0.12 -3.74 -0.04 0.00 -1.05 0.00 0.00 37.83 32.87 3kqz s LYS 111 CO 0.17 -0.85 0.13 0.08 1.55 0.00 0.00 175.35 176.42 3kqz s VAL 112 N 3.65 5.08 -0.05 4.02 1.01 -1.26 -0.10 120.40 132.76 3kqz s VAL 112 Ca 0.48 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.60 3kqz s VAL 112 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3kqz s VAL 112 CO 0.14 0.37 -0.22 -1.10 0.00 0.00 0.00 175.10 174.29 3kqz s GLN 113 N 0.98 2.46 -0.21 2.72 1.11 -0.10 -4.97 119.66 121.65 3kqz s GLN 113 Ca 0.06 -0.85 -0.04 0.00 0.01 0.00 0.00 55.36 54.54 3kqz s GLN 113 Cb -0.14 -2.20 -0.02 0.00 -1.01 0.00 0.00 33.01 29.65 3kqz s GLN 113 CO 0.04 0.48 -0.02 0.08 0.01 0.00 0.00 175.29 175.87 3kqz s VAL 114 N -0.39 3.64 0.20 1.09 1.01 -1.26 -0.80 120.40 123.89 3kqz s VAL 114 Ca 0.03 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.70 3kqz s VAL 114 Cb -0.12 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3kqz s VAL 114 CO 0.02 0.42 -0.13 -0.31 0.00 0.00 0.00 175.10 175.10 3kqz s TYR 115 N 1.27 2.53 0.18 5.22 1.51 0.22 -4.93 117.35 123.35 3kqz s TYR 115 Ca 0.03 -0.26 -0.25 0.00 -1.01 0.00 0.00 57.07 55.58 3kqz s TYR 115 Cb -0.14 -1.22 -0.08 0.00 -0.11 0.00 0.00 41.96 40.40 3kqz s TYR 115 CO -0.00 0.53 0.79 0.34 -1.11 0.00 0.00 175.55 176.09 3kqz s ASP 116 N -2.90 7.38 0.26 2.29 -1.08 -1.25 -1.38 116.67 119.99 3kqz s ASP 116 Ca 0.25 1.65 -0.04 0.00 -0.52 0.00 0.00 52.55 53.89 3kqz s ASP 116 Cb -0.08 -2.50 0.32 0.00 -1.46 0.00 0.00 42.92 39.20 3kqz s ASP 116 CO 0.14 0.19 1.88 0.40 0.52 0.00 0.00 175.17 178.30 3kqz h ILE 117 N 3.25 1.24 -2.60 4.11 2.04 -1.69 -3.42 117.51 120.43 3kqz h ILE 117 Ca -0.47 -0.60 -0.53 0.00 1.00 0.00 0.00 64.86 64.26 3kqz h ILE 117 Cb 1.20 0.16 0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3kqz h ILE 117 CO 0.66 0.27 1.03 0.29 0.00 0.00 0.00 178.15 180.40 3kqz n LYS 118 N -4.34 2.77 0.00 2.37 5.02 -1.26 -0.48 118.16 122.24 3kqz n LYS 118 Ca 0.08 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 3kqz n LYS 118 Cb 0.11 -2.86 0.00 0.00 -0.02 0.00 0.00 35.03 32.26 3kqz n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 119 N 4.02 1.05 0.00 0.72 0.00 -1.26 -5.01 105.19 104.71 3kqz n GLY 119 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.05 0.44 3.87 -0.02 0.00 0.37 -4.94 105.19 104.87 3kqz n GLY 120 Ca 0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.85 6.38 -0.33 0.00 0.01 -1.26 0.37 114.94 118.26 3kqz s ASN 122 Ca 0.33 0.44 0.03 0.00 -0.71 0.00 0.00 52.86 52.96 3kqz s ASN 122 Cb -0.14 -2.10 0.10 0.00 0.41 0.00 0.00 41.25 39.52 3kqz s ASN 122 CO 0.19 0.30 0.04 -0.69 -1.51 0.00 0.00 177.10 175.43 3kqz s VAL 123 N -0.47 2.09 0.00 1.60 1.01 -1.26 -4.91 120.40 118.46 3kqz s VAL 123 Ca 0.14 -2.15 0.00 0.00 0.00 0.00 0.00 61.98 59.97 3kqz s VAL 123 Cb -0.12 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.74 3kqz s VAL 123 CO 0.03 -0.54 0.00 -0.62 0.00 0.00 0.00 175.10 173.97 3kqz n GLU 124 N 4.34 2.23 -3.71 2.72 -0.58 -1.26 -4.90 120.64 119.48 3kqz n GLU 124 Ca 0.01 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.70 3kqz n GLU 124 Cb 0.42 -0.86 -0.02 0.00 -0.57 0.00 0.00 31.44 30.42 3kqz n GLU 124 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3kqz s GLU 125 N -1.56 1.26 3.82 3.49 1.03 -1.26 -4.91 118.70 120.58 3kqz s GLU 125 Ca 0.00 -0.65 0.00 0.00 0.03 0.00 0.00 54.97 54.35 3kqz s GLU 125 Cb 0.00 0.46 0.00 0.00 -0.80 0.00 0.00 34.13 33.79 3kqz s GLU 125 CO 0.00 -0.57 0.00 0.41 -1.33 0.00 0.00 175.26 173.77 3kqz n GLY 126 N -0.43 2.01 3.51 -3.83 0.00 -1.26 -4.64 105.19 100.55 3kqz n GLY 126 Ca -0.07 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 3.28 -0.14 0.99 2.96 -0.21 -0.91 118.68 124.66 3kqz s LEU 127 Ca 0.00 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3kqz s LEU 127 Cb 0.00 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 3kqz s LEU 127 CO 0.00 0.17 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.16 3kqz s THR 128 N 0.33 2.70 -0.07 3.68 2.01 0.82 0.01 115.64 125.12 3kqz s THR 128 Ca -0.04 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.22 3kqz s THR 128 Cb -0.14 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.26 3kqz s THR 128 CO 0.03 0.52 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.72 3kqz s ILE 129 N 0.61 1.18 -0.17 1.82 -1.09 0.52 -0.49 121.20 123.58 3kqz s ILE 129 Ca -0.09 -0.51 -0.08 0.00 -2.23 0.00 0.00 60.65 57.74 3kqz s ILE 129 Cb -0.16 -1.08 -0.05 0.00 -1.58 0.00 0.00 42.46 39.60 3kqz s ILE 129 CO 0.03 0.37 0.11 -0.36 -1.23 0.00 0.00 174.94 173.86 3kqz s PHE 130 N 0.66 3.41 -0.45 3.97 0.40 -0.03 0.28 117.98 126.22 3kqz s PHE 130 Ca -0.15 0.31 -0.20 0.00 -0.60 0.00 0.00 56.93 56.30 3kqz s PHE 130 Cb -0.16 -2.08 0.03 0.00 0.51 0.00 0.00 43.02 41.32 3kqz s PHE 130 CO 0.04 0.36 0.60 -0.51 0.70 0.00 0.00 175.22 176.41 3kqz s LEU 131 N 0.02 4.65 -0.02 -0.37 1.43 -0.02 -1.82 118.68 122.55 3kqz s LEU 131 Ca 0.09 -0.50 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 3kqz s LEU 131 Cb -0.12 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 3kqz s LEU 131 CO -0.00 -0.76 -0.14 -0.69 0.23 0.00 0.00 176.35 174.99 3kqz s VAL 132 N 2.65 1.16 0.47 -1.59 1.01 -1.08 -1.93 120.40 121.08 3kqz s VAL 132 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3kqz s VAL 132 Cb -0.15 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3kqz s VAL 132 CO 0.17 0.33 0.03 -0.46 0.00 0.00 0.00 175.10 175.17 3kqz n ASN 133 N 2.91 3.24 -3.39 3.32 0.23 -1.26 -0.36 115.26 119.94 3kqz n ASN 133 Ca -0.16 -3.01 -0.18 0.00 -0.53 0.00 0.00 54.58 50.69 3kqz n ASN 133 Cb 0.54 0.30 -0.09 0.00 -2.08 0.00 0.00 39.78 38.45 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 -3.59 1.60 0.00 0.53 3.84 -0.59 -4.74 114.94 112.00 3kqz s ASN 134 Ca 0.02 -1.28 -0.01 0.00 0.21 0.00 0.00 52.86 51.80 3kqz s ASN 134 Cb -0.00 0.43 -0.06 0.00 -0.55 0.00 0.00 41.25 41.07 3kqz s ASN 134 CO 0.01 -0.32 1.25 -2.65 -2.79 0.00 0.00 177.10 172.60 3kqz n PRO 135 N 4.70 0.57 0.00 0.43 -0.02 -1.26 -4.35 135.00 135.07 3kqz n PRO 135 Ca 0.05 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3kqz n PRO 135 Cb 0.45 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 3kqz n PRO 135 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kqz n LYS 137 N 2.40 0.00 -1.65 -0.52 4.01 -1.26 -4.92 118.16 116.22 3kqz n LYS 137 Ca 0.09 0.00 -0.51 0.00 -0.51 0.00 0.00 58.31 57.38 3kqz n LYS 137 Cb 0.27 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.73 3kqz n LYS 137 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3kqz n GLU 138 N 0.00 1.75 -2.08 1.97 4.71 -1.26 0.46 120.64 126.19 3kqz n GLU 138 Ca 0.00 0.62 -0.19 0.00 -0.01 0.00 0.00 57.16 57.58 3kqz n GLU 138 Cb 0.00 -2.50 -0.03 0.00 -1.01 0.00 0.00 31.44 27.89 3kqz n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kqz n ASN 139 N 7.02 -5.41 -4.61 1.62 3.02 -1.26 -4.99 115.26 110.65 3kqz n ASN 139 Ca 0.27 0.15 -0.29 0.00 -0.03 0.00 0.00 54.58 54.67 3kqz n ASN 139 Cb 0.25 -4.50 0.19 0.00 -0.61 0.00 0.00 39.78 35.11 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kqz s GLY 140 N -2.37 1.60 0.71 7.41 0.00 0.17 -4.42 107.32 110.43 3kqz s GLY 140 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.64 3kqz s GLY 140 CO 0.00 0.64 1.18 2.56 0.00 0.00 0.00 173.10 177.48 3kqz s PRO 141 N -4.66 2.30 -0.08 2.90 0.04 -1.26 -0.58 135.00 133.66 3kqz s PRO 141 Ca 0.66 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 3kqz s PRO 141 Cb -0.22 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3kqz s PRO 141 CO 0.60 -1.69 0.99 0.08 0.04 0.00 0.00 177.00 177.03 3kqz s VAL 142 N -2.07 4.81 -0.17 -0.36 1.01 -0.63 -4.63 120.40 118.37 3kqz s VAL 142 Ca 0.72 2.04 0.01 0.00 0.00 0.00 0.00 61.98 64.75 3kqz s VAL 142 Cb -0.27 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.81 3kqz s VAL 142 CO 0.44 0.05 -0.17 -0.54 0.00 0.00 0.00 175.10 174.88 3kqz s LYS 143 N 1.72 3.11 -0.31 2.72 3.01 -1.26 -3.75 119.74 124.99 3kqz s LYS 143 Ca 0.49 -0.79 -0.22 0.00 -1.01 0.00 0.00 55.97 54.44 3kqz s LYS 143 Cb -0.19 -2.60 -0.00 0.00 -1.01 0.00 0.00 37.83 34.02 3kqz s LYS 143 CO 0.21 -0.09 0.72 0.42 0.51 0.00 0.00 175.35 177.12 3kqz s ILE 144 N 1.03 4.86 -0.03 2.17 -1.09 -1.26 -4.92 121.20 121.97 3kqz s ILE 144 Ca -0.01 1.02 -0.05 0.00 -2.23 0.00 0.00 60.65 59.38 3kqz s ILE 144 Cb -0.15 -4.08 -0.28 0.00 -1.58 0.00 0.00 42.46 36.37 3kqz s ILE 144 CO -0.05 -0.21 0.74 0.28 -1.23 0.00 0.00 174.94 174.48 3kqz h SER 145 N 8.16 0.43 -3.19 3.58 0.02 -1.97 -3.47 113.55 117.11 3kqz h SER 145 Ca -0.25 -0.66 -0.53 0.00 -0.84 0.00 0.00 61.79 59.51 3kqz h SER 145 Cb 1.11 -0.14 0.06 0.00 0.14 0.00 0.00 62.40 63.56 3kqz h SER 145 CO 0.85 1.56 0.83 -0.44 -1.14 0.00 0.00 176.83 178.48 3kqz s SER 146 N -7.02 6.57 0.30 3.07 0.01 -1.26 -5.00 113.70 110.37 3kqz s SER 146 Ca -0.12 2.72 -0.29 0.00 1.31 0.00 0.00 55.95 59.57 3kqz s SER 146 Cb 0.06 -2.62 -0.13 0.00 0.21 0.00 0.00 66.02 63.55 3kqz s SER 146 CO 0.84 -0.79 1.26 1.17 0.41 0.00 0.00 173.24 176.13 3kqz n LYS 147 N 2.82 1.93 -4.76 12.44 3.00 -1.26 -4.92 118.16 127.42 3kqz n LYS 147 Ca 0.09 0.68 -0.28 0.00 -0.00 0.00 0.00 58.31 58.81 3kqz n LYS 147 Cb 0.39 -2.24 -0.17 0.00 0.00 0.00 0.00 35.03 33.02 3kqz n LYS 147 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3kqz s VAL 148 N -0.81 1.49 0.00 3.15 1.01 -1.26 -0.74 120.40 123.24 3kqz s VAL 148 Ca 0.60 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3kqz s VAL 148 Cb -0.62 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.43 3kqz s VAL 148 CO 0.59 0.44 1.34 0.59 0.00 0.00 0.00 175.10 178.05 3kqz n ASN 149 N 3.80 3.70 -3.73 3.32 3.02 0.16 -4.63 115.26 120.90 3kqz n ASN 149 Ca -0.21 -1.99 -0.28 0.00 -0.03 0.00 0.00 54.58 52.06 3kqz n ASN 149 Cb 0.52 -0.73 -0.16 0.00 -0.61 0.00 0.00 39.78 38.80 3kqz n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kqz s ASP 150 N 1.56 3.23 0.31 6.41 2.15 -1.26 -4.81 116.67 124.26 3kqz s ASP 150 Ca 0.00 -1.04 0.03 0.00 0.43 0.00 0.00 52.55 51.97 3kqz s ASP 150 Cb 0.00 -0.66 0.60 0.00 -0.30 0.00 0.00 42.92 42.56 3kqz s ASP 150 CO 0.00 -0.34 1.90 0.11 -0.17 0.00 0.00 175.17 176.68 3kqz h LYS 151 N 8.21 0.92 -0.06 4.34 1.57 -1.98 1.43 116.57 130.99 3kqz h LYS 151 Ca -0.16 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 3kqz h LYS 151 Cb 1.09 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3kqz h LYS 151 CO 0.37 0.61 -0.18 1.96 -0.57 0.00 0.00 179.45 181.64 3kqz h GLN 152 N 0.94 0.23 -0.18 3.15 1.08 -1.91 -2.43 115.11 115.99 3kqz h GLN 152 Ca 0.40 -0.16 -0.17 0.00 -1.45 0.00 0.00 58.65 57.27 3kqz h GLN 152 Cb 0.32 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.77 3kqz h GLN 152 CO -0.16 0.78 -0.57 0.28 -0.95 0.00 0.00 178.83 178.21 3kqz h VAL 153 N -0.28 1.32 -0.86 -0.54 2.07 -1.75 -2.10 116.25 114.10 3kqz h VAL 153 Ca -0.00 -1.82 0.09 0.00 0.82 0.00 0.00 66.70 65.78 3kqz h VAL 153 Cb 0.79 1.79 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 3kqz h VAL 153 CO 0.04 0.57 0.56 0.28 0.02 0.00 0.00 177.57 179.03 3kqz h SER 154 N 0.44 0.77 0.30 0.57 0.02 0.19 0.45 113.55 116.29 3kqz h SER 154 Ca 0.00 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 3kqz h SER 154 Cb 1.12 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.52 3kqz h SER 154 CO 0.11 0.47 -0.14 -0.08 -1.14 0.00 0.00 176.83 176.04 3kqz h GLU 155 N 0.86 -0.39 -0.99 3.45 4.57 -0.96 -1.67 114.58 119.45 3kqz h GLU 155 Ca 0.39 0.03 0.22 0.00 -1.18 0.00 0.00 59.36 58.82 3kqz h GLU 155 Cb 0.38 0.09 -0.12 0.00 -0.16 0.00 0.00 28.75 28.94 3kqz h GLU 155 CO -0.16 -0.12 0.57 0.35 -1.18 0.00 0.00 179.01 178.48 3kqz h PHE 156 N -0.64 0.99 -0.23 0.92 3.57 -0.91 -1.40 116.94 119.24 3kqz h PHE 156 Ca -0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3kqz h PHE 156 Cb 0.45 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3kqz h PHE 156 CO 0.00 0.11 0.00 1.28 -2.23 0.00 0.00 178.31 177.47 3kqz n LEU 157 N -4.87 1.54 -4.77 0.59 4.77 0.11 -4.39 117.00 109.99 3kqz n LEU 157 Ca 0.25 -0.72 -0.40 0.00 -0.03 0.00 0.00 56.01 55.11 3kqz n LEU 157 Cb 0.67 -0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3kqz n LEU 157 CO 0.18 0.36 1.05 -0.54 -1.33 0.00 0.00 177.39 177.11 3kqz s LYS 158 N -1.69 3.78 0.36 3.23 -0.14 -0.53 -4.52 119.74 120.23 3kqz s LYS 158 Ca 0.26 2.38 0.17 0.00 -1.36 0.00 0.00 55.97 57.41 3kqz s LYS 158 Cb 0.13 -2.70 1.14 0.00 -1.68 0.00 0.00 37.83 34.72 3kqz s LYS 158 CO 0.19 -0.73 1.67 -0.44 -0.76 0.00 0.00 175.35 175.28 3kqz h ASP 159 N 2.45 0.47 -0.13 2.83 3.32 -1.91 0.23 116.42 123.69 3kqz h ASP 159 Ca -0.51 0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.67 3kqz h ASP 159 Cb 1.26 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.92 3kqz h ASP 159 CO 0.62 -0.13 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.63 3kqz h GLU 160 N 0.29 0.40 0.06 3.56 3.07 -1.95 -1.34 114.58 118.68 3kqz h GLU 160 Ca 0.74 -0.09 -0.30 0.00 -0.50 0.00 0.00 59.36 59.22 3kqz h GLU 160 Cb 1.79 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 29.62 3kqz h GLU 160 CO -0.56 0.47 -1.58 -0.97 -1.40 0.00 0.00 179.01 174.97 3kqz h ASN 161 N 0.39 0.20 1.76 1.42 -0.73 -1.25 -3.38 115.58 113.99 3kqz h ASN 161 Ca 0.08 -0.33 0.00 0.00 1.87 0.00 0.00 56.30 57.93 3kqz h ASN 161 Cb 0.34 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.86 3kqz h ASN 161 CO 0.01 1.28 -0.00 0.24 -0.37 0.00 0.00 177.43 178.59 3kqz h MET 162 N 0.03 0.00 -0.89 6.67 2.86 -1.11 -3.21 114.93 119.29 3kqz h MET 162 Ca -0.25 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.55 3kqz h MET 162 Cb 1.98 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 33.55 3kqz h MET 162 CO 0.12 0.00 0.47 1.49 1.06 0.00 0.00 176.91 180.05 3kqz h GLU 163 N 0.00 0.64 -1.71 1.72 4.22 -1.34 -1.14 114.58 116.97 3kqz h GLU 163 Ca 0.00 -0.04 0.50 0.00 0.08 0.00 0.00 59.36 59.90 3kqz h GLU 163 Cb 0.88 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 3kqz h GLU 163 CO 0.00 0.42 1.32 0.87 -2.18 0.00 0.00 179.01 179.44 3kqz h LYS 164 N 0.65 0.00 -6.26 1.92 1.57 -1.80 -3.42 116.57 109.24 3kqz h LYS 164 Ca 0.49 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.69 3kqz h LYS 164 Cb 0.71 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.91 3kqz h LYS 164 CO -0.37 0.00 -0.67 -0.06 -0.57 0.00 0.00 179.45 177.78 3kqz s PHE 165 N -4.79 2.66 0.16 -1.35 0.40 -0.43 -5.05 117.98 109.58 3kqz s PHE 165 Ca -0.05 -0.23 0.05 0.00 -0.60 0.00 0.00 56.93 56.11 3kqz s PHE 165 Cb 0.24 -1.20 -0.04 0.00 0.51 0.00 0.00 43.02 42.52 3kqz s PHE 165 CO 0.81 0.60 -0.11 0.54 0.70 0.00 0.00 175.22 177.76 3kqz s ASN 166 N -3.46 1.98 0.00 1.36 2.20 -1.26 -1.60 114.94 114.16 3kqz s ASN 166 Ca 0.30 -1.01 0.17 0.00 -0.94 0.00 0.00 52.86 51.38 3kqz s ASN 166 Cb -0.07 -0.04 0.48 0.00 -2.00 0.00 0.00 41.25 39.62 3kqz s ASN 166 CO 0.19 -0.29 1.39 1.33 -2.94 0.00 0.00 177.10 176.78 3kqz n VAL 167 N -0.21 0.61 -1.33 3.54 0.24 0.25 -4.72 118.33 116.72 3kqz n VAL 167 Ca -0.10 -0.65 -0.52 0.00 -2.04 0.00 0.00 64.34 61.03 3kqz n VAL 167 Cb 0.60 0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 33.29 3kqz n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqz n LYS 168 N 0.95 0.00 -1.69 7.34 4.81 -1.26 -0.33 118.16 127.98 3kqz n LYS 168 Ca 0.17 0.00 -0.54 0.00 -0.87 0.00 0.00 58.31 57.07 3kqz n LYS 168 Cb 0.43 -1.32 -0.06 0.00 0.02 0.00 0.00 35.03 34.10 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqz n LEU 169 N 1.43 2.72 0.00 3.14 -0.00 -1.26 -0.46 117.00 122.56 3kqz n LEU 169 Ca 0.18 1.04 0.00 0.00 -0.00 0.00 0.00 56.01 57.23 3kqz n LEU 169 Cb 0.06 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 42.26 3kqz n LEU 169 CO 0.55 -0.33 0.00 0.61 -0.00 0.00 0.00 177.39 178.21 3kqz n GLY 170 N 4.16 2.47 3.77 -3.96 0.00 -0.47 -4.96 105.19 106.19 3kqz n GLY 170 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.41 2.03 0.02 2.61 2.01 0.39 -4.69 115.64 115.59 3kqz s THR 171 Ca 0.00 0.03 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 3kqz s THR 171 Cb 0.00 -3.02 0.00 0.00 0.01 0.00 0.00 72.50 69.50 3kqz s THR 171 CO 0.00 0.01 0.17 -0.94 -0.69 0.00 0.00 174.62 173.16 3kqz s SER 172 N -0.38 0.02 0.00 3.53 1.04 -1.26 0.15 113.70 116.80 3kqz s SER 172 Ca 0.59 -0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.72 3kqz s SER 172 Cb -0.45 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.91 3kqz s SER 172 CO 0.59 -0.45 0.06 -0.54 0.98 0.00 0.00 173.24 173.88 3kqz s LYS 173 N -1.86 0.35 -0.07 4.02 -0.14 -1.06 -5.00 119.74 115.99 3kqz s LYS 173 Ca -0.11 -0.38 -0.08 0.00 -1.36 0.00 0.00 55.97 54.04 3kqz s LYS 173 Cb -0.05 0.14 0.02 0.00 -1.68 0.00 0.00 37.83 36.26 3kqz s LYS 173 CO -0.00 -0.07 0.22 -3.38 -0.76 0.00 0.00 175.35 171.36 3kqz s HIS 174 N -1.14 -0.20 0.01 3.18 -3.43 -1.26 -1.63 115.29 110.82 3kqz s HIS 174 Ca -0.12 0.46 0.06 0.00 -0.80 0.00 0.00 55.06 54.65 3kqz s HIS 174 Cb -0.07 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.13 3kqz s HIS 174 CO 0.00 -0.17 -0.18 -0.06 -2.00 0.00 0.00 174.74 172.34 3kqz s PHE 175 N -0.24 1.56 0.12 0.38 0.40 0.13 -4.91 117.98 115.42 3kqz s PHE 175 Ca -0.04 -0.32 -0.23 0.00 -0.60 0.00 0.00 56.93 55.75 3kqz s PHE 175 Cb -0.03 -0.98 -0.07 0.00 0.51 0.00 0.00 43.02 42.45 3kqz s PHE 175 CO 0.01 0.01 0.68 0.71 0.70 0.00 0.00 175.22 177.32 3kqz s TYR 176 N -0.54 3.86 0.17 0.36 1.51 -1.26 -0.14 117.35 121.30 3kqz s TYR 176 Ca 0.06 1.47 -0.18 0.00 -1.01 0.00 0.00 57.07 57.41 3kqz s TYR 176 Cb -0.07 -2.64 0.04 0.00 -0.11 0.00 0.00 41.96 39.17 3kqz s TYR 176 CO 0.00 0.55 0.49 0.00 -1.11 0.00 0.00 175.55 175.48 3kqz s MET 177 N -1.13 1.26 0.10 -0.62 0.23 0.71 -4.97 119.30 114.88 3kqz s MET 177 Ca 0.33 -0.75 -0.29 0.00 -1.03 0.00 0.00 55.69 53.95 3kqz s MET 177 Cb -0.21 0.51 -0.06 0.00 -1.53 0.00 0.00 34.83 33.54 3kqz s MET 177 CO 0.23 -0.52 0.90 -0.06 -2.03 0.00 0.00 175.02 173.54 3kqz s PHE 178 N -3.83 3.80 0.00 3.16 0.08 -1.26 -0.52 117.98 119.41 3kqz s PHE 178 Ca 0.06 1.72 0.00 0.00 0.12 0.00 0.00 56.93 58.82 3kqz s PHE 178 Cb -0.00 -2.98 0.00 0.00 -0.57 0.00 0.00 43.02 39.47 3kqz s PHE 178 CO -0.08 0.25 0.00 0.27 -0.10 0.00 0.00 175.22 175.56 3kqz n ASN 179 N 2.69 0.00 0.27 1.36 0.23 -0.88 -4.72 115.26 114.21 3kqz n ASN 179 Ca 0.01 -0.56 0.14 0.00 -0.53 0.00 0.00 54.58 53.64 3kqz n ASN 179 Cb 0.49 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.92 3kqz n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kqz h ASP 180 N 0.00 0.00 -0.17 0.53 3.45 -1.90 -0.22 116.42 118.11 3kqz h ASP 180 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3kqz h ASP 180 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3kqz h ASP 180 CO 0.00 0.10 0.00 0.59 -1.57 0.00 0.00 179.24 178.36 3kqz n ASN 181 N -3.40 1.88 -2.47 6.45 3.02 -1.26 -4.89 115.26 114.60 3kqz n ASN 181 Ca -0.01 -1.72 -0.19 0.00 -0.03 0.00 0.00 54.58 52.62 3kqz n ASN 181 Cb 0.27 -0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.35 3kqz n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kqz n LYS 182 N 0.46 -3.21 -3.77 3.52 5.02 -0.09 -4.98 118.16 115.10 3kqz n LYS 182 Ca 0.17 0.85 -0.36 0.00 -2.02 0.00 0.00 58.31 56.95 3kqz n LYS 182 Cb 0.37 -5.46 -0.10 0.00 -0.02 0.00 0.00 35.03 29.83 3kqz n LYS 182 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kqz s ASN 183 N -2.51 5.89 0.04 4.39 2.47 -1.26 -4.81 114.94 119.15 3kqz s ASN 183 Ca 0.16 0.08 -0.30 0.00 0.42 0.00 0.00 52.86 53.22 3kqz s ASN 183 Cb -0.07 -2.05 -0.08 0.00 -1.45 0.00 0.00 41.25 37.60 3kqz s ASN 183 CO 0.20 0.10 1.81 -0.55 -3.72 0.00 0.00 177.10 174.94 3kqz s SER 184 N 0.85 6.52 0.07 -4.21 0.15 -1.26 -2.07 113.70 113.75 3kqz s SER 184 Ca 0.06 2.56 0.04 0.00 0.70 0.00 0.00 55.95 59.32 3kqz s SER 184 Cb -0.13 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 3kqz s SER 184 CO 0.03 -0.98 -0.12 0.68 1.20 0.00 0.00 173.24 174.04 3kqz s VAL 185 N 3.67 0.98 -0.11 4.45 -7.23 0.32 -4.62 120.40 117.86 3kqz s VAL 185 Ca 0.81 -1.31 -0.03 0.00 -1.81 0.00 0.00 61.98 59.64 3kqz s VAL 185 Cb -0.41 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 3kqz s VAL 185 CO 0.36 -0.30 0.02 0.00 -0.31 0.00 0.00 175.10 174.87 3kqz s ALA 186 N -1.44 3.33 0.00 1.32 0.00 -0.09 -0.21 121.76 124.68 3kqz s ALA 186 Ca -0.03 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3kqz s ALA 186 Cb -0.09 -1.60 -0.01 0.00 0.00 0.00 0.00 23.12 21.42 3kqz s ALA 186 CO 0.02 0.49 -0.06 0.08 0.00 0.00 0.00 175.76 176.29 3kqz s VAL 187 N -0.58 0.48 0.00 0.00 1.01 0.80 -0.13 120.40 121.98 3kqz s VAL 187 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.68 3kqz s VAL 187 Cb -0.12 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.83 3kqz s VAL 187 CO 0.02 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.78 3kqz n GLY 188 N 2.68 1.13 3.26 4.51 0.00 0.36 0.18 105.19 117.31 3kqz n GLY 188 Ca -0.15 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.73 0.36 -0.08 1.61 1.13 -0.64 -0.85 117.35 115.14 3kqz s TYR 189 Ca 0.00 -0.75 0.03 0.00 -1.41 0.00 0.00 57.07 54.93 3kqz s TYR 189 Cb 0.00 -0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.76 3kqz s TYR 189 CO 0.00 -0.62 -0.16 0.08 -2.51 0.00 0.00 175.55 172.34 3kqz s VAL 190 N -3.93 1.43 0.31 -3.49 1.01 -0.75 -2.55 120.40 112.42 3kqz s VAL 190 Ca 0.13 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.18 3kqz s VAL 190 Cb 0.04 -1.29 -0.09 0.00 0.00 0.00 0.00 36.38 35.04 3kqz s VAL 190 CO -0.04 0.42 1.12 -0.83 0.00 0.00 0.00 175.10 175.77 3kqz s GLY 191 N 0.66 3.01 -0.05 4.51 0.00 0.12 -2.64 107.32 112.93 3kqz s GLY 191 Ca -0.14 0.93 0.08 0.00 0.00 0.00 0.00 44.72 45.59 3kqz s GLY 191 CO 0.04 1.51 1.06 0.00 0.00 0.00 0.00 173.10 175.71 3kqz n GLY 193 N -0.88 -0.50 0.03 0.00 0.00 0.56 -4.52 105.19 99.89 3kqz n GLY 193 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3kqz n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqz n SER 194 N -0.79 1.39 -4.76 1.61 3.41 -1.26 -1.54 113.62 111.67 3kqz n SER 194 Ca 0.00 -1.35 -0.40 0.00 -0.26 0.00 0.00 58.87 56.86 3kqz n SER 194 Cb 0.00 -0.01 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3kqz n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqz s VAL 195 N -0.37 4.41 0.13 -3.33 1.01 -1.26 -4.17 120.40 116.82 3kqz s VAL 195 Ca 0.01 1.80 -0.12 0.00 0.00 0.00 0.00 61.98 63.67 3kqz s VAL 195 Cb 0.01 -4.19 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 3kqz s VAL 195 CO 0.01 0.46 1.49 0.00 0.00 0.00 0.00 175.10 177.06 3kqz h ALA 196 N 4.75 0.56 -3.05 5.51 0.00 -1.93 -3.42 119.26 121.68 3kqz h ALA 196 Ca -0.45 -0.41 -0.68 0.00 0.00 0.00 0.00 54.91 53.37 3kqz h ALA 196 Cb 1.21 -0.13 -0.27 0.00 0.00 0.00 0.00 17.79 18.60 3kqz h ALA 196 CO 0.68 0.58 -0.63 0.16 0.00 0.00 0.00 179.25 180.05 3kqz s ASP 197 N -6.67 5.10 0.31 0.00 1.47 -1.26 -4.46 116.67 111.16 3kqz s ASP 197 Ca -0.12 -0.77 -0.27 0.00 1.18 0.00 0.00 52.55 52.58 3kqz s ASP 197 Cb 0.11 -1.87 -0.09 0.00 -0.34 0.00 0.00 42.92 40.72 3kqz s ASP 197 CO 0.86 -0.20 0.98 -0.76 0.68 0.00 0.00 175.17 176.73 3kqz s LEU 198 N 1.48 4.40 0.64 2.11 1.43 -1.26 -5.05 118.68 122.43 3kqz s LEU 198 Ca 0.02 1.96 -0.09 0.00 -1.03 0.00 0.00 54.13 54.98 3kqz s LEU 198 Cb -0.17 -3.91 0.00 0.00 0.03 0.00 0.00 46.19 42.14 3kqz s LEU 198 CO 0.02 -0.11 1.01 -0.94 0.23 0.00 0.00 176.35 176.56 3kqz s SER 199 N -1.41 5.67 0.32 2.29 1.04 -1.26 -4.90 113.70 115.44 3kqz s SER 199 Ca 0.49 1.04 0.06 0.00 0.48 0.00 0.00 55.95 58.02 3kqz s SER 199 Cb -0.23 -1.97 0.71 0.00 0.10 0.00 0.00 66.02 64.63 3kqz s SER 199 CO 0.29 -1.13 1.83 1.05 0.98 0.00 0.00 173.24 176.25 3kqz h GLU 200 N -0.40 0.79 -0.10 4.02 -0.00 -1.97 -0.90 114.58 116.02 3kqz h GLU 200 Ca -0.45 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.36 58.86 3kqz h GLU 200 Cb 1.24 -0.18 -0.00 0.00 -0.00 0.00 0.00 28.75 29.81 3kqz h GLU 200 CO 0.62 0.53 0.05 0.00 -0.00 0.00 0.00 179.01 180.21 3kqz h ALA 201 N 1.59 0.13 -0.46 1.06 0.00 -1.93 -0.42 119.26 119.24 3kqz h ALA 201 Ca 0.50 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.42 3kqz h ALA 201 Cb 0.70 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 3kqz h ALA 201 CO -0.27 -0.30 0.01 -0.44 0.00 0.00 0.00 179.25 178.25 3kqz h ASP 202 N 0.04 -0.17 -0.31 0.00 3.32 -1.76 -1.46 116.42 116.08 3kqz h ASP 202 Ca 0.04 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 3kqz h ASP 202 Cb 0.13 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3kqz h ASP 202 CO -0.00 -0.05 -0.16 -0.03 -1.72 0.00 0.00 179.24 177.27 3kqz h MET 203 N 0.13 0.76 -0.33 3.56 4.05 -0.86 -0.61 114.93 121.64 3kqz h MET 203 Ca 0.23 -0.28 0.03 0.00 -0.28 0.00 0.00 59.70 59.41 3kqz h MET 203 Cb 0.33 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 3kqz h MET 203 CO -0.37 0.88 0.12 0.87 0.23 0.00 0.00 176.91 178.64 3kqz h LYS 204 N 0.68 0.26 -0.74 0.39 1.57 -0.45 0.53 116.57 118.81 3kqz h LYS 204 Ca 0.11 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3kqz h LYS 204 Cb 0.65 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.87 3kqz h LYS 204 CO 0.05 0.17 0.43 0.00 -0.57 0.00 0.00 179.45 179.53 3kqz h ARG 205 N 0.27 1.01 -0.17 3.15 3.08 -0.42 0.26 114.38 121.55 3kqz h ARG 205 Ca 0.15 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3kqz h ARG 205 Cb 0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3kqz h ARG 205 CO -0.14 0.72 0.03 0.28 -1.07 0.00 0.00 179.97 179.79 3kqz h VAL 206 N 1.02 1.22 -0.67 2.04 2.07 -0.07 -2.74 116.25 119.11 3kqz h VAL 206 Ca 0.26 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 3kqz h VAL 206 Cb -0.02 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3kqz h VAL 206 CO -0.05 0.21 0.36 0.58 0.02 0.00 0.00 177.57 178.69 3kqz h VAL 207 N 0.07 1.21 -0.78 2.57 2.07 -0.31 -2.03 116.25 119.05 3kqz h VAL 207 Ca 0.05 -0.55 0.13 0.00 0.82 0.00 0.00 66.70 67.16 3kqz h VAL 207 Cb 0.29 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.36 3kqz h VAL 207 CO 0.00 0.24 0.51 -0.07 0.02 0.00 0.00 177.57 178.27 3kqz h LEU 208 N 0.92 0.50 0.07 2.57 4.07 -0.33 0.43 115.31 123.55 3kqz h LEU 208 Ca 0.24 0.02 -0.21 0.00 0.08 0.00 0.00 57.88 58.01 3kqz h LEU 208 Cb 0.06 -0.08 0.02 0.00 1.08 0.00 0.00 40.66 41.74 3kqz h LEU 208 CO -0.04 0.27 -0.85 -1.28 -1.08 0.00 0.00 178.44 175.47 3kqz h SER 209 N 0.54 0.63 -0.21 -0.43 0.87 -1.13 -0.95 113.55 112.87 3kqz h SER 209 Ca 0.38 -0.82 0.02 0.00 -1.23 0.00 0.00 61.79 60.14 3kqz h SER 209 Cb 0.72 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 3kqz h SER 209 CO -0.14 1.39 0.06 0.25 -0.53 0.00 0.00 176.83 177.85 3kqz h LEU 210 N -0.04 0.05 -0.75 2.23 5.85 -0.65 -2.39 115.31 119.60 3kqz h LEU 210 Ca -0.12 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3kqz h LEU 210 Cb 1.57 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.59 3kqz h LEU 210 CO 0.16 0.06 0.44 0.58 -0.34 0.00 0.00 178.44 179.34 3kqz h VAL 211 N 0.15 1.22 -0.50 1.05 2.07 -0.12 0.28 116.25 120.40 3kqz h VAL 211 Ca 0.09 -0.49 0.10 0.00 0.82 0.00 0.00 66.70 67.22 3kqz h VAL 211 Cb 0.07 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 29.93 3kqz h VAL 211 CO -0.11 0.23 -0.13 0.74 0.02 0.00 0.00 177.57 178.32 3kqz h THR 212 N 1.03 0.49 -0.71 2.57 2.02 -0.97 0.51 112.91 117.84 3kqz h THR 212 Ca 0.27 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.47 3kqz h THR 212 Cb -0.02 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 3kqz h THR 212 CO -0.05 0.00 0.45 0.24 0.37 0.00 0.00 175.52 176.53 3kqz h MET 213 N -0.01 0.86 -0.56 6.66 2.07 -0.78 -2.52 114.93 120.65 3kqz h MET 213 Ca 0.24 -0.05 -0.04 0.00 -2.07 0.00 0.00 59.70 57.78 3kqz h MET 213 Cb 0.37 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.88 3kqz h MET 213 CO -0.51 0.57 0.20 -0.07 1.07 0.00 0.00 176.91 178.17 3kqz h LEU 214 N 0.89 0.80 -2.15 1.22 3.38 0.12 -2.55 115.31 117.01 3kqz h LEU 214 Ca 0.28 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3kqz h LEU 214 Cb -0.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3kqz h LEU 214 CO -0.10 0.77 -0.06 0.45 0.09 0.00 0.00 178.44 179.58 3kqz h HIS 215 N 0.78 0.00 -0.53 1.13 3.86 0.02 -2.88 115.15 117.53 3kqz h HIS 215 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3kqz h HIS 215 Cb 0.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.71 3kqz h HIS 215 CO 0.01 0.06 0.00 -0.25 0.86 0.00 0.00 177.93 178.62 3kqz n ASP 216 N -3.85 3.60 -3.76 2.45 10.43 -0.96 -4.92 116.55 119.54 3kqz n ASP 216 Ca -0.02 -1.99 -0.16 0.00 2.57 0.00 0.00 54.79 55.19 3kqz n ASP 216 Cb 0.16 -0.34 -0.16 0.00 1.84 0.00 0.00 41.12 42.61 3kqz n ASP 216 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3kqz s ASN 217 N -1.29 0.23 -0.22 -2.24 0.01 -1.07 -5.05 114.94 105.31 3kqz s ASN 217 Ca 0.43 0.04 -0.29 0.00 -0.71 0.00 0.00 52.86 52.32 3kqz s ASN 217 Cb 0.24 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.80 3kqz s ASN 217 CO 0.32 -0.14 1.24 -1.59 -1.51 0.00 0.00 177.10 175.42 3kqz s LYS 218 N 1.20 4.14 -0.08 -0.60 -2.85 -1.26 -4.87 119.74 115.43 3kqz s LYS 218 Ca -0.07 1.49 -0.10 0.00 -1.00 0.00 0.00 55.97 56.29 3kqz s LYS 218 Cb -0.13 -3.78 0.02 0.00 -2.06 0.00 0.00 37.83 31.88 3kqz s LYS 218 CO -0.03 -0.82 0.26 -0.51 0.10 0.00 0.00 175.35 174.35 3kqz s LEU 219 N 3.72 1.02 0.19 2.77 1.43 -1.26 -5.00 118.68 121.54 3kqz s LEU 219 Ca 0.54 0.40 0.23 0.00 -1.03 0.00 0.00 54.13 54.27 3kqz s LEU 219 Cb -0.19 0.94 0.08 0.00 0.03 0.00 0.00 46.19 47.04 3kqz s LEU 219 CO 0.16 -0.17 1.11 0.77 0.23 0.00 0.00 176.35 178.45 3kqz h SER 220 N 5.34 0.00 -4.26 2.29 4.64 -1.94 -3.33 113.55 116.28 3kqz h SER 220 Ca -0.27 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 3kqz h SER 220 Cb 1.19 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.06 3kqz h SER 220 CO 0.35 0.03 -0.10 -0.75 -0.87 0.00 0.00 176.83 175.49 3kqz s LYS 221 N -3.32 0.67 -0.04 4.77 2.20 -1.26 -0.61 119.74 122.16 3kqz s LYS 221 Ca 0.01 0.48 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 3kqz s LYS 221 Cb 0.10 0.32 -0.00 0.00 -1.51 0.00 0.00 37.83 36.74 3kqz s LYS 221 CO 0.77 -0.13 -0.16 -1.17 -0.36 0.00 0.00 175.35 174.30 3kqz s LEU 222 N -0.22 1.92 -0.04 5.43 2.96 -0.86 -1.04 118.68 126.83 3kqz s LEU 222 Ca -0.04 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.59 3kqz s LEU 222 Cb -0.03 -0.91 -0.00 0.00 0.50 0.00 0.00 46.19 45.74 3kqz s LEU 222 CO 0.03 0.15 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.15 3kqz s THR 223 N -0.02 1.41 -0.11 3.68 2.01 0.10 -0.52 115.64 122.19 3kqz s THR 223 Ca -0.02 -0.71 0.03 0.00 0.31 0.00 0.00 61.69 61.29 3kqz s THR 223 Cb -0.10 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 71.19 3kqz s THR 223 CO 0.01 0.41 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.46 3kqz s VAL 224 N -0.00 2.43 -0.18 3.82 1.01 -0.47 -0.35 120.40 126.65 3kqz s VAL 224 Ca -0.03 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 3kqz s VAL 224 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3kqz s VAL 224 CO 0.02 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 174.94 3kqz s VAL 225 N 0.33 3.70 -0.66 2.92 1.01 0.14 -0.66 120.40 127.19 3kqz s VAL 225 Ca -0.16 -0.41 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 3kqz s VAL 225 Cb -0.17 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 33.63 3kqz s VAL 225 CO 0.08 0.46 0.96 -0.36 0.00 0.00 0.00 175.10 176.24 3kqz s PHE 226 N 0.81 2.67 -0.41 5.22 0.40 0.69 -0.84 117.98 126.52 3kqz s PHE 226 Ca -0.01 -0.54 0.05 0.00 -0.60 0.00 0.00 56.93 55.82 3kqz s PHE 226 Cb -0.15 -4.29 0.64 0.00 0.51 0.00 0.00 43.02 39.73 3kqz s PHE 226 CO 0.02 -1.65 1.85 0.39 0.70 0.00 0.00 175.22 176.53 3kqz n GLU 227 N 7.71 2.39 -4.40 0.44 1.02 -0.81 -4.65 120.64 122.34 3kqz n GLU 227 Ca -0.04 -2.83 -0.20 0.00 -0.02 0.00 0.00 57.16 54.07 3kqz n GLU 227 Cb 0.45 -2.11 -0.10 0.00 -0.02 0.00 0.00 31.44 29.66 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 -3.05 1.41 0.01 -3.67 -4.36 -1.23 -4.50 121.20 105.81 3kqz s ILE 228 Ca 0.53 -2.08 -0.13 0.00 -0.26 0.00 0.00 60.65 58.70 3kqz s ILE 228 Cb 0.44 -2.43 -0.06 0.00 1.25 0.00 0.00 42.46 41.67 3kqz s ILE 228 CO 0.11 -0.30 0.40 0.20 0.24 0.00 0.00 174.94 175.59 3kqz s ASN 229 N -3.40 6.76 -0.29 4.36 0.01 -1.26 -5.02 114.94 116.11 3kqz s ASN 229 Ca 0.29 0.92 -0.12 0.00 -0.71 0.00 0.00 52.86 53.24 3kqz s ASN 229 Cb 0.05 -2.23 0.11 0.00 0.41 0.00 0.00 41.25 39.59 3kqz s ASN 229 CO 0.11 0.30 0.65 0.54 -1.51 0.00 0.00 177.10 177.19 3kqz s VAL 230 N -1.14 -0.64 0.38 1.60 0.11 -1.26 -4.60 120.40 114.85 3kqz s VAL 230 Ca 0.25 0.01 -0.15 0.00 -2.93 0.00 0.00 61.98 59.16 3kqz s VAL 230 Cb -0.16 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.62 3kqz s VAL 230 CO 0.14 0.00 0.81 1.51 -3.33 0.00 0.00 175.10 174.23 3kqz s ASP 231 N 2.44 6.74 0.24 3.54 3.84 -1.26 -4.77 116.67 127.44 3kqz s ASP 231 Ca -0.07 1.36 0.01 0.00 -0.00 0.00 0.00 52.55 53.85 3kqz s ASP 231 Cb -0.10 -2.41 0.57 0.00 -1.38 0.00 0.00 42.92 39.61 3kqz s ASP 231 CO -0.19 -0.31 1.19 0.29 -0.00 0.00 0.00 175.17 176.15 3kqz n LYS 232 N -0.71 -0.06 -0.18 2.11 5.02 -1.26 0.85 118.16 123.92 3kqz n LYS 232 Ca 0.04 1.14 -0.05 0.00 -2.02 0.00 0.00 58.31 57.43 3kqz n LYS 232 Cb 0.54 -1.81 0.13 0.00 -0.02 0.00 0.00 35.03 33.86 3kqz n LYS 232 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3kqz h ASN 233 N 0.00 0.90 0.84 4.39 2.35 -1.93 0.56 115.58 122.70 3kqz h ASN 233 Ca 0.46 -0.18 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 3kqz h ASN 233 Cb 0.94 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 3kqz h ASN 233 CO -0.72 0.89 -0.62 0.25 -1.65 0.00 0.00 177.43 175.57 3kqz h LEU 234 N 0.91 0.00 -0.09 1.61 5.85 0.12 0.75 115.31 124.46 3kqz h LEU 234 Ca 0.19 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kqz h LEU 234 Cb 0.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 3kqz h LEU 234 CO 0.00 0.62 0.05 0.15 -0.34 0.00 0.00 178.44 178.92 3kqz h PHE 235 N 0.00 0.13 -0.79 1.25 3.57 -0.41 -0.20 116.94 120.49 3kqz h PHE 235 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 3kqz h PHE 235 Cb 1.22 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 3kqz h PHE 235 CO 0.00 0.19 0.37 -0.09 -2.23 0.00 0.00 178.31 176.55 3kqz h ARG 236 N 0.04 1.14 -0.64 1.11 2.43 -0.53 -1.96 114.38 115.96 3kqz h ARG 236 Ca 0.03 -0.17 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3kqz h ARG 236 Cb 0.10 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3kqz h ARG 236 CO -0.00 0.88 0.40 0.35 -1.51 0.00 0.00 179.97 180.09 3kqz h PHE 237 N 1.13 0.75 -0.62 2.20 3.57 -0.65 0.46 116.94 123.77 3kqz h PHE 237 Ca 0.27 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.85 3kqz h PHE 237 Cb 0.12 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.56 3kqz h PHE 237 CO 0.01 0.43 0.34 0.35 -2.23 0.00 0.00 178.31 177.22 3kqz h PHE 238 N 0.79 0.62 0.26 0.41 3.57 -0.28 -0.40 116.94 121.91 3kqz h PHE 238 Ca 0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 3kqz h PHE 238 Cb 0.01 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3kqz h PHE 238 CO -0.05 0.29 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.13 3kqz h LEU 239 N 0.63 -0.29 -0.40 0.59 4.07 -1.01 -1.14 115.31 117.74 3kqz h LEU 239 Ca 0.28 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 58.12 3kqz h LEU 239 Cb 0.18 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.96 3kqz h LEU 239 CO -0.18 -0.01 0.21 -0.33 -1.08 0.00 0.00 178.44 177.05 3kqz h GLU 240 N -0.59 0.41 -0.00 1.13 5.08 -0.77 0.32 114.58 120.16 3kqz h GLU 240 Ca -0.04 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3kqz h GLU 240 Cb 0.43 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kqz h GLU 240 CO 0.06 0.27 0.00 1.15 -1.00 0.00 0.00 179.01 179.49 3kqz h THR 241 N 0.43 1.05 -0.48 1.13 2.02 -1.09 0.33 112.91 116.29 3kqz h THR 241 Ca 0.17 -0.13 0.07 0.00 0.77 0.00 0.00 66.41 67.29 3kqz h THR 241 Cb 0.06 1.13 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 3kqz h THR 241 CO -0.11 0.03 0.14 0.25 0.37 0.00 0.00 175.52 176.21 3kqz h LEU 242 N -0.05 0.11 -0.25 2.58 5.85 -0.72 0.63 115.31 123.46 3kqz h LEU 242 Ca 0.00 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3kqz h LEU 242 Cb 0.06 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3kqz h LEU 242 CO -0.00 0.09 0.07 -0.26 -0.34 0.00 0.00 178.44 177.99 3kqz h PHE 243 N 0.30 0.41 0.03 1.25 0.04 0.16 -1.37 116.94 117.75 3kqz h PHE 243 Ca 0.23 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.95 3kqz h PHE 243 Cb 0.27 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3kqz h PHE 243 CO -0.18 0.47 -0.02 -0.92 -0.60 0.00 0.00 178.31 177.07 3kqz h TYR 244 N 0.23 -0.04 -0.48 -0.55 3.20 0.22 -1.56 116.97 117.99 3kqz h TYR 244 Ca 0.08 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3kqz h TYR 244 Cb 0.27 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 3kqz h TYR 244 CO 0.01 0.29 0.20 0.93 -1.64 0.00 0.00 178.16 177.95 3kqz h GLU 245 N -0.38 0.68 -0.43 1.82 4.39 0.19 -3.03 114.58 117.82 3kqz h GLU 245 Ca -0.00 -0.09 -0.10 0.00 0.34 0.00 0.00 59.36 59.51 3kqz h GLU 245 Cb 0.35 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3kqz h GLU 245 CO 0.01 0.55 -0.12 -0.92 -1.16 0.00 0.00 179.01 177.37 3kqz h TYR 246 N 0.67 0.96 -3.15 4.33 3.20 -1.13 -3.44 116.97 118.41 3kqz h TYR 246 Ca 0.16 -0.21 -0.53 0.00 3.14 0.00 0.00 58.73 61.30 3kqz h TYR 246 Cb 0.12 -0.23 0.06 0.00 1.54 0.00 0.00 36.73 38.22 3kqz h TYR 246 CO 0.01 0.96 0.86 1.41 -1.64 0.00 0.00 178.16 179.76 3kqz s MET 247 N -4.77 4.19 -0.17 1.82 1.75 -0.60 -4.99 119.30 116.53 3kqz s MET 247 Ca -0.12 2.45 -0.03 0.00 -1.25 0.00 0.00 55.69 56.74 3kqz s MET 247 Cb 0.11 -3.09 -0.02 0.00 2.84 0.00 0.00 34.83 34.68 3kqz s MET 247 CO 0.83 -0.57 -0.07 0.99 -0.65 0.00 0.00 175.02 175.55 3kqz s THR 248 N 0.39 3.46 -0.42 10.11 2.01 -1.26 -4.97 115.64 124.96 3kqz s THR 248 Ca 0.65 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.89 3kqz s THR 248 Cb -0.45 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.56 3kqz s THR 248 CO 0.41 0.48 0.98 -0.62 -0.69 0.00 0.00 174.62 175.18 3kqz s ASP 249 N 0.71 6.63 -0.15 3.53 -1.08 -1.26 -4.90 116.67 120.15 3kqz s ASP 249 Ca -0.03 0.43 0.16 0.00 -0.52 0.00 0.00 52.55 52.59 3kqz s ASP 249 Cb -0.15 -2.48 0.32 0.00 -1.46 0.00 0.00 42.92 39.15 3kqz s ASP 249 CO 0.02 -1.01 1.17 -0.62 0.52 0.00 0.00 175.17 175.25 3kqz n GLU 250 N 7.15 1.32 0.25 4.34 1.02 -1.26 -4.71 120.64 128.75 3kqz n GLU 250 Ca 0.08 -2.75 0.10 0.00 -0.02 0.00 0.00 57.16 54.58 3kqz n GLU 250 Cb 0.48 -1.49 0.67 0.00 -0.02 0.00 0.00 31.44 31.08 3kqz n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kqz h ARG 251 N 0.31 0.00 -0.23 3.49 3.08 -1.97 -2.85 114.38 116.21 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 1.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.07 3kqz h ARG 251 CO 0.00 0.13 0.00 1.19 -1.07 0.00 0.00 179.97 180.22 3kqz n PHE 252 N -3.93 0.29 -2.90 3.04 3.01 -1.26 -4.95 117.46 110.76 3kqz n PHE 252 Ca -0.02 -0.22 -0.35 0.00 1.01 0.00 0.00 57.45 57.87 3kqz n PHE 252 Cb 0.22 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 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 -1.19 4.34 -0.62 -1.08 -0.14 -1.08 -5.26 119.74 114.71 3kqz s LYS 253 Ca 0.25 1.09 0.02 0.00 -1.36 0.00 0.00 55.97 55.97 3kqz s LYS 253 Cb 0.15 -2.59 0.39 0.00 -1.68 0.00 0.00 37.83 34.10 3kqz s LYS 253 CO 0.21 0.20 1.54 -1.13 -0.76 0.00 0.00 175.35 175.41 3kqz n SER 254 N 0.13 6.05 -3.65 2.83 3.41 -1.26 -5.08 113.62 116.05 3kqz n SER 254 Ca 0.03 -3.78 -0.29 0.00 -0.26 0.00 0.00 58.87 54.57 3kqz n SER 254 Cb 0.52 -0.74 -0.15 0.00 -0.26 0.00 0.00 64.21 63.57 3kqz n SER 254 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3kqz s GLU 262 N -3.79 0.45 0.53 4.33 8.01 -1.26 -5.20 118.70 121.78 3kqz s GLU 262 Ca 0.50 -0.67 -0.10 0.00 0.01 0.00 0.00 54.97 54.71 3kqz s GLU 262 Cb 0.42 -1.67 -0.05 0.00 -4.31 0.00 0.00 34.13 28.52 3kqz s GLU 262 CO -0.28 -0.92 0.92 0.71 0.01 0.00 0.00 175.26 175.71 3kqz s TYR 263 N 1.89 3.56 0.85 1.61 2.02 -1.26 -4.65 117.35 121.37 3kqz s TYR 263 Ca 0.07 1.16 -0.12 0.00 -0.37 0.00 0.00 57.07 57.82 3kqz s TYR 263 Cb -0.17 -2.59 0.11 0.00 -0.40 0.00 0.00 41.96 38.92 3kqz s TYR 263 CO -0.26 -0.44 1.17 0.96 -1.57 0.00 0.00 175.55 175.41 3kqz s ILE 264 N -2.85 2.14 -0.33 2.71 -4.36 -1.25 -4.86 121.20 112.40 3kqz s ILE 264 Ca 0.53 0.05 0.10 0.00 -0.26 0.00 0.00 60.65 61.08 3kqz s ILE 264 Cb -0.11 -2.28 -0.13 0.00 1.25 0.00 0.00 42.46 41.19 3kqz s ILE 264 CO 0.44 -0.05 0.37 0.29 0.24 0.00 0.00 174.94 176.23 3kqz n LYS 265 N -3.73 2.52 -3.84 0.37 4.76 0.22 -4.66 118.16 113.79 3kqz n LYS 265 Ca 0.12 -0.03 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 3kqz n LYS 265 Cb 0.51 -1.07 -0.13 0.00 -1.84 0.00 0.00 35.03 32.50 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqz s HIS 266 N -2.22 -0.08 -0.20 2.13 3.76 -1.04 -0.99 115.29 116.64 3kqz s HIS 266 Ca 0.01 0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 3kqz s HIS 266 Cb 0.07 0.03 0.05 0.00 1.11 0.00 0.00 32.58 33.85 3kqz s HIS 266 CO 0.43 -0.04 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.09 3kqz s LEU 267 N 0.04 1.72 -0.04 0.89 2.96 0.86 -2.02 118.68 123.09 3kqz s LEU 267 Ca -0.00 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 52.92 3kqz s LEU 267 Cb -0.01 -0.86 -0.05 0.00 0.50 0.00 0.00 46.19 45.78 3kqz s LEU 267 CO 0.00 -0.25 0.30 -0.83 -1.32 0.00 0.00 176.35 174.25 3kqz s GLY 268 N 1.66 2.34 -0.12 7.98 0.00 0.32 -0.93 107.32 118.57 3kqz s GLY 268 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.29 3kqz s GLY 268 CO -0.07 -0.11 -0.11 0.14 0.00 0.00 0.00 173.10 172.95 3kqz s VAL 269 N -1.10 1.25 -0.22 1.40 1.01 0.02 -1.37 120.40 121.39 3kqz s VAL 269 Ca 0.21 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 3kqz s VAL 269 Cb -0.15 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3kqz s VAL 269 CO 0.11 0.40 0.19 -0.31 0.00 0.00 0.00 175.10 175.49 3kqz s TYR 270 N 1.51 3.37 -0.07 5.22 1.51 0.17 0.70 117.35 129.75 3kqz s TYR 270 Ca 0.03 0.34 -0.15 0.00 -1.01 0.00 0.00 57.07 56.28 3kqz s TYR 270 Cb -0.13 -2.28 0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3kqz s TYR 270 CO -0.08 0.14 0.36 -1.50 -1.11 0.00 0.00 175.55 173.36 3kqz s ILE 271 N 0.82 0.03 0.30 2.71 2.07 -0.48 -0.22 121.20 126.44 3kqz s ILE 271 Ca 0.10 -0.23 -0.29 0.00 -1.41 0.00 0.00 60.65 58.82 3kqz s ILE 271 Cb -0.13 -0.59 -0.10 0.00 0.13 0.00 0.00 42.46 41.77 3kqz s ILE 271 CO 0.03 -0.13 1.26 0.21 -1.91 0.00 0.00 174.94 174.40 3kqz s ASN 272 N -0.62 6.90 -1.22 4.50 2.47 -1.26 -1.84 114.94 123.87 3kqz s ASN 272 Ca -0.07 2.56 -0.00 0.00 0.42 0.00 0.00 52.86 55.77 3kqz s ASN 272 Cb -0.04 -2.64 -0.00 0.00 -1.45 0.00 0.00 41.25 37.12 3kqz s ASN 272 CO 0.03 -0.45 0.93 0.59 -3.72 0.00 0.00 177.10 174.49 3kqz n ASN 273 N 1.11 -1.97 0.15 -4.21 3.02 -1.26 -4.91 115.26 107.20 3kqz n ASN 273 Ca 0.00 -0.66 0.08 0.00 -0.03 0.00 0.00 54.58 53.97 3kqz n ASN 273 Cb 0.43 -4.90 0.57 0.00 -0.61 0.00 0.00 39.78 35.26 3kqz n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqz h ALA 274 N 0.87 1.94 -0.13 5.41 0.00 -1.82 -1.71 119.26 123.83 3kqz h ALA 274 Ca -0.60 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3kqz h ALA 274 Cb 1.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3kqz h ALA 274 CO 0.51 0.04 0.01 -0.44 0.00 0.00 0.00 179.25 179.38 3kqz h ASP 275 N 0.18 0.16 1.12 0.00 3.32 -1.91 -0.79 116.42 118.50 3kqz h ASP 275 Ca 0.07 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3kqz h ASP 275 Cb 0.06 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3kqz h ASP 275 CO -0.01 0.18 -0.01 0.71 -1.72 0.00 0.00 179.24 178.39 3kqz h THR 276 N 0.18 0.02 0.00 0.35 1.35 -1.68 -3.24 112.91 109.88 3kqz h THR 276 Ca 0.04 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 3kqz h THR 276 Cb 0.10 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3kqz h THR 276 CO -0.00 0.01 -1.42 -1.22 -0.25 0.00 0.00 175.52 172.64 3kqz n TYR 277 N -3.10 0.24 -0.13 4.73 4.01 -0.32 -4.45 117.16 118.12 3kqz n TYR 277 Ca 0.01 0.07 0.03 0.00 -0.16 0.00 0.00 57.90 57.85 3kqz n TYR 277 Cb 0.33 -0.49 0.33 0.00 -0.31 0.00 0.00 39.34 39.21 3kqz n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kqz h LYS 278 N 0.00 0.77 -0.15 -0.72 1.57 -1.53 -0.62 116.57 115.89 3kqz h LYS 278 Ca 0.00 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3kqz h LYS 278 Cb 0.85 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3kqz h LYS 278 CO 0.00 0.51 0.15 0.93 -0.57 0.00 0.00 179.45 180.47 3kqz h GLU 279 N 0.79 0.00 0.00 3.15 5.08 -1.81 -2.72 114.58 119.07 3kqz h GLU 279 Ca 0.24 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 3kqz h GLU 279 Cb -0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3kqz h GLU 279 CO -0.06 0.00 -0.41 0.93 -1.00 0.00 0.00 179.01 178.47 3kqz h GLU 280 N 0.00 0.00 0.22 2.33 4.39 -1.40 -3.37 114.58 116.76 3kqz h GLU 280 Ca 0.07 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.78 3kqz h GLU 280 Cb 0.37 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3kqz h GLU 280 CO -0.00 0.41 -0.32 0.28 -1.16 0.00 0.00 179.01 178.22 3kqz h VAL 281 N 0.00 0.33 0.00 3.13 2.07 -1.60 0.27 116.25 120.45 3kqz h VAL 281 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 3kqz h VAL 281 Cb 1.11 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 3kqz h VAL 281 CO 0.05 0.00 -0.44 -0.33 0.02 0.00 0.00 177.57 176.87 3kqz h GLU 282 N -0.61 0.00 -0.01 1.57 4.39 -1.78 -1.26 114.58 116.88 3kqz h GLU 282 Ca 0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3kqz h GLU 282 Cb 0.59 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3kqz h GLU 282 CO -0.12 0.44 0.00 -0.22 -1.16 0.00 0.00 179.01 177.96 3kqz h LYS 283 N 0.00 0.01 -0.95 2.33 3.64 -1.66 -1.83 116.57 118.11 3kqz h LYS 283 Ca -0.00 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.51 3kqz h LYS 283 Cb 1.06 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.79 3kqz h LYS 283 CO 0.06 0.13 0.57 0.00 -2.27 0.00 0.00 179.45 177.94 3kqz h ALA 284 N 0.88 1.46 -0.55 5.00 0.00 0.04 0.55 119.26 126.64 3kqz h ALA 284 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3kqz h ALA 284 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kqz h ALA 284 CO -0.00 0.10 -0.03 -0.09 0.00 0.00 0.00 179.25 179.23 3kqz h ARG 285 N 0.86 0.96 0.09 0.00 2.43 -0.96 0.31 114.38 118.08 3kqz h ARG 285 Ca 0.50 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3kqz h ARG 285 Cb 0.59 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3kqz h ARG 285 CO -0.30 0.96 -0.05 0.28 -1.51 0.00 0.00 179.97 179.35 3kqz h VAL 286 N 0.88 1.01 -0.87 0.20 2.07 -0.60 -2.41 116.25 116.53 3kqz h VAL 286 Ca 0.16 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.33 3kqz h VAL 286 Cb 0.55 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 3kqz h VAL 286 CO 0.03 0.09 0.57 1.88 0.02 0.00 0.00 177.57 180.17 3kqz h TYR 287 N -0.30 1.04 -0.59 1.57 -1.99 -0.70 -0.68 116.97 115.32 3kqz h TYR 287 Ca -0.01 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.79 3kqz h TYR 287 Cb 0.25 -0.35 -0.05 0.00 2.00 0.00 0.00 36.73 38.59 3kqz h TYR 287 CO -0.02 0.60 0.33 -0.92 -0.00 0.00 0.00 178.16 178.15 3kqz h TYR 288 N 1.07 0.61 -0.00 4.88 3.20 -0.32 -1.82 116.97 124.58 3kqz h TYR 288 Ca 0.35 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 62.03 3kqz h TYR 288 Cb 0.06 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3kqz h TYR 288 CO -0.00 0.31 -0.91 0.35 -1.64 0.00 0.00 178.16 176.27 3kqz h PHE 289 N 0.63 0.51 -0.71 -3.82 3.57 -0.73 0.16 116.94 116.55 3kqz h PHE 289 Ca 0.26 -0.27 0.06 0.00 3.53 0.00 0.00 57.97 61.54 3kqz h PHE 289 Cb 0.12 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 3kqz h PHE 289 CO -0.08 1.09 0.41 0.78 -2.23 0.00 0.00 178.31 178.28 3kqz h GLY 290 N 1.42 1.05 1.19 2.40 0.00 -0.91 0.60 103.07 108.84 3kqz h GLY 290 Ca -0.06 -0.29 -0.22 0.00 0.00 0.00 0.00 47.33 46.75 3kqz h GLY 290 CO 0.15 0.19 -0.77 -0.84 0.00 0.00 0.00 176.54 175.27 3kqz h THR 291 N 0.76 1.28 -0.44 4.70 2.02 -1.06 -0.74 112.91 119.43 3kqz h THR 291 Ca 0.32 -1.97 -0.14 0.00 0.77 0.00 0.00 66.41 65.39 3kqz h THR 291 Cb 0.17 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 3kqz h THR 291 CO -0.17 0.63 -0.26 0.22 0.37 0.00 0.00 175.52 176.30 3kqz h TYR 292 N 0.54 1.11 -0.52 3.16 3.20 -0.42 -1.04 116.97 123.01 3kqz h TYR 292 Ca -0.05 -0.29 0.03 0.00 3.14 0.00 0.00 58.73 61.55 3kqz h TYR 292 Cb 1.40 -0.25 -0.04 0.00 1.54 0.00 0.00 36.73 39.38 3kqz h TYR 292 CO 0.09 1.11 0.31 -0.92 -1.64 0.00 0.00 178.16 177.10 3kqz h TYR 293 N 0.80 0.57 0.05 -3.82 3.20 0.39 0.13 116.97 118.29 3kqz h TYR 293 Ca 0.09 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 3kqz h TYR 293 Cb 0.84 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.93 3kqz h TYR 293 CO 0.06 0.32 -0.03 0.00 -1.64 0.00 0.00 178.16 176.88 3kqz h ALA 294 N 1.24 -0.07 -0.77 1.82 0.00 -0.93 -1.94 119.26 118.61 3kqz h ALA 294 Ca 0.21 -0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.25 3kqz h ALA 294 Cb 0.03 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.72 3kqz h ALA 294 CO -0.10 -0.50 0.09 1.03 0.00 0.00 0.00 179.25 179.77 3kqz h SER 295 N -0.15 -0.20 -0.79 0.00 0.87 -0.92 0.14 113.55 112.50 3kqz h SER 295 Ca -0.01 0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 3kqz h SER 295 Cb 0.13 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 3kqz h SER 295 CO 0.01 -0.14 0.52 1.56 -0.53 0.00 0.00 176.83 178.25 3kqz h GLN 296 N 0.16 0.95 0.00 2.24 4.20 -0.02 0.70 115.11 123.35 3kqz h GLN 296 Ca 0.44 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.87 3kqz h GLN 296 Cb 0.79 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 3kqz h GLN 296 CO -0.63 0.63 -1.07 -0.07 -0.67 0.00 0.00 178.83 177.02 3kqz h LEU 297 N 0.98 0.00 -0.00 1.46 3.38 -0.22 -2.34 115.31 118.57 3kqz h LEU 297 Ca 0.31 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.17 3kqz h LEU 297 Cb 0.01 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 3kqz h LEU 297 CO -0.09 1.00 -0.41 0.40 0.09 0.00 0.00 178.44 179.43 3kqz h ILE 298 N 0.00 1.49 -0.19 1.22 2.04 -0.06 -3.27 117.51 118.74 3kqz h ILE 298 Ca -0.04 -2.02 -0.09 0.00 1.00 0.00 0.00 64.86 63.72 3kqz h ILE 298 Cb 1.80 2.70 -0.01 0.00 -0.74 0.00 0.00 36.82 40.56 3kqz h ILE 298 CO 0.12 0.57 -0.26 0.00 0.00 0.00 0.00 178.15 178.58 3kqz h ALA 299 N 0.28 1.19 -1.63 1.87 0.00 0.32 -3.41 119.26 117.89 3kqz h ALA 299 Ca -0.05 -0.33 -0.71 0.00 0.00 0.00 0.00 54.91 53.82 3kqz h ALA 299 Cb 1.15 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.86 3kqz h ALA 299 CO 0.08 0.52 0.74 0.00 0.00 0.00 0.00 179.25 180.59 3kqz n ALA 300 N -2.48 -0.42 -1.19 0.00 0.00 -0.88 -4.93 120.51 110.61 3kqz n ALA 300 Ca -0.01 0.43 -0.30 0.00 0.00 0.00 0.00 53.44 53.57 3kqz n ALA 300 Cb 0.39 -2.18 0.14 0.00 0.00 0.00 0.00 19.45 17.80 3kqz n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kqz s PRO 301 N 2.38 1.13 0.52 0.00 0.02 -1.26 -4.60 135.00 133.18 3kqz s PRO 301 Ca 0.93 0.79 0.29 0.00 0.02 0.00 0.00 61.00 63.03 3kqz s PRO 301 Cb -1.01 -1.80 1.39 0.00 0.02 0.00 0.00 34.50 33.10 3kqz s PRO 301 CO 0.58 -2.32 2.02 0.77 -0.33 0.00 0.00 177.00 177.71 3kqz h SER 302 N -1.61 0.00 -0.01 2.53 0.02 -1.82 0.24 113.55 112.90 3kqz h SER 302 Ca -0.50 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.33 3kqz h SER 302 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3kqz h SER 302 CO 0.55 0.12 -0.34 -0.55 -1.14 0.00 0.00 176.83 175.46 3kqz h ASN 303 N 0.00 0.51 0.14 3.07 -1.07 -1.94 -3.28 115.58 113.01 3kqz h ASN 303 Ca -0.00 -0.20 -0.25 0.00 0.07 0.00 0.00 56.30 55.92 3kqz h ASN 303 Cb 0.44 -0.14 0.01 0.00 -2.07 0.00 0.00 38.32 36.56 3kqz h ASN 303 CO 0.02 0.81 -1.20 1.88 0.07 0.00 0.00 177.43 179.01 3kqz h TYR 304 N 0.42 0.53 -3.24 4.14 0.05 -1.59 -3.41 116.97 113.87 3kqz h TYR 304 Ca 0.05 -0.39 -0.73 0.00 0.05 0.00 0.00 58.73 57.71 3kqz h TYR 304 Cb 0.80 -0.02 -0.28 0.00 1.01 0.00 0.00 36.73 38.23 3kqz h TYR 304 CO 0.03 1.46 -0.35 0.00 -1.05 0.00 0.00 178.16 178.25 3kqz s ASN 306 N 2.91 2.95 0.45 0.00 2.20 -1.25 -4.39 114.94 117.82 3kqz s ASN 306 Ca 0.05 -1.60 0.14 0.00 -0.94 0.00 0.00 52.86 50.51 3kqz s ASN 306 Cb -0.27 0.35 1.07 0.00 -2.00 0.00 0.00 41.25 40.40 3kqz s ASN 306 CO 0.00 -0.83 2.03 -0.65 -2.94 0.00 0.00 177.10 174.71 3kqz h PRO 307 N 1.79 0.32 0.00 3.55 0.11 -1.86 -0.35 132.00 135.55 3kqz h PRO 307 Ca -0.38 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 3kqz h PRO 307 Cb 1.27 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kqz h PRO 307 CO 0.63 0.21 -0.29 0.28 -0.21 0.00 0.00 178.00 178.62 3kqz h VAL 308 N 0.33 1.54 -0.34 3.15 2.07 -1.93 -2.76 116.25 118.32 3kqz h VAL 308 Ca 0.20 -1.98 -0.13 0.00 0.82 0.00 0.00 66.70 65.61 3kqz h VAL 308 Cb 0.37 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 3kqz h VAL 308 CO -0.05 0.55 -0.30 0.77 0.02 0.00 0.00 177.57 178.56 3kqz h SER 309 N -0.47 0.74 0.10 0.57 4.64 -1.74 -0.28 113.55 117.11 3kqz h SER 309 Ca -0.04 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3kqz h SER 309 Cb 1.05 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 3kqz h SER 309 CO 0.06 0.99 -0.09 0.25 -0.87 0.00 0.00 176.83 177.17 3kqz h LEU 310 N 0.61 -0.23 -0.54 5.97 6.46 -1.18 0.18 115.31 126.57 3kqz h LEU 310 Ca 0.07 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 3kqz h LEU 310 Cb 0.82 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.80 3kqz h LEU 310 CO 0.07 -0.14 0.31 0.77 -0.62 0.00 0.00 178.44 178.83 3kqz h SER 311 N -0.20 0.67 -0.83 1.25 4.64 -1.31 0.36 113.55 118.12 3kqz h SER 311 Ca 0.00 -0.08 0.02 0.00 -0.47 0.00 0.00 61.79 61.26 3kqz h SER 311 Cb 0.19 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 3kqz h SER 311 CO -0.02 0.55 0.55 0.78 -0.87 0.00 0.00 176.83 177.82 3kqz h ASN 312 N 0.73 0.94 -0.81 4.97 2.35 -0.84 0.26 115.58 123.18 3kqz h ASN 312 Ca 0.19 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3kqz h ASN 312 Cb 0.02 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 3kqz h ASN 312 CO -0.03 0.67 0.53 0.00 -1.65 0.00 0.00 177.43 176.95 3kqz h ALA 313 N 1.32 1.04 -0.09 -0.83 0.00 -0.01 -1.32 119.26 119.38 3kqz h ALA 313 Ca 0.31 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3kqz h ALA 313 Cb -0.09 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3kqz h ALA 313 CO -0.08 0.40 -0.12 0.00 0.00 0.00 0.00 179.25 179.45 3kqz h ALA 314 N 1.31 1.63 -0.01 0.00 0.00 0.45 0.16 119.26 122.81 3kqz h ALA 314 Ca 0.31 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3kqz h ALA 314 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kqz h ALA 314 CO -0.08 0.27 -0.19 0.28 0.00 0.00 0.00 179.25 179.53 3kqz h VAL 315 N 0.13 1.54 -0.66 0.00 2.07 -0.23 -0.06 116.25 119.03 3kqz h VAL 315 Ca 0.03 -1.84 0.13 0.00 0.82 0.00 0.00 66.70 65.83 3kqz h VAL 315 Cb 0.30 2.69 -0.09 0.00 -1.52 0.00 0.00 31.29 32.67 3kqz h VAL 315 CO 0.02 0.50 0.18 -0.08 0.02 0.00 0.00 177.57 178.21 3kqz h GLU 316 N -0.51 0.31 -0.33 1.57 4.81 -1.10 0.10 114.58 119.43 3kqz h GLU 316 Ca -0.02 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3kqz h GLU 316 Cb 0.92 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.20 3kqz h GLU 316 CO 0.04 0.20 0.17 1.25 -0.73 0.00 0.00 179.01 179.94 3kqz h LEU 317 N 0.32 0.25 -0.75 1.64 5.85 -0.76 0.27 115.31 122.12 3kqz h LEU 317 Ca 0.36 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.04 3kqz h LEU 317 Cb 0.54 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 3kqz h LEU 317 CO -0.42 0.19 0.27 0.00 -0.34 0.00 0.00 178.44 178.14 3kqz h ALA 318 N 1.17 0.98 -0.68 1.25 0.00 0.05 -2.23 119.26 119.80 3kqz h ALA 318 Ca 0.14 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3kqz h ALA 318 Cb 0.05 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 3kqz h ALA 318 CO -0.09 0.63 0.15 1.96 0.00 0.00 0.00 179.25 181.89 3kqz h GLN 319 N 1.10 1.09 0.00 0.00 4.20 -0.45 0.17 115.11 121.23 3kqz h GLN 319 Ca 0.25 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3kqz h GLN 319 Cb 0.26 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3kqz h GLN 319 CO -0.01 0.98 -0.12 0.87 -0.67 0.00 0.00 178.83 179.87 3kqz h LYS 320 N 1.02 0.00 -0.01 1.46 1.57 -0.38 -2.95 116.57 117.28 3kqz h LYS 320 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3kqz h LYS 320 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3kqz h LYS 320 CO 0.01 0.12 -0.09 1.28 -0.57 0.00 0.00 179.45 180.20 3kqz n LEU 321 N -3.74 1.50 -3.12 2.94 4.77 -0.90 -5.00 117.00 113.45 3kqz n LEU 321 Ca -0.02 -0.89 -0.22 0.00 -0.03 0.00 0.00 56.01 54.85 3kqz n LEU 321 Cb 0.23 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3kqz n LEU 321 CO 0.31 0.30 0.08 0.59 -1.33 0.00 0.00 177.39 177.33 3kqz n ASN 322 N 0.16 -6.12 -4.86 -1.43 3.02 0.46 -4.94 115.26 101.55 3kqz n ASN 322 Ca 0.05 -0.36 -0.32 0.00 -0.03 0.00 0.00 54.58 53.92 3kqz n ASN 322 Cb 0.22 -4.87 -0.05 0.00 -0.61 0.00 0.00 39.78 34.47 3kqz n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kqz s LEU 323 N -6.72 4.02 0.49 3.41 1.43 -0.34 -4.99 118.68 115.98 3kqz s LEU 323 Ca 0.39 1.15 -0.21 0.00 -1.03 0.00 0.00 54.13 54.42 3kqz s LEU 323 Cb -0.17 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.01 3kqz s LEU 323 CO 0.48 -0.23 1.11 -1.61 0.23 0.00 0.00 176.35 176.33 3kqz s GLU 324 N -3.21 3.67 0.05 1.70 2.02 -1.01 -4.56 118.70 117.35 3kqz s GLU 324 Ca 0.52 1.60 -0.06 0.00 0.02 0.00 0.00 54.97 57.05 3kqz s GLU 324 Cb -0.10 -2.22 -0.01 0.00 0.10 0.00 0.00 34.13 31.90 3kqz s GLU 324 CO 0.22 -0.59 0.10 1.52 0.02 0.00 0.00 175.26 176.54 3kqz s TYR 325 N -1.73 0.21 -0.20 1.61 -0.85 -1.26 -0.62 117.35 114.52 3kqz s TYR 325 Ca 0.67 -0.55 -0.09 0.00 -0.52 0.00 0.00 57.07 56.58 3kqz s TYR 325 Cb -0.24 -0.15 0.08 0.00 0.38 0.00 0.00 41.96 42.04 3kqz s TYR 325 CO 0.28 -0.39 0.44 0.21 -1.52 0.00 0.00 175.55 174.57 3kqz s LYS 326 N -2.88 0.39 -0.26 -3.49 2.20 -0.06 -4.99 119.74 110.65 3kqz s LYS 326 Ca -0.03 0.96 -0.07 0.00 -0.36 0.00 0.00 55.97 56.48 3kqz s LYS 326 Cb 0.00 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 3kqz s LYS 326 CO -0.06 -0.20 0.07 0.42 -0.36 0.00 0.00 175.35 175.22 3kqz s ILE 327 N 2.03 4.18 -0.27 5.43 -1.09 -1.26 -1.75 121.20 128.47 3kqz s ILE 327 Ca -0.06 -0.32 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 3kqz s ILE 327 Cb -0.10 -3.00 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 3kqz s ILE 327 CO -0.14 0.28 0.48 -0.76 -1.23 0.00 0.00 174.94 173.57 3kqz s LEU 328 N 1.58 4.06 0.00 2.97 1.02 -0.40 -4.89 118.68 123.02 3kqz s LEU 328 Ca 0.05 0.44 0.01 0.00 0.02 0.00 0.00 54.13 54.66 3kqz s LEU 328 Cb -0.16 -2.59 0.13 0.00 0.02 0.00 0.00 46.19 43.59 3kqz s LEU 328 CO 0.03 -0.26 0.89 0.61 0.02 0.00 0.00 176.35 177.64 3kqz n GLY 329 N 4.49 0.89 0.30 -3.19 0.00 -1.26 -0.87 105.19 105.56 3kqz n GLY 329 Ca -0.05 -2.06 0.03 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.47 0.91 0.14 1.61 2.07 -1.96 -0.89 116.25 117.66 3kqz h VAL 330 Ca -0.30 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 66.97 3kqz h VAL 330 Cb 1.13 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3kqz h VAL 330 CO 0.33 0.14 -0.33 0.11 0.02 0.00 0.00 177.57 177.85 3kqz h LYS 331 N 0.79 -0.54 -0.86 1.57 6.56 -1.95 0.20 116.57 122.33 3kqz h LYS 331 Ca 0.39 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 60.02 3kqz h LYS 331 Cb 0.35 0.12 -0.04 0.00 -0.57 0.00 0.00 32.23 32.09 3kqz h LYS 331 CO -0.24 -0.36 0.55 0.93 -2.06 0.00 0.00 179.45 178.26 3kqz h GLU 332 N -0.56 1.15 -0.66 3.15 3.07 -1.76 0.05 114.58 119.02 3kqz h GLU 332 Ca 0.03 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 3kqz h GLU 332 Cb 0.59 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.21 3kqz h GLU 332 CO -0.18 0.79 0.34 -0.07 -1.40 0.00 0.00 179.01 178.48 3kqz h LEU 333 N 1.18 0.85 -0.75 1.33 3.38 -0.78 -0.12 115.31 120.40 3kqz h LEU 333 Ca 0.31 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3kqz h LEU 333 Cb -0.10 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3kqz h LEU 333 CO -0.06 0.72 0.49 -0.33 0.09 0.00 0.00 178.44 179.35 3kqz h GLU 334 N 0.91 0.97 -0.57 1.13 5.08 0.03 -2.17 114.58 119.96 3kqz h GLU 334 Ca 0.23 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3kqz h GLU 334 Cb 0.08 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3kqz h GLU 334 CO -0.03 0.64 0.14 0.93 -1.00 0.00 0.00 179.01 179.68 3kqz h GLU 335 N 1.00 0.88 0.00 2.33 5.08 -0.49 -2.32 114.58 121.06 3kqz h GLU 335 Ca 0.28 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3kqz h GLU 335 Cb -0.10 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.02 3kqz h GLU 335 CO -0.07 0.79 0.00 1.28 -1.00 0.00 0.00 179.01 180.02 3kqz n LEU 336 N -4.26 0.00 -2.25 1.33 4.77 -0.10 -4.89 117.00 111.60 3kqz n LEU 336 Ca 0.04 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.81 3kqz n LEU 336 Cb 0.23 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 3kqz n LEU 336 CO 0.40 0.00 -0.26 0.29 -1.33 0.00 0.00 177.39 176.50 3kqz n LYS 337 N -0.77 -1.63 -1.36 3.23 4.76 -0.87 -4.70 118.16 116.82 3kqz n LYS 337 Ca 0.12 1.05 -0.42 0.00 -2.87 0.00 0.00 58.31 56.19 3kqz n LYS 337 Cb 0.06 -5.67 -0.03 0.00 -1.84 0.00 0.00 35.03 27.54 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 3kqz n MET 338 N -2.90 2.07 0.15 1.97 2.81 -0.89 -2.94 117.12 117.38 3kqz n MET 338 Ca -0.24 -2.13 0.03 0.00 -1.81 0.00 0.00 57.70 53.55 3kqz n MET 338 Cb 0.69 -3.04 0.09 0.00 -0.71 0.00 0.00 33.22 30.25 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 12.06 0.00 0.51 3.03 0.00 -1.77 -0.99 103.07 115.91 3kqz h GLY 339 Ca 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 3kqz h GLY 339 CO 1.92 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 178.34 3kqz h ALA 340 N 1.51 -0.33 -0.40 3.60 0.00 -1.83 -1.94 119.26 119.87 3kqz h ALA 340 Ca -0.00 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kqz h ALA 340 Cb 1.29 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 3kqz h ALA 340 CO 0.06 -0.44 -0.04 -0.92 0.00 0.00 0.00 179.25 177.92 3kqz h TYR 341 N -0.82 -0.09 -0.01 0.00 3.20 -1.61 -2.61 116.97 115.02 3kqz h TYR 341 Ca -0.03 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3kqz h TYR 341 Cb 0.51 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3kqz h TYR 341 CO 0.05 -0.11 -0.25 -0.07 -1.64 0.00 0.00 178.16 176.14 3kqz h LEU 342 N 0.07 0.01 -0.06 2.82 3.38 -1.22 -2.80 115.31 117.51 3kqz h LEU 342 Ca 0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kqz h LEU 342 Cb 0.29 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3kqz h LEU 342 CO -0.36 0.26 0.03 0.28 0.09 0.00 0.00 178.44 178.74 3kqz h SER 343 N 0.01 0.09 -0.72 -0.43 0.02 -0.99 -1.99 113.55 109.55 3kqz h SER 343 Ca -0.00 -0.16 0.16 0.00 -0.84 0.00 0.00 61.79 60.95 3kqz h SER 343 Cb 0.44 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 62.85 3kqz h SER 343 CO 0.03 0.22 0.11 0.58 -1.14 0.00 0.00 176.83 176.64 3kqz h VAL 344 N -0.05 0.47 -0.00 2.27 2.07 -1.23 -2.41 116.25 117.36 3kqz h VAL 344 Ca 0.02 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kqz h VAL 344 Cb 0.16 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3kqz h VAL 344 CO -0.00 0.04 -0.04 0.61 0.02 0.00 0.00 177.57 178.20 3kqz n GLY 345 N -1.37 -0.91 0.29 2.17 0.00 -1.06 -4.31 105.19 100.00 3kqz n GLY 345 Ca 0.13 -0.24 0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 0.50 0.33 -0.03 1.61 1.57 -0.83 -1.90 116.57 117.82 3kqz h LYS 346 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kqz h LYS 346 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3kqz h LYS 346 CO 0.00 0.22 0.00 0.41 -0.57 0.00 0.00 179.45 179.51 3kqz n GLY 347 N -1.35 -0.70 3.86 3.86 0.00 -1.25 -4.63 105.19 104.99 3kqz n GLY 347 Ca 0.17 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.76 6.70 0.03 1.61 0.15 -0.72 -4.59 113.70 115.11 3kqz s SER 348 Ca 0.36 1.09 0.23 0.00 0.70 0.00 0.00 55.95 58.33 3kqz s SER 348 Cb 0.17 -2.30 0.95 0.00 -1.71 0.00 0.00 66.02 63.14 3kqz s SER 348 CO 0.29 -0.14 1.72 1.15 1.20 0.00 0.00 173.24 177.46 3kqz n MET 349 N -0.25 0.03 -3.81 5.44 0.00 -1.26 -4.73 117.12 112.53 3kqz n MET 349 Ca 0.02 0.13 -0.36 0.00 0.00 0.00 0.00 57.70 57.49 3kqz n MET 349 Cb 0.53 -1.54 -0.13 0.00 0.00 0.00 0.00 33.22 32.08 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 -3.02 3.07 0.42 3.17 1.51 -1.26 -4.89 117.35 116.35 3kqz s TYR 350 Ca 0.10 -0.45 -0.26 0.00 -1.01 0.00 0.00 57.07 55.45 3kqz s TYR 350 Cb 0.14 -2.20 -0.10 0.00 -0.11 0.00 0.00 41.96 39.69 3kqz s TYR 350 CO 0.42 -0.34 1.39 -2.30 -1.11 0.00 0.00 175.55 173.60 3kqz n PRO 351 N 4.79 2.25 -1.74 -1.71 -0.02 -1.26 -4.71 135.00 132.60 3kqz n PRO 351 Ca -0.16 0.80 -0.41 0.00 -2.02 0.00 0.00 63.50 61.70 3kqz n PRO 351 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.15 3.21 -3.80 2.55 4.13 -1.26 -4.53 115.26 115.70 3kqz n ASN 352 Ca 0.05 1.19 -0.20 0.00 1.68 0.00 0.00 54.58 57.29 3kqz n ASN 352 Cb 0.40 -1.56 -0.17 0.00 -1.54 0.00 0.00 39.78 36.91 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 -2.09 0.51 -0.31 3.52 -0.14 -0.90 -3.85 119.74 116.48 3kqz s LYS 353 Ca 0.56 0.07 -0.10 0.00 -1.36 0.00 0.00 55.97 55.15 3kqz s LYS 353 Cb -0.51 -0.76 -0.01 0.00 -1.68 0.00 0.00 37.83 34.88 3kqz s LYS 353 CO 0.62 -0.21 0.16 0.12 -0.76 0.00 0.00 175.35 175.28 3kqz s PHE 354 N 1.47 3.18 -0.10 3.18 2.19 -0.05 -1.28 117.98 126.58 3kqz s PHE 354 Ca -0.03 -0.56 -0.22 0.00 0.33 0.00 0.00 56.93 56.46 3kqz s PHE 354 Cb -0.13 -2.36 -0.04 0.00 -1.31 0.00 0.00 43.02 39.18 3kqz s PHE 354 CO -0.03 -0.45 0.64 0.42 1.83 0.00 0.00 175.22 177.63 3kqz s ILE 355 N 1.62 5.07 -0.29 3.12 1.01 -0.75 -1.27 121.20 129.72 3kqz s ILE 355 Ca 0.05 1.29 -0.02 0.00 0.00 0.00 0.00 60.65 61.97 3kqz s ILE 355 Cb -0.17 -3.97 0.09 0.00 0.01 0.00 0.00 42.46 38.42 3kqz s ILE 355 CO 0.06 0.24 0.10 -2.28 0.00 0.00 0.00 174.94 173.06 3kqz s HIS 356 N 0.97 1.14 0.03 3.97 2.46 -0.72 -0.50 115.29 122.64 3kqz s HIS 356 Ca 0.33 -1.32 0.04 0.00 0.47 0.00 0.00 55.06 54.59 3kqz s HIS 356 Cb -0.17 -1.34 -0.03 0.00 -0.13 0.00 0.00 32.58 30.91 3kqz s HIS 356 CO 0.15 -0.82 -0.08 -0.51 -2.47 0.00 0.00 174.74 171.01 3kqz s LEU 357 N 1.81 3.10 -0.06 8.88 1.02 -1.07 -0.88 118.68 131.48 3kqz s LEU 357 Ca 0.08 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.04 3kqz s LEU 357 Cb -0.17 -1.80 0.02 0.00 0.02 0.00 0.00 46.19 44.26 3kqz s LEU 357 CO -0.26 0.26 -0.10 -0.89 0.02 0.00 0.00 176.35 175.38 3kqz s THR 358 N -1.03 0.98 -0.25 5.49 2.01 0.21 0.38 115.64 123.43 3kqz s THR 358 Ca 0.18 -0.38 -0.06 0.00 0.31 0.00 0.00 61.69 61.73 3kqz s THR 358 Cb -0.11 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.46 3kqz s THR 358 CO 0.09 0.32 0.05 -0.47 -0.69 0.00 0.00 174.62 173.91 3kqz s TYR 359 N 0.79 3.06 -0.16 4.92 5.04 0.18 -2.40 117.35 128.79 3kqz s TYR 359 Ca -0.13 -0.62 -0.01 0.00 -2.44 0.00 0.00 57.07 53.87 3kqz s TYR 359 Cb -0.15 -2.21 -0.01 0.00 0.35 0.00 0.00 41.96 39.94 3kqz s TYR 359 CO 0.02 -0.44 -0.12 0.21 -1.34 0.00 0.00 175.55 173.88 3kqz s LYS 360 N 1.57 3.31 0.69 4.97 2.20 -1.26 -0.72 119.74 130.49 3kqz s LYS 360 Ca 0.06 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 54.80 3kqz s LYS 360 Cb -0.15 -2.70 0.01 0.00 -1.51 0.00 0.00 37.83 33.48 3kqz s LYS 360 CO 0.02 0.05 1.24 -1.12 -0.36 0.00 0.00 175.35 175.18 3kqz s SER 361 N 0.76 4.43 0.19 1.43 0.01 -0.67 -4.96 113.70 114.89 3kqz s SER 361 Ca -0.05 2.47 -0.13 0.00 1.31 0.00 0.00 55.95 59.56 3kqz s SER 361 Cb -0.15 -2.60 0.10 0.00 0.21 0.00 0.00 66.02 63.57 3kqz s SER 361 CO 0.01 -2.11 1.85 0.07 0.41 0.00 0.00 173.24 173.47 3kqz h LYS 362 N 0.15 0.82 0.00 12.44 -0.00 -1.91 -3.45 116.57 124.61 3kqz h LYS 362 Ca -0.49 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.10 3kqz h LYS 362 Cb 1.31 -0.18 0.00 0.00 -0.00 0.00 0.00 32.23 33.36 3kqz h LYS 362 CO 0.51 0.56 0.00 0.41 -0.00 0.00 0.00 179.45 180.93 3kqz n GLY 363 N -1.23 0.39 3.85 0.07 0.00 -1.26 -5.01 105.19 101.99 3kqz n GLY 363 Ca 0.05 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 3kqz n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqz s ASP 364 N -1.12 6.80 -0.41 1.61 1.11 -1.26 -4.98 116.67 118.43 3kqz s ASP 364 Ca 0.00 1.03 -0.18 0.00 0.18 0.00 0.00 52.55 53.59 3kqz s ASP 364 Cb 0.00 -2.27 0.02 0.00 1.07 0.00 0.00 42.92 41.73 3kqz s ASP 364 CO 0.00 0.13 0.48 -0.69 1.18 0.00 0.00 175.17 176.27 3kqz s VAL 365 N -1.42 5.04 -0.14 -1.27 1.01 -1.26 -3.71 120.40 118.64 3kqz s VAL 365 Ca 0.36 -0.15 0.17 0.00 0.00 0.00 0.00 61.98 62.36 3kqz s VAL 365 Cb -0.15 -4.04 -0.24 0.00 0.00 0.00 0.00 36.38 31.95 3kqz s VAL 365 CO 0.19 -0.40 0.30 0.29 0.00 0.00 0.00 175.10 175.48 3kqz n LYS 366 N 5.72 0.67 -4.33 2.72 5.02 0.11 -4.92 118.16 123.15 3kqz n LYS 366 Ca -0.06 0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 3kqz n LYS 366 Cb 0.48 -1.61 -0.16 0.00 -0.02 0.00 0.00 35.03 33.73 3kqz n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kqz s LYS 367 N -2.64 0.93 -0.16 1.97 2.47 -0.95 -5.04 119.74 116.31 3kqz s LYS 367 Ca -0.08 -0.25 -0.01 0.00 -1.56 0.00 0.00 55.97 54.07 3kqz s LYS 367 Cb 0.07 -0.87 -0.01 0.00 -1.46 0.00 0.00 37.83 35.56 3kqz s LYS 367 CO 0.83 0.06 -0.11 0.15 0.16 0.00 0.00 175.35 176.44 3kqz s LYS 368 N 0.37 3.34 0.01 4.03 1.02 -1.26 -0.24 119.74 127.01 3kqz s LYS 368 Ca -0.06 -0.69 0.04 0.00 0.02 0.00 0.00 55.97 55.29 3kqz s LYS 368 Cb -0.10 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3kqz s LYS 368 CO 0.01 0.05 -0.12 0.42 -0.92 0.00 0.00 175.35 174.78 3kqz s ILE 369 N 0.78 0.93 -0.23 2.17 1.01 0.75 0.23 121.20 126.84 3kqz s ILE 369 Ca -0.04 -0.65 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3kqz s ILE 369 Cb -0.15 -0.81 0.03 0.00 0.01 0.00 0.00 42.46 41.54 3kqz s ILE 369 CO 0.01 0.15 -0.10 0.00 0.00 0.00 0.00 174.94 175.00 3kqz s ALA 370 N -0.48 2.60 -0.25 9.38 0.00 -0.23 0.05 121.76 132.82 3kqz s ALA 370 Ca 0.03 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 50.44 3kqz s ALA 370 Cb -0.06 -1.55 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3kqz s ALA 370 CO 0.00 -0.71 0.30 -0.51 0.00 0.00 0.00 175.76 174.84 3kqz s LEU 371 N 1.30 4.07 -0.17 0.00 1.43 0.10 -0.30 118.68 125.11 3kqz s LEU 371 Ca 0.01 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3kqz s LEU 371 Cb -0.16 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.76 3kqz s LEU 371 CO -0.07 -0.09 -0.17 -0.69 0.23 0.00 0.00 176.35 175.56 3kqz s VAL 372 N 1.70 1.84 -0.11 -1.59 1.01 0.35 -0.41 120.40 123.18 3kqz s VAL 372 Ca 0.13 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3kqz s VAL 372 Cb -0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3kqz s VAL 372 CO 0.09 0.49 -0.07 -0.83 0.00 0.00 0.00 175.10 174.78 3kqz s GLY 373 N 1.38 1.68 0.18 4.51 0.00 -0.63 -0.33 107.32 114.10 3kqz s GLY 373 Ca 0.05 -0.87 -0.31 0.00 0.00 0.00 0.00 44.72 43.59 3kqz s GLY 373 CO -0.12 -0.40 1.42 1.25 0.00 0.00 0.00 173.10 175.25 3kqz s LYS 374 N -0.26 4.30 -0.48 2.90 2.20 -0.56 -4.07 119.74 123.77 3kqz s LYS 374 Ca 0.04 2.19 0.08 0.00 -0.36 0.00 0.00 55.97 57.92 3kqz s LYS 374 Cb -0.13 -3.18 0.33 0.00 -1.51 0.00 0.00 37.83 33.34 3kqz s LYS 374 CO 0.03 -0.42 0.81 0.41 -0.36 0.00 0.00 175.35 175.81 3kqz n GLY 375 N 2.92 4.48 3.51 5.54 0.00 -1.25 -0.48 105.19 119.90 3kqz n GLY 375 Ca 0.09 -2.23 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 -3.18 5.01 0.05 -0.61 -1.09 -0.90 -1.22 121.20 119.26 3kqz s ILE 376 Ca 0.43 -0.09 0.11 0.00 -2.23 0.00 0.00 60.65 58.88 3kqz s ILE 376 Cb 0.29 -4.05 -0.07 0.00 -1.58 0.00 0.00 42.46 37.05 3kqz s ILE 376 CO -0.10 -0.41 1.41 0.71 -1.23 0.00 0.00 174.94 175.32 3kqz h THR 377 N 5.73 1.33 -3.31 2.92 1.35 -1.20 -2.02 112.91 117.72 3kqz h THR 377 Ca -0.27 -2.73 -0.24 0.00 -0.55 0.00 0.00 66.41 62.63 3kqz h THR 377 Cb 1.11 2.56 -0.31 0.00 -1.73 0.00 0.00 68.15 69.78 3kqz h THR 377 CO 0.81 0.73 -0.60 0.12 -0.25 0.00 0.00 175.52 176.32 3kqz s PHE 378 N -2.96 -0.15 -0.42 4.73 5.36 -1.26 -4.26 117.98 119.01 3kqz s PHE 378 Ca 0.02 0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 56.37 3kqz s PHE 378 Cb 0.10 -0.06 0.11 0.00 -0.34 0.00 0.00 43.02 42.82 3kqz s PHE 378 CO 0.78 -0.14 0.24 0.34 -1.46 0.00 0.00 175.22 174.97 3kqz s ASP 379 N 0.91 5.36 0.44 6.13 2.15 -1.17 -0.67 116.67 129.82 3kqz s ASP 379 Ca -0.07 -2.00 0.24 0.00 0.43 0.00 0.00 52.55 51.15 3kqz s ASP 379 Cb -0.09 -1.87 0.56 0.00 -0.30 0.00 0.00 42.92 41.22 3kqz s ASP 379 CO -0.04 -0.58 1.68 0.77 -0.17 0.00 0.00 175.17 176.83 3kqz h SER 380 N 8.14 0.00 0.00 -0.34 4.64 -1.72 -3.44 113.55 120.83 3kqz h SER 380 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3kqz h SER 380 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3kqz h SER 380 CO 0.73 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 3kqz n GLY 381 N 0.81 2.03 7.00 -0.77 0.00 -1.26 -0.81 105.19 112.19 3kqz n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.76 0.24 0.35 -0.02 0.00 -1.26 -2.13 105.19 100.61 3kqz n GLY 382 Ca 0.00 -0.89 0.12 0.00 0.00 0.00 0.00 46.02 45.26 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 0.33 0.00 1.61 0.05 -1.83 0.20 116.97 117.33 3kqz h TYR 383 Ca 0.00 0.01 -0.33 0.00 0.05 0.00 0.00 58.73 58.46 3kqz h TYR 383 Cb 0.00 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.62 3kqz h TYR 383 CO 0.00 0.16 1.54 0.09 -1.05 0.00 0.00 178.16 178.90 3kqz n ASN 384 N -4.46 5.37 -4.41 3.88 4.13 -1.21 -4.96 115.26 113.59 3kqz n ASN 384 Ca 0.08 -2.34 -0.46 0.00 1.68 0.00 0.00 54.58 53.54 3kqz n ASN 384 Cb 0.36 -1.20 -0.02 0.00 -1.54 0.00 0.00 39.78 37.38 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 3.29 -1.09 -4.56 3.41 7.94 0.69 -4.59 117.00 122.09 3kqz n LEU 385 Ca 0.47 1.07 -0.36 0.00 -1.11 0.00 0.00 56.01 56.08 3kqz n LEU 385 Cb 0.43 -0.99 -0.04 0.00 0.53 0.00 0.00 43.42 43.36 3kqz n LEU 385 CO 0.47 -3.00 1.47 -0.54 -1.11 0.00 0.00 177.39 174.68 3kqz s LYS 386 N -1.10 3.21 -0.01 1.96 1.02 0.01 -4.59 119.74 120.24 3kqz s LYS 386 Ca 0.63 -0.89 0.01 0.00 0.02 0.00 0.00 55.97 55.73 3kqz s LYS 386 Cb -0.84 -5.26 -0.01 0.00 -0.52 0.00 0.00 37.83 31.20 3kqz s LYS 386 CO 0.58 -2.69 0.00 0.00 -0.92 0.00 0.00 175.35 172.31 3kqz n ALA 387 N 10.86 1.97 -1.75 5.17 0.00 -1.26 -4.65 120.51 130.86 3kqz n ALA 387 Ca 0.37 -0.07 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 3kqz n ALA 387 Cb 0.49 0.25 0.03 0.00 0.00 0.00 0.00 19.45 20.22 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz n ALA 388 N -2.09 1.76 -1.57 0.00 0.00 -1.26 -4.89 120.51 112.47 3kqz n ALA 388 Ca -0.02 0.21 -0.53 0.00 0.00 0.00 0.00 53.44 53.10 3kqz n ALA 388 Cb 0.53 -2.36 -0.06 0.00 0.00 0.00 0.00 19.45 17.56 3kqz n ALA 388 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3kqz n PRO 389 N -0.45 0.91 -0.84 0.00 -0.02 -1.26 -1.22 135.00 132.13 3kqz n PRO 389 Ca 0.07 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 3kqz n PRO 389 Cb 0.42 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3kqz n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 390 N 2.22 0.68 0.15 -1.23 0.00 -1.26 -4.93 105.19 100.81 3kqz n GLY 390 Ca 0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.25 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 -5.20 1.61 4.64 -1.51 -3.48 113.55 109.61 3kqz h SER 391 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 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 0.36 -0.66 0.23 -0.87 0.00 0.00 176.83 175.89 3kqz n MET 392 N -3.08 -6.04 0.24 4.77 2.81 -1.26 -4.87 117.12 109.69 3kqz n MET 392 Ca 0.00 0.74 0.07 0.00 -1.81 0.00 0.00 57.70 56.70 3kqz n MET 392 Cb 0.69 -5.45 0.56 0.00 -0.71 0.00 0.00 33.22 28.31 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 -1.80 1.03 0.00 2.02 2.10 -1.92 -0.34 117.51 118.59 3kqz h ILE 393 Ca -0.51 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 64.92 3kqz h ILE 393 Cb 1.30 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 3kqz h ILE 393 CO 0.45 0.14 0.00 -0.90 -1.08 0.00 0.00 178.15 176.76 3kqz n ASP 394 N -4.25 0.00 -0.19 2.19 5.75 -1.26 -1.68 116.55 117.10 3kqz n ASP 394 Ca -0.02 -0.07 0.11 0.00 -0.01 0.00 0.00 54.79 54.79 3kqz n ASP 394 Cb 0.22 -0.23 0.06 0.00 -1.03 0.00 0.00 41.12 40.14 3kqz n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kqz n LEU 395 N -1.23 1.24 0.00 -2.12 7.94 -0.14 -4.62 117.00 118.08 3kqz n LEU 395 Ca 0.09 -0.46 0.06 0.00 -1.11 0.00 0.00 56.01 54.59 3kqz n LEU 395 Cb 0.12 -0.06 0.31 0.00 0.53 0.00 0.00 43.42 44.32 3kqz n LEU 395 CO 0.12 0.26 0.65 0.23 -1.11 0.00 0.00 177.39 177.54 3kqz n MET 396 N -0.90 0.18 0.32 1.96 2.81 -0.68 -0.36 117.12 120.45 3kqz n MET 396 Ca 0.07 0.17 0.19 0.00 -1.81 0.00 0.00 57.70 56.32 3kqz n MET 396 Cb 0.38 -1.50 1.02 0.00 -0.71 0.00 0.00 33.22 32.40 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 -1.82 -2.12 116.57 114.77 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 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3kqz h LYS 397 CO 0.00 0.00 -0.11 1.97 -2.00 0.00 0.00 179.45 179.31 3kqz n PHE 398 N -3.07 0.00 0.95 0.07 -0.00 0.51 -3.79 117.46 112.13 3kqz n PHE 398 Ca -0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.46 3kqz n PHE 398 Cb 0.23 -0.24 0.16 0.00 -0.00 0.00 0.00 39.48 39.63 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 -1.11 0.00 -0.76 5.98 2.03 -0.80 -0.38 116.55 121.51 3kqz n ASP 399 Ca 0.13 -0.78 0.09 0.00 0.52 0.00 0.00 54.79 54.75 3kqz n ASP 399 Cb 0.28 0.00 0.24 0.00 -0.72 0.00 0.00 41.12 40.92 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 -0.68 2.70 -0.04 -0.67 0.00 -0.76 -2.13 117.12 115.54 3kqz n MET 400 Ca 0.04 -2.76 0.03 0.00 0.00 0.00 0.00 57.70 55.01 3kqz n MET 400 Cb 0.02 -1.76 0.38 0.00 0.00 0.00 0.00 33.22 31.85 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 1.55 0.55 0.58 3.17 0.02 -0.87 0.27 113.55 118.83 3kqz h SER 401 Ca 0.00 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3kqz h SER 401 Cb 1.34 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 63.75 3kqz h SER 401 CO 0.18 0.42 -0.28 1.23 -1.14 0.00 0.00 176.83 177.24 3kqz h GLY 402 N 0.68 -0.82 -0.24 -3.77 0.00 -1.78 0.18 103.07 97.33 3kqz h GLY 402 Ca 0.17 0.30 0.15 0.00 0.00 0.00 0.00 47.33 47.95 3kqz h GLY 402 CO -0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 176.54 176.17 3kqz h ALA 404 N 1.64 1.70 -0.31 0.00 0.00 -0.56 -1.29 119.26 120.44 3kqz h ALA 404 Ca 0.35 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.15 3kqz h ALA 404 Cb 0.59 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kqz h ALA 404 CO -0.62 0.21 -0.15 0.00 0.00 0.00 0.00 179.25 178.69 3kqz h ALA 405 N 1.63 1.15 -0.11 0.00 0.00 0.93 -0.23 119.26 122.62 3kqz h ALA 405 Ca 0.27 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 3kqz h ALA 405 Cb 0.16 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kqz h ALA 405 CO -0.08 0.54 -0.84 0.28 0.00 0.00 0.00 179.25 179.14 3kqz h VAL 406 N 0.51 1.29 -0.06 0.00 2.07 -0.53 1.00 116.25 120.52 3kqz h VAL 406 Ca 0.09 -2.06 -0.22 0.00 0.82 0.00 0.00 66.70 65.32 3kqz h VAL 406 Cb 0.56 2.09 0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3kqz h VAL 406 CO 0.04 0.65 -0.86 -0.07 0.02 0.00 0.00 177.57 177.34 3kqz h LEU 407 N 0.48 0.70 -1.43 2.57 3.38 -1.21 0.48 115.31 120.28 3kqz h LEU 407 Ca -0.07 -0.50 -0.01 0.00 0.09 0.00 0.00 57.88 57.39 3kqz h LEU 407 Cb 1.48 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3kqz h LEU 407 CO 0.17 1.29 0.25 1.23 0.09 0.00 0.00 178.44 181.47 3kqz h GLY 408 N 0.92 0.68 0.97 0.83 0.00 -0.95 -1.90 103.07 103.62 3kqz h GLY 408 Ca -0.07 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 46.87 3kqz h GLY 408 CO 0.16 0.28 -0.17 0.00 0.00 0.00 0.00 176.54 176.81 3kqz h ALA 410 N 0.78 2.36 0.25 0.00 0.00 0.36 0.99 119.26 124.00 3kqz h ALA 410 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3kqz h ALA 410 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3kqz h ALA 410 CO 0.05 -0.64 -0.12 -0.92 0.00 0.00 0.00 179.25 177.62 3kqz h TYR 411 N 0.30 -0.32 -0.22 0.00 3.20 -0.89 0.35 116.97 119.40 3kqz h TYR 411 Ca 0.46 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.38 3kqz h TYR 411 Cb 1.31 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 39.63 3kqz h TYR 411 CO -0.00 0.04 -0.11 0.00 -1.64 0.00 0.00 178.16 176.44 3kqz h VAL 413 N -0.09 0.97 -0.65 0.00 2.07 -0.84 -0.02 116.25 117.68 3kqz h VAL 413 Ca 0.12 -0.16 0.14 0.00 0.82 0.00 0.00 66.70 67.62 3kqz h VAL 413 Cb 0.27 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3kqz h VAL 413 CO -0.28 0.04 0.44 1.23 0.02 0.00 0.00 177.57 179.02 3kqz h GLY 414 N -0.18 0.46 0.58 2.17 0.00 0.05 0.13 103.07 106.29 3kqz h GLY 414 Ca -0.01 -0.12 -0.22 0.00 0.00 0.00 0.00 47.33 46.98 3kqz h GLY 414 CO 0.02 0.05 -1.06 -0.84 0.00 0.00 0.00 176.54 174.71 3kqz h THR 415 N 0.29 1.29 0.00 4.70 2.02 -0.22 -3.36 112.91 117.63 3kqz h THR 415 Ca 0.31 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 65.03 3kqz h THR 415 Cb 0.82 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.19 3kqz h THR 415 CO -0.07 0.69 -0.57 -0.07 0.37 0.00 0.00 175.52 175.86 3kqz h LEU 416 N -0.39 0.00 -2.92 2.58 3.38 -0.78 -3.49 115.31 113.68 3kqz h LEU 416 Ca -0.22 -0.04 -0.26 0.00 0.09 0.00 0.00 57.88 57.46 3kqz h LEU 416 Cb 1.66 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.46 3kqz h LEU 416 CO 0.09 0.02 -0.61 0.29 0.09 0.00 0.00 178.44 178.32 3kqz n LYS 417 N -2.68 -1.44 -1.44 1.13 5.02 0.43 -4.93 118.16 114.24 3kqz n LYS 417 Ca 0.02 0.97 -0.34 0.00 -2.02 0.00 0.00 58.31 56.94 3kqz n LYS 417 Cb 0.52 -4.54 0.09 0.00 -0.02 0.00 0.00 35.03 31.08 3kqz n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kqz s PRO 418 N -4.43 2.17 0.36 1.97 0.04 -1.26 -4.99 135.00 128.86 3kqz s PRO 418 Ca 0.19 1.72 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 3kqz s PRO 418 Cb -0.06 -1.84 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 3kqz s PRO 418 CO 0.81 -1.80 0.67 -1.21 0.04 0.00 0.00 177.00 175.51 3kqz s GLU 419 N -3.95 3.67 -1.52 4.56 2.02 -1.26 -4.62 118.70 117.61 3kqz s GLU 419 Ca 0.73 0.20 0.00 0.00 0.02 0.00 0.00 54.97 55.92 3kqz s GLU 419 Cb -0.28 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3kqz s GLU 419 CO 0.45 0.05 0.00 0.09 0.02 0.00 0.00 175.26 175.87 3kqz n ASN 420 N -1.31 -4.76 -4.31 -0.19 3.02 -1.24 -4.98 115.26 101.49 3kqz n ASN 420 Ca 0.00 0.35 -0.23 0.00 -0.03 0.00 0.00 54.58 54.67 3kqz n ASN 420 Cb 0.54 -3.52 -0.12 0.00 -0.61 0.00 0.00 39.78 36.07 3kqz n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kqz s VAL 421 N -2.52 1.77 -0.16 2.41 -7.23 -1.26 0.06 120.40 113.47 3kqz s VAL 421 Ca 0.00 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.51 3kqz s VAL 421 Cb 0.00 -1.67 0.02 0.00 0.56 0.00 0.00 36.38 35.29 3kqz s VAL 421 CO 0.00 -0.14 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.75 3kqz s GLU 422 N -2.21 2.91 -0.10 4.82 2.12 0.67 -1.67 118.70 125.24 3kqz s GLU 422 Ca 0.10 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.62 3kqz s GLU 422 Cb -0.09 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.84 3kqz s GLU 422 CO 0.05 -0.12 -0.07 0.42 -0.54 0.00 0.00 175.26 175.01 3kqz s ILE 423 N 1.07 3.67 -0.13 -3.70 -1.09 0.10 -0.18 121.20 120.94 3kqz s ILE 423 Ca -0.01 -0.47 -0.00 0.00 -2.23 0.00 0.00 60.65 57.93 3kqz s ILE 423 Cb -0.14 -2.53 -0.02 0.00 -1.58 0.00 0.00 42.46 38.19 3kqz s ILE 423 CO -0.07 0.56 -0.12 -1.00 -1.23 0.00 0.00 174.94 173.08 3kqz s HIS 424 N -0.39 2.84 -0.55 3.97 3.76 0.11 -0.64 115.29 124.38 3kqz s HIS 424 Ca 0.06 -0.56 -0.03 0.00 -0.15 0.00 0.00 55.06 54.37 3kqz s HIS 424 Cb -0.12 -1.85 0.14 0.00 1.11 0.00 0.00 32.58 31.86 3kqz s HIS 424 CO 0.02 -0.16 0.36 -0.06 -0.85 0.00 0.00 174.74 174.06 3kqz s PHE 425 N 0.28 3.47 0.15 1.40 0.08 0.16 0.00 117.98 123.53 3kqz s PHE 425 Ca -0.09 -2.58 -0.11 0.00 0.12 0.00 0.00 56.93 54.27 3kqz s PHE 425 Cb -0.15 -3.23 -0.07 0.00 -0.57 0.00 0.00 43.02 39.00 3kqz s PHE 425 CO 0.05 -0.89 0.51 -0.51 -0.10 0.00 0.00 175.22 174.28 3kqz s LEU 426 N 0.38 4.29 -0.45 -0.37 1.43 0.45 -2.60 118.68 121.80 3kqz s LEU 426 Ca 0.14 0.94 0.07 0.00 -1.03 0.00 0.00 54.13 54.25 3kqz s LEU 426 Cb -0.21 -3.32 0.18 0.00 0.03 0.00 0.00 46.19 42.87 3kqz s LEU 426 CO -0.04 0.07 0.63 -0.55 0.23 0.00 0.00 176.35 176.70 3kqz s SER 427 N -1.94 -1.11 -0.64 2.29 0.15 0.35 -1.61 113.70 111.20 3kqz s SER 427 Ca 0.40 -1.38 -0.26 0.00 0.70 0.00 0.00 55.95 55.41 3kqz s SER 427 Cb -0.14 1.69 -0.09 0.00 -1.71 0.00 0.00 66.02 65.78 3kqz s SER 427 CO 0.20 -0.13 2.33 0.00 1.20 0.00 0.00 173.24 176.84 3kqz s ALA 428 N 1.30 1.33 -0.16 5.45 0.00 -1.26 -1.81 121.76 126.61 3kqz s ALA 428 Ca 0.23 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.63 3kqz s ALA 428 Cb -0.03 -4.44 -0.05 0.00 0.00 0.00 0.00 23.12 18.60 3kqz s ALA 428 CO -0.06 -4.98 0.25 0.08 0.00 0.00 0.00 175.76 171.05 3kqz s VAL 429 N 12.79 5.33 0.32 0.00 1.01 -0.40 -3.89 120.40 135.55 3kqz s VAL 429 Ca 0.91 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 63.23 3kqz s VAL 429 Cb -0.14 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3kqz s VAL 429 CO 0.17 0.43 0.67 0.00 0.00 0.00 0.00 175.10 176.37 3kqz s GLU 431 N -2.07 1.65 -0.65 0.00 2.12 -1.26 -0.72 118.70 117.76 3kqz s GLU 431 Ca 0.14 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.66 3kqz s GLU 431 Cb -0.04 -1.55 0.17 0.00 0.26 0.00 0.00 34.13 32.97 3kqz s GLU 431 CO 0.10 0.38 0.57 1.21 -0.54 0.00 0.00 175.26 176.97 3kqz s ASN 432 N -0.34 6.19 0.32 -1.70 2.47 0.16 -4.31 114.94 117.73 3kqz s ASN 432 Ca 0.05 -2.31 0.07 0.00 0.42 0.00 0.00 52.86 51.09 3kqz s ASN 432 Cb -0.09 -2.12 -0.06 0.00 -1.45 0.00 0.00 41.25 37.53 3kqz s ASN 432 CO 0.00 -0.65 -0.05 -0.04 -3.72 0.00 0.00 177.10 172.64 3kqz s MET 433 N 0.77 1.68 -0.15 0.43 -1.94 -1.26 -1.79 119.30 117.04 3kqz s MET 433 Ca 0.11 -1.88 -0.06 0.00 -1.71 0.00 0.00 55.69 52.15 3kqz s MET 433 Cb -0.20 -1.33 -0.04 0.00 2.01 0.00 0.00 34.83 35.27 3kqz s MET 433 CO -0.03 0.03 0.05 0.08 -0.01 0.00 0.00 175.02 175.14 3kqz s VAL 434 N -2.89 4.73 -0.00 -6.03 1.01 -1.26 -4.61 120.40 111.34 3kqz s VAL 434 Ca 0.32 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.94 3kqz s VAL 434 Cb 0.05 -3.09 0.10 0.00 0.00 0.00 0.00 36.38 33.44 3kqz s VAL 434 CO 0.14 0.52 0.99 -0.55 0.00 0.00 0.00 175.10 176.20 3kqz s SER 435 N -0.12 -0.26 0.64 3.32 0.15 -1.26 -4.96 113.70 111.21 3kqz s SER 435 Ca 0.07 -0.10 0.38 0.00 0.70 0.00 0.00 55.95 57.00 3kqz s SER 435 Cb -0.12 0.35 2.14 0.00 -1.71 0.00 0.00 66.02 66.67 3kqz s SER 435 CO 0.01 -0.59 2.27 0.07 1.20 0.00 0.00 173.24 176.21 3kqz h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.97 -2.87 116.57 121.26 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 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3kqz h LYS 436 CO 0.28 0.00 -0.49 0.09 -2.00 0.00 0.00 179.45 177.33 3kqz n ASN 437 N -3.31 1.70 -4.70 7.07 3.02 -1.26 -4.98 115.26 112.80 3kqz n ASN 437 Ca -0.02 -1.31 -0.32 0.00 -0.03 0.00 0.00 54.58 52.89 3kqz n ASN 437 Cb 0.13 0.46 0.14 0.00 -0.61 0.00 0.00 39.78 39.90 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3kqz s SER 438 N -2.55 3.48 0.65 6.41 0.01 -1.09 -3.75 113.70 116.87 3kqz s SER 438 Ca 0.18 2.24 -0.14 0.00 1.31 0.00 0.00 55.95 59.55 3kqz s SER 438 Cb 0.18 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 3kqz s SER 438 CO 0.60 -2.73 1.08 -0.72 0.41 0.00 0.00 173.24 171.87 3kqz s TYR 439 N -2.40 2.85 0.04 2.43 1.13 -1.26 -4.85 117.35 115.29 3kqz s TYR 439 Ca 0.70 1.51 0.06 0.00 -1.41 0.00 0.00 57.07 57.93 3kqz s TYR 439 Cb -0.25 -3.04 -0.02 0.00 -1.10 0.00 0.00 41.96 37.54 3kqz s TYR 439 CO 0.53 -1.39 -0.16 1.03 -2.51 0.00 0.00 175.55 173.06 3kqz s ARG 440 N -4.32 1.05 0.27 -3.49 0.52 -1.26 -4.58 118.95 107.14 3kqz s ARG 440 Ca 0.63 -0.81 -0.27 0.00 -0.52 0.00 0.00 55.73 54.76 3kqz s ARG 440 Cb -0.17 -1.09 -0.15 0.00 0.52 0.00 0.00 34.95 34.06 3kqz s ARG 440 CO 0.43 0.27 0.80 -2.30 0.02 0.00 0.00 175.30 174.52 3kqz n PRO 441 N 1.87 0.82 0.00 3.54 -0.02 -1.26 -0.67 135.00 139.28 3kqz n PRO 441 Ca -0.18 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3kqz n PRO 441 Cb 0.54 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 1.54 2.91 3.62 -1.23 0.00 0.20 -5.02 105.19 107.21 3kqz n GLY 442 Ca 0.13 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.30 1.56 -4.43 1.61 9.92 0.16 -4.34 116.55 121.32 3kqz n ASP 443 Ca 0.00 1.11 -0.36 0.00 -0.53 0.00 0.00 54.79 55.01 3kqz n ASP 443 Cb 0.00 -1.36 -0.13 0.00 -0.64 0.00 0.00 41.12 38.99 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 -1.18 4.04 0.15 0.53 1.01 -1.26 -0.26 121.20 124.23 3kqz s ILE 444 Ca 0.60 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 61.07 3kqz s ILE 444 Cb -0.60 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.98 3kqz s ILE 444 CO 0.59 0.39 -0.21 0.27 0.00 0.00 0.00 174.94 175.98 3kqz s ILE 445 N 1.30 1.94 -0.23 2.92 -4.36 0.06 -4.92 121.20 117.91 3kqz s ILE 445 Ca 0.04 -1.80 -0.04 0.00 -0.26 0.00 0.00 60.65 58.58 3kqz s ILE 445 Cb -0.15 -1.83 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 3kqz s ILE 445 CO 0.02 -0.15 -0.02 -0.89 0.24 0.00 0.00 174.94 174.14 3kqz s THR 446 N -1.58 3.52 0.93 8.37 2.01 -1.26 0.47 115.64 128.09 3kqz s THR 446 Ca 0.14 -0.49 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 3kqz s THR 446 Cb -0.08 -2.63 0.15 0.00 0.01 0.00 0.00 72.50 69.95 3kqz s THR 446 CO 0.06 0.38 1.14 0.00 -0.69 0.00 0.00 174.62 175.51 3kqz s ALA 447 N 1.49 1.65 -0.46 7.40 0.00 0.71 -2.52 121.76 130.03 3kqz s ALA 447 Ca 0.05 -0.55 0.24 0.00 0.00 0.00 0.00 51.96 51.71 3kqz s ALA 447 Cb -0.15 -3.03 1.00 0.00 0.00 0.00 0.00 23.12 20.94 3kqz s ALA 447 CO -0.02 -2.41 1.73 -1.13 0.00 0.00 0.00 175.76 173.93 3kqz n SER 448 N -3.85 0.71 -1.53 0.00 3.41 -1.15 -0.72 113.62 110.49 3kqz n SER 448 Ca 0.07 0.67 0.05 0.00 -0.26 0.00 0.00 58.87 59.41 3kqz n SER 448 Cb 0.59 -0.82 0.30 0.00 -0.26 0.00 0.00 64.21 64.02 3kqz n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqz n ASN 449 N -2.28 4.50 0.00 4.04 6.94 -1.26 -4.92 115.26 122.28 3kqz n ASN 449 Ca 0.02 -2.66 0.00 0.00 -0.02 0.00 0.00 54.58 51.92 3kqz n ASN 449 Cb 0.24 -0.63 0.00 0.00 -2.36 0.00 0.00 39.78 37.03 3kqz n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kqz n GLY 450 N 0.53 2.37 3.72 4.83 0.00 0.10 -5.02 105.19 111.72 3kqz n GLY 450 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.15 4.34 0.01 1.61 1.02 -1.26 -4.73 119.74 120.59 3kqz s LYS 451 Ca 0.00 2.05 -0.23 0.00 0.02 0.00 0.00 55.97 57.80 3kqz s LYS 451 Cb 0.00 -3.25 -0.05 0.00 -0.52 0.00 0.00 37.83 34.01 3kqz s LYS 451 CO 0.00 -0.40 0.70 0.95 -0.92 0.00 0.00 175.35 175.68 3kqz s THR 452 N 1.00 4.83 -0.12 2.17 -4.23 -1.26 -0.21 115.64 117.82 3kqz s THR 452 Ca 0.63 1.48 0.02 0.00 -1.18 0.00 0.00 61.69 62.65 3kqz s THR 452 Cb -0.36 -4.05 -0.00 0.00 1.34 0.00 0.00 72.50 69.43 3kqz s THR 452 CO 0.31 0.36 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.93 3kqz s ILE 453 N 0.03 2.40 -0.33 2.99 1.01 0.18 -1.84 121.20 125.63 3kqz s ILE 453 Ca 0.36 -0.89 -0.23 0.00 0.00 0.00 0.00 60.65 59.89 3kqz s ILE 453 Cb -0.19 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.32 3kqz s ILE 453 CO 0.20 0.54 0.79 -0.70 0.00 0.00 0.00 174.94 175.78 3kqz s GLU 454 N 0.44 3.87 -0.20 2.79 2.12 -0.39 -0.76 118.70 126.57 3kqz s GLU 454 Ca -0.14 0.47 -0.29 0.00 0.36 0.00 0.00 54.97 55.37 3kqz s GLU 454 Cb -0.17 -3.76 -0.00 0.00 0.26 0.00 0.00 34.13 30.45 3kqz s GLU 454 CO 0.06 -0.76 1.18 0.08 -0.54 0.00 0.00 175.26 175.28 3kqz s VAL 455 N 3.03 4.43 -0.03 3.70 1.01 0.65 -1.23 120.40 131.95 3kqz s VAL 455 Ca 0.32 1.73 0.19 0.00 0.00 0.00 0.00 61.98 64.22 3kqz s VAL 455 Cb -0.14 -4.13 -0.29 0.00 0.00 0.00 0.00 36.38 31.83 3kqz s VAL 455 CO 0.14 -0.17 0.40 0.61 0.00 0.00 0.00 175.10 176.08 3kqz n GLY 456 N 3.52 -0.85 3.41 4.51 0.00 -1.26 0.58 105.19 115.10 3kqz n GLY 456 Ca 0.13 -0.44 -0.04 0.00 0.00 0.00 0.00 46.02 45.67 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 -4.19 -0.71 0.06 1.61 3.84 -1.26 -4.72 114.94 109.56 3kqz s ASN 457 Ca -0.07 1.20 0.18 0.00 0.21 0.00 0.00 52.86 54.38 3kqz s ASN 457 Cb 0.12 1.83 0.75 0.00 -0.55 0.00 0.00 41.25 43.40 3kqz s ASN 457 CO 0.77 -0.23 1.57 0.35 -2.79 0.00 0.00 177.10 176.77 3kqz n THR 458 N 5.42 0.86 1.46 -5.21 -2.24 -1.26 -1.16 114.28 112.14 3kqz n THR 458 Ca -0.09 0.21 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 3kqz n THR 458 Cb 0.49 -0.97 0.51 0.00 -2.10 0.00 0.00 70.33 68.26 3kqz n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqz n ASP 459 N -1.66 1.46 -2.79 3.42 2.03 -0.90 -3.52 116.55 114.58 3kqz n ASP 459 Ca 0.04 -1.53 -0.39 0.00 0.52 0.00 0.00 54.79 53.43 3kqz n ASP 459 Cb 0.20 -0.03 0.05 0.00 -0.72 0.00 0.00 41.12 40.63 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 0.15 6.47 0.02 -1.67 0.00 -0.31 -4.66 120.51 120.51 3kqz n ALA 460 Ca 0.18 -3.99 -0.05 0.00 0.00 0.00 0.00 53.44 49.59 3kqz n ALA 460 Cb 0.33 -1.93 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 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 2.78 0.00 -0.71 0.00 9.09 -1.78 -3.32 114.58 120.64 3kqz h GLU 461 Ca 0.57 0.00 0.09 0.00 0.05 0.00 0.00 59.36 60.08 3kqz h GLU 461 Cb 0.20 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.23 3kqz h GLU 461 CO 1.46 0.54 0.35 0.78 0.05 0.00 0.00 179.01 182.20 3kqz h GLY 462 N 3.46 1.07 2.00 1.06 0.00 -1.90 -1.87 103.07 106.88 3kqz h GLY 462 Ca -0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 3kqz h GLY 462 CO 0.08 0.06 -0.17 0.07 0.00 0.00 0.00 176.54 176.58 3kqz h ARG 463 N 0.60 0.00 -0.10 4.80 0.11 -1.94 -0.38 114.38 117.47 3kqz h ARG 463 Ca 0.35 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.20 3kqz h ARG 463 Cb 0.37 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.46 3kqz h ARG 463 CO -0.27 0.17 -0.85 -0.07 0.10 0.00 0.00 179.97 179.05 3kqz h LEU 464 N 0.00 0.90 -0.46 0.08 3.38 -1.52 0.84 115.31 118.53 3kqz h LEU 464 Ca -0.00 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 57.17 3kqz h LEU 464 Cb 0.35 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3kqz h LEU 464 CO 0.02 1.42 -0.76 0.71 0.09 0.00 0.00 178.44 179.93 3kqz h THR 465 N 0.48 1.47 -0.26 0.22 1.35 -1.20 -2.99 112.91 111.97 3kqz h THR 465 Ca -0.07 -2.39 -0.13 0.00 -0.55 0.00 0.00 66.41 63.27 3kqz h THR 465 Cb 1.49 2.29 -0.01 0.00 -1.73 0.00 0.00 68.15 70.19 3kqz h THR 465 CO 0.17 0.70 -0.38 -0.07 -0.25 0.00 0.00 175.52 175.69 3kqz h LEU 466 N 0.10 0.63 -0.59 3.87 3.38 -1.00 -2.08 115.31 119.62 3kqz h LEU 466 Ca -0.02 -0.27 0.12 0.00 0.09 0.00 0.00 57.88 57.80 3kqz h LEU 466 Cb 1.33 -0.18 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 3kqz h LEU 466 CO 0.11 0.94 -0.06 0.00 0.09 0.00 0.00 178.44 179.53 3kqz h ALA 467 N 1.09 0.51 0.05 1.53 0.00 -0.68 0.55 119.26 122.30 3kqz h ALA 467 Ca 0.05 0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 3kqz h ALA 467 Cb 0.88 0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3kqz h ALA 467 CO 0.08 -0.41 -1.08 -0.44 0.00 0.00 0.00 179.25 177.39 3kqz h ASP 468 N 0.07 0.65 -0.72 0.00 3.32 -1.47 -1.65 116.42 116.62 3kqz h ASP 468 Ca 0.30 -0.57 0.03 0.00 0.02 0.00 0.00 57.03 56.81 3kqz h ASP 468 Cb 0.47 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3kqz h ASP 468 CO -0.54 1.38 0.48 0.00 -1.72 0.00 0.00 179.24 178.84 3kqz h ALA 469 N 0.56 1.57 -0.13 3.45 0.00 -0.77 -1.60 119.26 122.33 3kqz h ALA 469 Ca -0.12 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 3kqz h ALA 469 Cb 1.75 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 19.29 3kqz h ALA 469 CO 0.19 0.36 -0.49 -0.07 0.00 0.00 0.00 179.25 179.25 3kqz h LEU 470 N 0.89 0.66 -0.28 0.00 3.38 0.43 0.21 115.31 120.60 3kqz h LEU 470 Ca 0.28 -0.61 0.05 0.00 0.09 0.00 0.00 57.88 57.69 3kqz h LEU 470 Cb 0.03 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3kqz h LEU 470 CO -0.08 1.16 -0.04 0.58 0.09 0.00 0.00 178.44 180.15 3kqz h VAL 471 N 0.20 0.75 -0.22 1.22 2.07 -1.16 0.11 116.25 119.21 3kqz h VAL 471 Ca -0.02 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3kqz h VAL 471 Cb 1.12 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3kqz h VAL 471 CO 0.10 0.01 0.12 0.22 0.02 0.00 0.00 177.57 178.04 3kqz h TYR 472 N 0.03 0.31 -0.35 1.57 3.20 -1.01 -1.16 116.97 119.57 3kqz h TYR 472 Ca 0.14 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.07 3kqz h TYR 472 Cb 0.20 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.30 3kqz h TYR 472 CO -0.25 0.29 -0.12 0.00 -1.64 0.00 0.00 178.16 176.45 3kqz h ALA 473 N 0.99 0.19 -0.44 1.82 0.00 -0.34 -2.55 119.26 118.93 3kqz h ALA 473 Ca 0.08 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3kqz h ALA 473 Cb 0.09 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3kqz h ALA 473 CO -0.01 -0.49 0.12 1.49 0.00 0.00 0.00 179.25 180.36 3kqz h GLU 474 N -0.04 0.64 0.00 0.00 4.81 0.03 -1.26 114.58 118.76 3kqz h GLU 474 Ca 0.17 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3kqz h GLU 474 Cb 0.30 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3kqz h GLU 474 CO -0.38 0.57 0.00 0.87 -0.73 0.00 0.00 179.01 179.34 3kqz h LYS 475 N 0.63 0.00 0.00 1.92 1.57 -0.82 -2.40 116.57 117.48 3kqz h LYS 475 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3kqz h LYS 475 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3kqz h LYS 475 CO -0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.15 3kqz n LEU 476 N -2.54 0.60 -2.03 2.94 4.77 -0.48 -4.93 117.00 115.33 3kqz n LEU 476 Ca 0.00 0.61 -0.04 0.00 -0.03 0.00 0.00 56.01 56.56 3kqz n LEU 476 Cb 0.18 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 3kqz n LEU 476 CO 0.19 -0.39 0.03 0.61 -1.33 0.00 0.00 177.39 176.49 3kqz n GLY 477 N 0.43 0.12 3.60 -0.72 0.00 -0.90 -5.04 105.19 102.67 3kqz n GLY 477 Ca 0.03 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3kqz n GLY 477 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s VAL 478 N -3.10 3.35 0.14 1.61 0.11 -1.26 -4.95 120.40 116.30 3kqz s VAL 478 Ca 0.12 -1.57 -0.04 0.00 -2.93 0.00 0.00 61.98 57.56 3kqz s VAL 478 Cb -0.02 -2.66 -0.16 0.00 -1.53 0.00 0.00 36.38 32.02 3kqz s VAL 478 CO 0.23 -0.10 1.34 0.44 -3.33 0.00 0.00 175.10 173.68 3kqz h ASP 479 N 2.89 0.52 -3.74 3.54 3.32 -0.61 -3.47 116.42 118.88 3kqz h ASP 479 Ca -0.47 -0.39 -0.22 0.00 0.02 0.00 0.00 57.03 55.97 3kqz h ASP 479 Cb 1.20 -0.16 -0.28 0.00 0.22 0.00 0.00 39.33 40.32 3kqz h ASP 479 CO 0.55 1.18 -0.67 -0.31 -1.72 0.00 0.00 179.24 178.27 3kqz s TYR 480 N -3.37 -0.05 -0.13 4.55 2.02 -1.04 -3.92 117.35 115.41 3kqz s TYR 480 Ca -0.06 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.77 3kqz s TYR 480 Cb 0.09 0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.68 3kqz s TYR 480 CO 0.86 -0.02 -0.16 0.42 -1.57 0.00 0.00 175.55 175.08 3kqz s ILE 481 N 0.03 1.60 -0.14 2.71 1.01 -0.59 -1.06 121.20 124.76 3kqz s ILE 481 Ca -0.00 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3kqz s ILE 481 Cb -0.00 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 41.01 3kqz s ILE 481 CO 0.00 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.55 3kqz s VAL 482 N 1.22 1.67 0.13 2.92 1.01 0.59 -1.29 120.40 126.64 3kqz s VAL 482 Ca -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3kqz s VAL 482 Cb -0.14 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 3kqz s VAL 482 CO -0.06 0.47 0.03 1.51 0.00 0.00 0.00 175.10 177.05 3kqz s ASP 483 N 1.22 5.09 -0.01 3.32 1.47 -0.44 -0.50 116.67 126.82 3kqz s ASP 483 Ca -0.00 -0.22 0.00 0.00 1.18 0.00 0.00 52.55 53.51 3kqz s ASP 483 Cb -0.14 -1.22 0.01 0.00 -0.34 0.00 0.00 42.92 41.24 3kqz s ASP 483 CO -0.07 0.13 0.01 -0.51 0.68 0.00 0.00 175.17 175.41 3kqz s ILE 484 N -1.53 -0.02 -0.28 2.11 2.07 0.55 -0.06 121.20 124.04 3kqz s ILE 484 Ca 0.28 0.09 -0.24 0.00 -1.41 0.00 0.00 60.65 59.37 3kqz s ILE 484 Cb -0.11 -0.04 0.09 0.00 0.13 0.00 0.00 42.46 42.53 3kqz s ILE 484 CO 0.20 0.04 0.83 0.00 -1.91 0.00 0.00 174.94 174.09 3kqz s ALA 485 N 0.45 -1.87 -1.31 1.50 0.00 -0.30 -1.50 121.76 118.74 3kqz s ALA 485 Ca -0.04 2.02 -0.17 0.00 0.00 0.00 0.00 51.96 53.78 3kqz s ALA 485 Cb -0.06 -1.31 0.03 0.00 0.00 0.00 0.00 23.12 21.78 3kqz s ALA 485 CO -0.01 -0.31 1.97 0.25 0.00 0.00 0.00 175.76 177.66 3kqz n THR 486 N 2.72 3.40 -0.08 0.00 -2.24 -1.26 -0.88 114.28 115.94 3kqz n THR 486 Ca -0.14 -3.27 -0.23 0.00 -2.27 0.00 0.00 64.05 58.14 3kqz n THR 486 Cb 0.56 -2.44 -0.12 0.00 -2.10 0.00 0.00 70.33 66.23 3kqz n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kqz n LEU 487 N 7.86 2.23 -3.88 3.22 7.94 -1.26 -4.70 117.00 128.41 3kqz n LEU 487 Ca 0.50 0.28 -0.22 0.00 -1.11 0.00 0.00 56.01 55.46 3kqz n LEU 487 Cb 0.43 -0.98 -0.17 0.00 0.53 0.00 0.00 43.42 43.23 3kqz n LEU 487 CO 0.84 0.58 -0.41 0.42 -1.11 0.00 0.00 177.39 177.71 3kqz s THR 488 N -2.47 0.60 0.46 1.96 -4.23 -1.26 -4.96 115.64 105.75 3kqz s THR 488 Ca -0.30 -0.12 0.23 0.00 -1.18 0.00 0.00 61.69 60.32 3kqz s THR 488 Cb 0.08 -0.64 0.27 0.00 1.34 0.00 0.00 72.50 73.55 3kqz s THR 488 CO 0.62 0.26 2.08 1.23 -0.54 0.00 0.00 174.62 178.27 3kqz h GLY 489 N 7.48 0.00 -0.77 3.99 0.00 -1.93 -1.46 103.07 110.37 3kqz h GLY 489 Ca -0.33 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.34 3kqz h GLY 489 CO 0.42 0.00 1.05 0.00 0.00 0.00 0.00 176.54 178.02 3kqz h ALA 490 N 1.88 3.07 -0.00 3.60 0.00 -1.96 0.32 119.26 126.18 3kqz h ALA 490 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kqz h ALA 490 Cb 0.26 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3kqz h ALA 490 CO 0.02 -1.66 0.00 0.52 0.00 0.00 0.00 179.25 178.12 3kqz h MET 491 N 0.00 0.00 0.00 0.00 2.86 -1.64 0.37 114.93 116.52 3kqz h MET 491 Ca 0.56 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.14 3kqz h MET 491 Cb 2.67 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 34.32 3kqz h MET 491 CO -0.01 0.00 -0.30 -0.07 1.06 0.00 0.00 176.91 177.59 3kqz h LEU 492 N 0.00 0.00 0.00 1.22 3.38 -1.14 0.32 115.31 119.09 3kqz h LEU 492 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kqz h LEU 492 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kqz h LEU 492 CO -0.00 0.30 -1.06 -1.22 0.09 0.00 0.00 178.44 176.55 3kqz n TYR 493 N -3.44 0.16 -0.03 1.13 4.02 0.05 -3.60 117.16 115.44 3kqz n TYR 493 Ca 0.00 0.05 -0.03 0.00 -0.01 0.00 0.00 57.90 57.91 3kqz n TYR 493 Cb 0.48 -0.33 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 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 -1.85 0.74 -0.04 7.72 3.41 -0.75 -4.83 113.62 118.01 3kqz n SER 494 Ca 0.02 0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.83 3kqz n SER 494 Cb 0.42 -0.60 -0.16 0.00 -0.26 0.00 0.00 64.21 63.61 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 -3.24 0.00 0.00 1.04 4.77 -0.42 -5.08 117.00 114.07 3kqz n LEU 495 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3kqz n LEU 495 Cb 0.18 0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3kqz n LEU 495 CO 0.07 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3kqz n GLY 496 N 1.51 -0.13 0.53 -0.72 0.00 0.10 -4.24 105.19 102.24 3kqz n GLY 496 Ca -0.15 -1.35 0.13 0.00 0.00 0.00 0.00 46.02 44.65 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 0.06 -0.07 2.61 -2.24 -1.26 -4.25 114.28 109.14 3kqz n THR 497 Ca 0.00 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 3kqz n THR 497 Cb 0.00 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.69 3kqz n THR 497 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3kqz n SER 498 N 0.28 1.16 -4.71 3.42 2.88 -1.26 -4.35 113.62 111.03 3kqz n SER 498 Ca 0.18 0.14 -0.35 0.00 -1.33 0.00 0.00 58.87 57.51 3kqz n SER 498 Cb 0.36 -0.37 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kqz s TYR 499 N -2.24 3.31 0.58 0.66 4.12 -1.26 -4.57 117.35 117.95 3kqz s TYR 499 Ca -0.18 0.23 -0.07 0.00 0.02 0.00 0.00 57.07 57.07 3kqz s TYR 499 Cb 0.07 -1.95 -0.01 0.00 -1.52 0.00 0.00 41.96 38.55 3kqz s TYR 499 CO 0.24 0.41 0.91 0.00 0.02 0.00 0.00 175.55 177.13 3kqz s ALA 500 N -0.42 3.25 -0.14 3.71 0.00 -0.54 -4.57 121.76 123.05 3kqz s ALA 500 Ca 0.09 -0.53 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 3kqz s ALA 500 Cb -0.12 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 3kqz s ALA 500 CO 0.02 -0.71 0.12 0.20 0.00 0.00 0.00 175.76 175.39 3kqz s GLY 501 N -4.25 2.09 -0.10 0.00 0.00 -1.01 -0.46 107.32 103.60 3kqz s GLY 501 Ca 0.53 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.62 3kqz s GLY 501 CO 0.47 -0.22 -0.24 0.54 0.00 0.00 0.00 173.10 173.65 3kqz s VAL 502 N -0.55 2.10 0.16 1.40 0.11 -0.39 -0.28 120.40 122.95 3kqz s VAL 502 Ca 0.12 -1.01 0.09 0.00 -2.93 0.00 0.00 61.98 58.25 3kqz s VAL 502 Cb -0.12 -1.80 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 3kqz s VAL 502 CO 0.02 0.56 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.79 3kqz s PHE 503 N 0.33 1.91 0.15 1.54 0.08 -0.48 -0.77 117.98 120.74 3kqz s PHE 503 Ca -0.18 -0.44 -0.25 0.00 0.12 0.00 0.00 56.93 56.17 3kqz s PHE 503 Cb -0.18 -0.96 0.06 0.00 -0.57 0.00 0.00 43.02 41.37 3kqz s PHE 503 CO 0.09 0.34 0.95 0.20 -0.10 0.00 0.00 175.22 176.70 3kqz s GLY 504 N -2.56 -0.23 -0.26 4.36 0.00 -1.26 0.57 107.32 107.94 3kqz s GLY 504 Ca 0.15 0.13 0.13 0.00 0.00 0.00 0.00 44.72 45.14 3kqz s GLY 504 CO 0.07 0.01 1.66 1.16 0.00 0.00 0.00 173.10 176.00 3kqz n ASN 505 N -0.46 4.67 -3.40 1.64 0.23 -0.21 -4.78 115.26 112.95 3kqz n ASN 505 Ca -0.06 -3.12 0.02 0.00 -0.53 0.00 0.00 54.58 50.88 3kqz n ASN 505 Cb 0.61 -0.66 -0.03 0.00 -2.08 0.00 0.00 39.78 37.61 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 -1.34 -1.01 0.20 0.53 3.84 -1.26 -4.80 114.94 111.10 3kqz s ASN 506 Ca 0.51 1.07 -0.06 0.00 0.21 0.00 0.00 52.86 54.58 3kqz s ASN 506 Cb 0.40 2.02 0.14 0.00 -0.55 0.00 0.00 41.25 43.26 3kqz s ASN 506 CO 0.12 -0.19 1.63 -0.08 -2.79 0.00 0.00 177.10 175.79 3kqz h GLU 507 N 7.88 0.91 -0.25 0.43 4.81 -1.96 -1.67 114.58 124.74 3kqz h GLU 507 Ca -0.18 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 3kqz h GLU 507 Cb 1.13 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3kqz h GLU 507 CO 0.12 0.98 0.10 0.93 -0.73 0.00 0.00 179.01 180.41 3kqz h GLU 508 N 0.81 0.38 -0.84 1.92 3.07 -1.98 -0.05 114.58 117.88 3kqz h GLU 508 Ca 0.13 -0.07 0.05 0.00 -0.50 0.00 0.00 59.36 58.97 3kqz h GLU 508 Cb 0.66 -0.06 -0.06 0.00 -0.84 0.00 0.00 28.75 28.45 3kqz h GLU 508 CO 0.05 0.42 0.53 1.25 -1.40 0.00 0.00 179.01 179.86 3kqz h LEU 509 N 0.25 0.85 -0.46 1.33 5.85 -1.90 0.20 115.31 121.44 3kqz h LEU 509 Ca 0.08 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.69 3kqz h LEU 509 Cb 0.19 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3kqz h LEU 509 CO -0.01 0.56 -0.21 0.40 -0.34 0.00 0.00 178.44 178.85 3kqz h ILE 510 N 0.99 1.27 -0.49 4.05 2.04 -0.86 -0.90 117.51 123.61 3kqz h ILE 510 Ca 0.36 -1.36 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 3kqz h ILE 510 Cb 0.11 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3kqz h ILE 510 CO -0.15 0.47 0.09 0.78 0.00 0.00 0.00 178.15 179.34 3kqz h ASN 511 N 0.78 0.71 -0.59 1.72 2.35 -0.61 -0.36 115.58 119.58 3kqz h ASN 511 Ca 0.10 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3kqz h ASN 511 Cb 0.78 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.94 3kqz h ASN 511 CO 0.06 0.72 0.29 0.11 -1.65 0.00 0.00 177.43 176.96 3kqz h LYS 512 N 0.73 0.84 -0.69 0.81 1.57 0.25 -0.73 116.57 119.34 3kqz h LYS 512 Ca 0.16 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3kqz h LYS 512 Cb 0.31 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3kqz h LYS 512 CO 0.00 0.67 0.29 0.82 -0.57 0.00 0.00 179.45 180.66 3kqz h ILE 513 N 0.80 1.24 -0.53 1.86 2.04 -0.82 0.15 117.51 122.24 3kqz h ILE 513 Ca 0.20 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.26 3kqz h ILE 513 Cb 0.10 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 3kqz h ILE 513 CO -0.03 0.30 0.06 -0.07 0.00 0.00 0.00 178.15 178.41 3kqz h LEU 514 N 0.97 0.81 0.25 1.44 3.38 -0.75 0.29 115.31 121.70 3kqz h LEU 514 Ca 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3kqz h LEU 514 Cb 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kqz h LEU 514 CO -0.02 0.84 -0.12 1.56 0.09 0.00 0.00 178.44 180.78 3kqz h GLN 515 N 0.81 -0.33 -0.41 1.13 4.20 -0.73 -0.87 115.11 118.92 3kqz h GLN 515 Ca 0.17 0.02 0.10 0.00 0.06 0.00 0.00 58.65 59.00 3kqz h GLN 515 Cb 0.39 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 3kqz h GLN 515 CO 0.01 -0.22 0.29 0.77 -0.67 0.00 0.00 178.83 179.01 3kqz h SER 516 N -0.34 0.09 -0.62 1.46 0.02 -0.74 0.17 113.55 113.59 3kqz h SER 516 Ca -0.03 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.87 3kqz h SER 516 Cb 0.26 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.76 3kqz h SER 516 CO 0.06 0.05 0.20 -1.28 -1.14 0.00 0.00 176.83 174.72 3kqz h SER 517 N 0.10 0.92 -0.20 3.07 0.87 0.64 -1.53 113.55 117.42 3kqz h SER 517 Ca 0.19 -0.16 -0.20 0.00 -1.23 0.00 0.00 61.79 60.39 3kqz h SER 517 Cb 0.63 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 3kqz h SER 517 CO -0.02 0.87 -0.63 0.11 -0.53 0.00 0.00 176.83 176.63 3kqz h LYS 518 N 0.96 0.81 0.00 2.24 6.56 0.60 -1.29 116.57 126.45 3kqz h LYS 518 Ca 0.21 -0.56 -0.04 0.00 -1.06 0.00 0.00 60.65 59.20 3kqz h LYS 518 Cb 0.28 0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.02 3kqz h LYS 518 CO -0.01 1.19 -0.71 1.79 -2.06 0.00 0.00 179.45 179.64 3kqz h THR 519 N 0.60 0.20 0.00 -0.16 1.35 -1.14 -3.21 112.91 110.56 3kqz h THR 519 Ca -0.01 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 64.51 3kqz h THR 519 Cb 1.23 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3kqz h THR 519 CO 0.13 0.12 -0.84 -1.54 -0.25 0.00 0.00 175.52 173.14 3kqz n SER 520 N -2.91 0.63 -2.28 5.36 3.41 -0.58 -4.82 113.62 112.42 3kqz n SER 520 Ca -0.00 -0.20 -0.16 0.00 -0.26 0.00 0.00 58.87 58.25 3kqz n SER 520 Cb 0.62 0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 65.13 3kqz n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqz n ASN 521 N -1.87 -4.69 -4.32 4.04 3.02 -0.50 -4.85 115.26 106.10 3kqz n ASN 521 Ca 0.03 0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.30 3kqz n ASN 521 Cb 0.41 -3.98 -0.08 0.00 -0.61 0.00 0.00 39.78 35.52 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 -4.78 2.81 0.19 3.52 2.02 -1.12 -4.86 118.70 116.49 3kqz s GLU 522 Ca 0.00 -1.49 -0.30 0.00 0.02 0.00 0.00 54.97 53.20 3kqz s GLU 522 Cb 0.00 -4.03 -0.08 0.00 0.10 0.00 0.00 34.13 30.12 3kqz s GLU 522 CO 0.00 -1.08 1.03 -1.25 0.02 0.00 0.00 175.26 173.98 3kqz s PRO 523 N 1.53 4.69 -0.01 0.39 0.04 -1.26 -4.55 135.00 135.83 3kqz s PRO 523 Ca 0.04 1.61 -0.02 0.00 0.04 0.00 0.00 61.00 62.67 3kqz s PRO 523 Cb -0.25 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.00 3kqz s PRO 523 CO 0.04 0.24 0.05 0.08 0.04 0.00 0.00 177.00 177.45 3kqz s VAL 524 N -0.56 0.03 0.01 -0.36 1.01 -1.26 -1.47 120.40 117.80 3kqz s VAL 524 Ca 0.46 -0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.24 3kqz s VAL 524 Cb -0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 3kqz s VAL 524 CO 0.34 -0.13 -0.14 0.86 0.00 0.00 0.00 175.10 176.02 3kqz s TRP 525 N -0.39 1.25 -0.14 5.22 -0.11 0.39 -4.88 118.94 120.28 3kqz s TRP 525 Ca -0.05 -0.29 -0.26 0.00 1.22 0.00 0.00 56.10 56.72 3kqz s TRP 525 Cb -0.03 -0.78 -0.02 0.00 -1.50 0.00 0.00 33.47 31.15 3kqz s TRP 525 CO 0.00 0.01 0.86 -0.46 -4.62 0.00 0.00 176.95 172.73 3kqz s TRP 526 N -0.57 3.47 0.16 5.86 -0.00 -1.26 -1.26 118.94 125.34 3kqz s TRP 526 Ca 0.04 1.34 0.09 0.00 -0.00 0.00 0.00 56.10 57.57 3kqz s TRP 526 Cb -0.06 -3.03 -0.04 0.00 -0.00 0.00 0.00 33.47 30.34 3kqz s TRP 526 CO 0.00 -0.19 -0.21 -0.51 -0.00 0.00 0.00 176.95 176.05 3kqz s LEU 527 N 1.90 2.40 0.17 5.86 1.43 0.05 -4.92 118.68 125.57 3kqz s LEU 527 Ca 0.41 -0.82 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 3kqz s LEU 527 Cb -0.17 -0.96 -0.07 0.00 0.03 0.00 0.00 46.19 45.02 3kqz s LEU 527 CO 0.15 0.04 0.56 -2.16 0.23 0.00 0.00 176.35 175.17 3kqz s PRO 528 N -2.52 3.96 -0.66 1.29 0.04 -1.26 -4.27 135.00 131.57 3kqz s PRO 528 Ca 0.15 0.47 -0.20 0.00 0.04 0.00 0.00 61.00 61.46 3kqz s PRO 528 Cb -0.08 -2.86 0.10 0.00 0.04 0.00 0.00 34.50 31.70 3kqz s PRO 528 CO 0.07 0.44 0.85 0.42 0.04 0.00 0.00 177.00 178.81 3kqz s ILE 529 N -1.55 4.66 -0.36 0.56 1.01 -1.26 -4.82 121.20 119.45 3kqz s ILE 529 Ca 0.40 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3kqz s ILE 529 Cb -0.14 -4.59 0.01 0.00 0.01 0.00 0.00 42.46 37.75 3kqz s ILE 529 CO 0.19 -1.29 1.20 -0.63 0.00 0.00 0.00 174.94 174.41 3kqz s ILE 530 N 3.09 4.26 0.36 2.92 1.01 -1.26 -4.95 121.20 126.63 3kqz s ILE 530 Ca 0.18 1.40 0.13 0.00 0.00 0.00 0.00 60.65 62.36 3kqz s ILE 530 Cb -0.19 -4.35 0.09 0.00 0.01 0.00 0.00 42.46 38.02 3kqz s ILE 530 CO 0.05 -0.62 1.81 0.78 0.00 0.00 0.00 174.94 176.96 3kqz h ASN 531 N 8.97 0.00 0.02 3.58 2.35 -2.00 -2.16 115.58 126.34 3kqz h ASN 531 Ca -0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3kqz h ASN 531 Cb 1.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.45 3kqz h ASN 531 CO 1.06 0.39 0.00 -0.33 -1.65 0.00 0.00 177.43 176.89 3kqz h GLU 532 N 0.00 0.00 0.00 0.81 3.07 -2.04 -1.19 114.58 115.23 3kqz h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kqz h GLU 532 Cb 0.70 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 3kqz h GLU 532 CO 0.05 0.00 -0.61 1.88 -1.40 0.00 0.00 179.01 178.93 3kqz h TYR 533 N 0.00 0.00 -0.91 4.33 0.99 -1.81 -3.38 116.97 116.19 3kqz h TYR 533 Ca 0.00 0.00 0.15 0.00 2.00 0.00 0.00 58.73 60.88 3kqz h TYR 533 Cb 0.01 0.00 -0.16 0.00 1.00 0.00 0.00 36.73 37.58 3kqz h TYR 533 CO 0.00 0.00 -0.31 -2.13 -0.00 0.00 0.00 178.16 175.72 3kqz n ARG 534 N -2.35 -0.17 0.28 4.88 3.00 -0.45 -0.88 116.66 120.98 3kqz n ARG 534 Ca 0.03 1.40 0.16 0.00 -0.00 0.00 0.00 57.85 59.44 3kqz n ARG 534 Cb 0.47 -2.09 0.84 0.00 0.00 0.00 0.00 32.46 31.68 3kqz n ARG 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3kqz h ALA 535 N 1.45 1.16 0.00 5.13 0.00 -1.77 0.25 119.26 125.48 3kqz h ALA 535 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3kqz h ALA 535 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3kqz h ALA 535 CO -0.91 -0.16 0.00 0.25 0.00 0.00 0.00 179.25 178.43 3kqz n THR 536 N -2.72 0.43 0.84 0.00 -2.24 -0.06 -1.98 114.28 108.56 3kqz n THR 536 Ca -0.02 -0.01 0.06 0.00 -2.27 0.00 0.00 64.05 61.80 3kqz n THR 536 Cb 0.22 -0.68 0.16 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.80 1.95 -4.54 3.22 4.77 0.90 -4.53 117.00 116.97 3kqz n LEU 537 Ca 0.05 -0.98 -0.43 0.00 -0.03 0.00 0.00 56.01 54.63 3kqz n LEU 537 Cb 0.32 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 3kqz n LEU 537 CO 0.25 0.48 0.88 0.20 -1.33 0.00 0.00 177.39 177.86 3kqz s ASN 538 N -0.98 6.34 0.28 -1.43 0.01 -0.84 -0.32 114.94 118.01 3kqz s ASN 538 Ca 0.24 -0.28 -0.27 0.00 -0.71 0.00 0.00 52.86 51.84 3kqz s ASN 538 Cb 0.13 -2.48 -0.09 0.00 0.41 0.00 0.00 41.25 39.21 3kqz s ASN 538 CO 0.16 -1.36 0.92 -0.55 -1.51 0.00 0.00 177.10 174.76 3kqz s SER 539 N 3.01 7.44 0.28 -1.22 0.15 -1.26 -4.82 113.70 117.28 3kqz s SER 539 Ca 0.34 1.85 -0.02 0.00 0.70 0.00 0.00 55.95 58.82 3kqz s SER 539 Cb -0.11 -2.58 0.44 0.00 -1.71 0.00 0.00 66.02 62.06 3kqz s SER 539 CO 0.20 0.03 1.91 0.50 1.20 0.00 0.00 173.24 177.08 3kqz h LYS 540 N 3.58 1.10 0.00 5.44 1.63 -1.96 -3.38 116.57 122.99 3kqz h LYS 540 Ca -0.46 -0.07 -0.21 0.00 -0.85 0.00 0.00 60.65 59.07 3kqz h LYS 540 Cb 1.20 -0.25 -0.04 0.00 -0.60 0.00 0.00 32.23 32.54 3kqz h LYS 540 CO 0.66 0.73 -1.78 0.66 -3.45 0.00 0.00 179.45 176.27 3kqz n TYR 541 N -4.46 0.00 -2.92 1.91 4.01 -1.26 -5.05 117.16 109.38 3kqz n TYR 541 Ca 0.13 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.69 3kqz n TYR 541 Cb 0.14 -0.53 0.03 0.00 -0.31 0.00 0.00 39.34 38.67 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 -2.27 4.41 0.23 -0.72 0.00 -1.26 -5.00 121.76 117.15 3kqz s ALA 542 Ca -0.16 -1.74 -0.06 0.00 0.00 0.00 0.00 51.96 50.01 3kqz s ALA 542 Cb 0.04 -1.69 0.23 0.00 0.00 0.00 0.00 23.12 21.71 3kqz s ALA 542 CO 0.35 -0.59 1.80 -0.44 0.00 0.00 0.00 175.76 176.88 3kqz h ASP 543 N 0.34 1.03 -4.95 0.00 3.32 -1.69 -3.37 116.42 111.09 3kqz h ASP 543 Ca -0.37 -0.16 -0.13 0.00 0.02 0.00 0.00 57.03 56.39 3kqz h ASP 543 Cb 1.28 -0.27 -0.20 0.00 0.22 0.00 0.00 39.33 40.36 3kqz h ASP 543 CO 0.45 0.91 -0.40 -0.51 -1.72 0.00 0.00 179.24 177.97 3kqz s ILE 544 N -5.50 0.07 0.37 0.35 2.07 -0.77 -4.35 121.20 113.44 3kqz s ILE 544 Ca -0.12 -0.58 -0.19 0.00 -1.41 0.00 0.00 60.65 58.35 3kqz s ILE 544 Cb 0.16 -0.51 -0.10 0.00 0.13 0.00 0.00 42.46 42.14 3kqz s ILE 544 CO 0.83 -0.32 0.85 0.20 -1.91 0.00 0.00 174.94 174.59 3kqz s ASN 545 N -1.33 6.90 0.08 4.50 0.01 0.56 -1.26 114.94 124.40 3kqz s ASN 545 Ca -0.14 1.52 -0.06 0.00 -0.71 0.00 0.00 52.86 53.47 3kqz s ASN 545 Cb -0.06 -2.47 -0.27 0.00 0.41 0.00 0.00 41.25 38.86 3kqz s ASN 545 CO 0.03 -0.26 1.15 -0.61 -1.51 0.00 0.00 177.10 175.89 3kqz h GLN 546 N 2.19 0.33 -4.56 -0.60 4.15 -1.50 -3.46 115.11 111.67 3kqz h GLN 546 Ca -0.48 -0.52 -0.20 0.00 0.77 0.00 0.00 58.65 58.21 3kqz h GLN 546 Cb 1.18 0.19 -0.15 0.00 0.21 0.00 0.00 27.48 28.91 3kqz h GLN 546 CO 0.63 1.23 -0.69 0.96 -1.93 0.00 0.00 178.83 179.04 3kqz s ILE 547 N -2.74 0.55 0.31 2.39 -4.36 -1.26 -4.89 121.20 111.20 3kqz s ILE 547 Ca -0.05 -1.91 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 3kqz s ILE 547 Cb 0.07 -1.69 -0.09 0.00 1.25 0.00 0.00 42.46 41.99 3kqz s ILE 547 CO 0.89 -0.86 0.79 -0.55 0.24 0.00 0.00 174.94 175.45 3kqz s SER 548 N -3.02 6.92 0.04 4.36 0.15 -1.26 -4.76 113.70 116.12 3kqz s SER 548 Ca 0.12 1.43 0.22 0.00 0.70 0.00 0.00 55.95 58.43 3kqz s SER 548 Cb 0.06 -2.43 -0.16 0.00 -1.71 0.00 0.00 66.02 61.78 3kqz s SER 548 CO -0.05 -0.16 0.78 -1.54 1.20 0.00 0.00 173.24 173.47 3kqz n SER 549 N -0.05 0.43 0.00 5.45 3.41 -1.26 -4.75 113.62 116.85 3kqz n SER 549 Ca 0.02 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3kqz n SER 549 Cb 0.52 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 3kqz n SER 549 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kqz n SER 550 N -2.18 0.00 -4.69 4.04 3.41 -1.26 -4.98 113.62 107.97 3kqz n SER 550 Ca -0.01 0.09 -0.53 0.00 -0.26 0.00 0.00 58.87 58.16 3kqz n SER 550 Cb 0.50 -0.48 -0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3kqz n SER 550 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3kqz n VAL 551 N -2.36 0.42 0.37 -3.33 0.31 -1.26 -4.86 118.33 107.62 3kqz n VAL 551 Ca 0.00 -0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.37 3kqz n VAL 551 Cb 0.00 -1.52 0.32 0.00 -0.91 0.00 0.00 33.84 31.73 3kqz n VAL 551 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kqz h LYS 552 N 8.30 0.00 -3.83 5.55 6.56 -1.95 -3.40 116.57 127.80 3kqz h LYS 552 Ca -0.46 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.61 3kqz h LYS 552 Cb 1.30 0.00 0.03 0.00 -0.57 0.00 0.00 32.23 32.98 3kqz h LYS 552 CO 0.96 0.00 2.61 0.00 -2.06 0.00 0.00 179.45 180.96 3kqz n ALA 553 N -1.98 4.44 -0.29 3.86 0.00 -1.26 -4.76 120.51 120.51 3kqz n ALA 553 Ca 0.04 -2.70 0.11 0.00 0.00 0.00 0.00 53.44 50.89 3kqz n ALA 553 Cb 0.46 -3.29 0.25 0.00 0.00 0.00 0.00 19.45 16.87 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 6.78 -0.15 0.40 0.00 0.02 -1.97 -0.22 113.55 118.41 3kqz h SER 554 Ca 0.50 0.21 -0.11 0.00 -0.84 0.00 0.00 61.79 61.54 3kqz h SER 554 Cb 0.39 0.31 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 3kqz h SER 554 CO 1.69 -0.18 -0.47 0.28 -1.14 0.00 0.00 176.83 177.00 3kqz h SER 555 N 0.16 0.10 0.01 3.07 0.02 -1.94 0.25 113.55 115.23 3kqz h SER 555 Ca 0.52 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.34 3kqz h SER 555 Cb 1.02 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 63.54 3kqz h SER 555 CO -0.69 0.56 -0.32 0.40 -1.14 0.00 0.00 176.83 175.65 3kqz h ILE 556 N 0.08 1.56 -0.89 3.27 2.04 -1.41 -2.72 117.51 119.45 3kqz h ILE 556 Ca 0.00 -2.07 0.08 0.00 1.00 0.00 0.00 64.86 63.88 3kqz h ILE 556 Cb 0.87 2.87 -0.07 0.00 -0.74 0.00 0.00 36.82 39.75 3kqz h ILE 556 CO 0.07 0.57 0.54 0.58 0.00 0.00 0.00 178.15 179.91 3kqz h VAL 557 N -0.50 0.98 -0.61 1.67 2.07 -0.97 0.11 116.25 119.00 3kqz h VAL 557 Ca -0.04 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3kqz h VAL 557 Cb 1.11 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3kqz h VAL 557 CO 0.06 0.17 0.26 0.00 0.02 0.00 0.00 177.57 178.08 3kqz h ALA 558 N 1.45 1.32 -0.21 1.67 0.00 -0.56 -0.48 119.26 122.45 3kqz h ALA 558 Ca 0.41 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3kqz h ALA 558 Cb 0.30 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3kqz h ALA 558 CO -0.22 0.51 -0.12 0.77 0.00 0.00 0.00 179.25 180.20 3kqz h SER 559 N 0.86 0.47 -0.46 0.00 0.02 -0.97 -1.56 113.55 111.92 3kqz h SER 559 Ca 0.21 -0.42 0.08 0.00 -0.84 0.00 0.00 61.79 60.82 3kqz h SER 559 Cb 0.14 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 3kqz h SER 559 CO -0.02 0.79 0.04 -0.07 -1.14 0.00 0.00 176.83 176.44 3kqz h LEU 560 N 0.16 -0.10 -0.31 5.07 3.38 -0.44 0.13 115.31 123.19 3kqz h LEU 560 Ca 0.05 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3kqz h LEU 560 Cb 0.62 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 3kqz h LEU 560 CO 0.03 -0.02 0.02 0.15 0.09 0.00 0.00 178.44 178.71 3kqz h PHE 561 N 0.16 0.01 -0.67 1.13 3.04 -0.97 -2.37 116.94 117.28 3kqz h PHE 561 Ca 0.23 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.16 3kqz h PHE 561 Cb 0.32 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 3kqz h PHE 561 CO -0.26 -0.04 0.28 -0.07 -2.02 0.00 0.00 178.31 176.21 3kqz h LEU 562 N 0.11 0.92 -2.01 0.59 3.38 -0.72 -2.32 115.31 115.27 3kqz h LEU 562 Ca 0.15 -0.16 0.16 0.00 0.09 0.00 0.00 57.88 58.11 3kqz h LEU 562 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3kqz h LEU 562 CO -0.24 0.83 0.43 0.50 0.09 0.00 0.00 178.44 180.05 3kqz h LYS 563 N 0.95 0.00 0.00 1.13 3.64 -0.46 0.34 116.57 122.17 3kqz h LYS 563 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3kqz h LYS 563 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3kqz h LYS 563 CO -0.02 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.55 3kqz n GLU 564 N -4.15 0.14 -0.21 1.90 -0.58 -0.87 -2.58 120.64 114.29 3kqz n GLU 564 Ca 0.10 0.43 0.10 0.00 -0.42 0.00 0.00 57.16 57.38 3kqz n GLU 564 Cb 0.65 -1.80 0.21 0.00 -0.57 0.00 0.00 31.44 29.94 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 -2.06 0.55 -3.91 -0.32 3.01 0.12 -4.82 117.46 110.03 3kqz n PHE 565 Ca 0.02 -0.32 -0.28 0.00 1.01 0.00 0.00 57.45 57.88 3kqz n PHE 565 Cb 0.17 -0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.47 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 -1.25 1.13 -0.22 -4.37 1.01 -1.06 -3.90 120.40 111.74 3kqz s VAL 566 Ca 0.36 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.71 3kqz s VAL 566 Cb 0.20 -1.21 -0.18 0.00 0.00 0.00 0.00 36.38 35.19 3kqz s VAL 566 CO 0.28 0.26 0.00 0.00 0.00 0.00 0.00 175.10 175.64 3kqz n GLN 567 N 4.89 0.62 -0.90 2.72 1.13 -1.26 -4.75 117.38 119.83 3kqz n GLN 567 Ca -0.13 0.36 0.02 0.00 -1.94 0.00 0.00 57.00 55.32 3kqz n GLN 567 Cb 0.49 -1.63 0.02 0.00 0.11 0.00 0.00 30.24 29.23 3kqz n GLN 567 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3kqz n ASN 568 N -4.03 0.52 -4.12 1.08 5.15 -1.26 -5.06 115.26 107.54 3kqz n ASN 568 Ca -0.41 -2.08 -0.23 0.00 -0.60 0.00 0.00 54.58 51.26 3kqz n ASN 568 Cb 0.86 -0.26 -0.15 0.00 -0.53 0.00 0.00 39.78 39.70 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kqz s THR 569 N -0.16 1.19 0.04 -0.44 2.01 -1.26 -5.08 115.64 111.94 3kqz s THR 569 Ca 0.16 -0.64 -0.33 0.00 0.31 0.00 0.00 61.69 61.20 3kqz s THR 569 Cb 0.18 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.58 3kqz s THR 569 CO -0.07 0.34 1.84 0.00 -0.69 0.00 0.00 174.62 176.03 3kqz n ALA 570 N 2.77 1.48 -2.91 7.40 0.00 -1.25 -4.93 120.51 123.07 3kqz n ALA 570 Ca -0.15 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 3kqz n ALA 570 Cb 0.55 -2.54 -0.13 0.00 0.00 0.00 0.00 19.45 17.32 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 3.22 -0.02 0.07 0.00 -0.00 -1.26 -1.54 118.94 119.41 3kqz s TRP 571 Ca 0.87 0.06 0.02 0.00 -0.00 0.00 0.00 56.10 57.05 3kqz s TRP 571 Cb -0.58 0.00 -0.03 0.00 -0.00 0.00 0.00 33.47 32.86 3kqz s TRP 571 CO 0.43 -0.03 -0.07 0.00 -0.00 0.00 0.00 176.95 177.29 3kqz s ALA 572 N -0.07 0.76 -0.04 5.86 0.00 -0.41 -1.04 121.76 126.81 3kqz s ALA 572 Ca -0.01 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.85 3kqz s ALA 572 Cb -0.01 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.26 3kqz s ALA 572 CO 0.00 -0.16 0.01 -1.58 0.00 0.00 0.00 175.76 174.03 3kqz s HIS 573 N -2.72 0.39 -0.24 0.00 5.04 0.19 -1.33 115.29 116.62 3kqz s HIS 573 Ca 0.02 -0.01 -0.04 0.00 -1.54 0.00 0.00 55.06 53.49 3kqz s HIS 573 Cb -0.01 -0.54 0.00 0.00 0.04 0.00 0.00 32.58 32.08 3kqz s HIS 573 CO -0.03 -0.20 -0.02 0.42 -2.34 0.00 0.00 174.74 172.57 3kqz s ILE 574 N 1.46 3.36 -0.51 0.89 1.01 0.91 -1.38 121.20 126.94 3kqz s ILE 574 Ca -0.03 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 59.76 3kqz s ILE 574 Cb -0.13 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 39.78 3kqz s ILE 574 CO -0.03 0.30 0.66 -0.62 0.00 0.00 0.00 174.94 175.26 3kqz s ASP 575 N 1.45 6.24 -0.12 3.58 -1.08 0.62 -1.14 116.67 126.22 3kqz s ASP 575 Ca 0.04 -0.80 0.16 0.00 -0.52 0.00 0.00 52.55 51.42 3kqz s ASP 575 Cb -0.15 -2.31 0.57 0.00 -1.46 0.00 0.00 42.92 39.57 3kqz s ASP 575 CO -0.03 -0.92 1.49 2.30 0.52 0.00 0.00 175.17 178.53 3kqz n ILE 576 N 5.70 1.88 -0.35 4.11 -5.35 -0.06 -2.40 119.36 122.90 3kqz n ILE 576 Ca -0.05 -1.39 0.10 0.00 -0.27 0.00 0.00 62.75 61.14 3kqz n ILE 576 Cb 0.46 0.05 0.28 0.00 -1.74 0.00 0.00 39.64 38.69 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 2.87 1.55 0.00 -1.28 0.00 -1.83 -0.19 119.26 120.37 3kqz h ALA 577 Ca 0.00 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3kqz h ALA 577 Cb 1.33 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kqz h ALA 577 CO 0.20 0.03 -0.63 0.78 0.00 0.00 0.00 179.25 179.63 3kqz h GLY 578 N 0.81 0.00 -0.05 0.00 0.00 -1.81 -3.38 103.07 98.64 3kqz h GLY 578 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 3kqz h GLY 578 CO -0.34 0.00 -0.52 3.33 0.00 0.00 0.00 176.54 179.01 3kqz n VAL 579 N -2.90 0.00 -0.04 4.60 0.24 -0.69 -3.99 118.33 115.55 3kqz n VAL 579 Ca 0.01 -0.24 -0.17 0.00 -2.04 0.00 0.00 64.34 61.90 3kqz n VAL 579 Cb 0.59 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 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 0.12 0.89 -3.15 -1.34 0.87 -1.25 -3.43 113.55 106.26 3kqz h SER 580 Ca 0.00 -0.61 -0.61 0.00 -1.23 0.00 0.00 61.79 59.34 3kqz h SER 580 Cb 0.29 -0.26 -0.11 0.00 -0.44 0.00 0.00 62.40 61.88 3kqz h SER 580 CO 0.00 1.35 -0.49 0.86 -0.53 0.00 0.00 176.83 178.02 3kqz s TRP 581 N -3.82 3.45 -0.78 2.24 -0.11 -1.26 -0.04 118.94 118.61 3kqz s TRP 581 Ca -0.11 0.37 -0.19 0.00 1.22 0.00 0.00 56.10 57.39 3kqz s TRP 581 Cb 0.08 -2.12 0.12 0.00 -1.50 0.00 0.00 33.47 30.05 3kqz s TRP 581 CO 0.89 0.37 0.96 1.21 -4.62 0.00 0.00 176.95 175.77 3kqz s ASN 582 N 0.10 6.43 0.29 5.86 3.84 0.20 -4.85 114.94 126.81 3kqz s ASN 582 Ca 0.09 -1.70 -0.02 0.00 0.21 0.00 0.00 52.86 51.44 3kqz s ASN 582 Cb -0.11 -2.37 0.43 0.00 -0.55 0.00 0.00 41.25 38.65 3kqz s ASN 582 CO -0.01 -1.13 1.94 -0.26 -2.79 0.00 0.00 177.10 174.86 3kqz h PHE 583 N 9.01 1.09 -0.75 0.43 -1.00 -1.96 0.55 116.94 124.31 3kqz h PHE 583 Ca -0.06 0.03 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 3kqz h PHE 583 Cb 1.05 -0.37 -0.03 0.00 3.61 0.00 0.00 35.95 40.21 3kqz h PHE 583 CO 1.03 0.65 0.24 -0.22 -1.61 0.00 0.00 178.31 178.41 3kqz h LYS 584 N 1.14 1.16 -0.01 1.51 1.63 -1.95 -3.14 116.57 116.92 3kqz h LYS 584 Ca 0.34 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3kqz h LYS 584 Cb -0.04 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.42 3kqz h LYS 584 CO -0.09 0.98 -0.45 0.00 -3.45 0.00 0.00 179.45 176.44 3kqz n ALA 585 N -2.45 3.50 -3.54 5.00 0.00 -0.88 -4.97 120.51 117.18 3kqz n ALA 585 Ca 0.06 -0.53 -0.21 0.00 0.00 0.00 0.00 53.44 52.76 3kqz n ALA 585 Cb 0.23 -0.94 0.08 0.00 0.00 0.00 0.00 19.45 18.82 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 -0.50 -7.40 -3.90 0.00 1.74 0.19 -4.98 116.66 101.81 3kqz n ARG 586 Ca 0.10 0.83 -0.10 0.00 -0.77 0.00 0.00 57.85 57.90 3kqz n ARG 586 Cb 0.40 -5.86 0.00 0.00 -1.02 0.00 0.00 32.46 25.98 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 -5.96 2.10 0.60 5.56 -2.85 -1.04 -5.02 119.74 113.13 3kqz s LYS 587 Ca 0.36 -1.49 -0.05 0.00 -1.00 0.00 0.00 55.97 53.79 3kqz s LYS 587 Cb -0.16 0.57 0.02 0.00 -2.06 0.00 0.00 37.83 36.20 3kqz s LYS 587 CO 0.73 -0.95 0.89 -1.25 0.10 0.00 0.00 175.35 174.88 3kqz s PRO 588 N -2.68 2.72 0.13 1.78 0.05 -1.26 0.63 135.00 136.37 3kqz s PRO 588 Ca 0.20 -0.20 0.22 0.00 0.05 0.00 0.00 61.00 61.27 3kqz s PRO 588 Cb -0.04 -2.30 -0.06 0.00 0.05 0.00 0.00 34.50 32.16 3kqz s PRO 588 CO 0.14 -0.79 0.93 1.63 0.05 0.00 0.00 177.00 178.95 3kqz n LYS 589 N -2.59 0.57 -1.97 4.56 5.02 0.94 -4.61 118.16 120.09 3kqz n LYS 589 Ca 0.05 0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.23 3kqz n LYS 589 Cb 0.58 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 3kqz n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kqz n GLY 590 N 1.22 0.44 3.69 0.72 0.00 -1.26 -4.91 105.19 105.09 3kqz n GLY 590 Ca -0.01 -0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.31 3kqz n GLY 590 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3kqz n PHE 591 N -3.45 2.44 0.00 1.61 7.35 -1.26 -3.10 117.46 121.04 3kqz n PHE 591 Ca -0.17 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.68 3kqz n PHE 591 Cb 0.59 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.82 3kqz n PHE 591 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kqz n GLY 592 N 3.67 1.42 0.51 7.13 0.00 -1.26 -4.74 105.19 111.92 3kqz n GLY 592 Ca 0.17 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 0.04 -0.68 1.61 2.07 -1.73 0.66 116.25 118.22 3kqz h VAL 593 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3kqz h VAL 593 Cb 0.00 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 3kqz h VAL 593 CO 0.00 0.00 0.17 0.03 0.02 0.00 0.00 177.57 177.79 3kqz h ARG 594 N -1.15 1.08 -0.27 1.57 3.08 -1.89 -0.46 114.38 116.34 3kqz h ARG 594 Ca -0.10 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 59.77 3kqz h ARG 594 Cb 0.93 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 30.77 3kqz h ARG 594 CO 0.08 0.95 -0.19 1.25 -1.07 0.00 0.00 179.97 180.99 3kqz h LEU 595 N 1.03 -0.63 -0.77 3.04 5.85 -1.79 0.35 115.31 122.40 3kqz h LEU 595 Ca 0.22 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.98 3kqz h LEU 595 Cb 0.36 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3kqz h LEU 595 CO 0.00 -0.23 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.39 3kqz h LEU 596 N -0.18 0.00 -0.01 2.25 3.38 -0.41 -1.19 115.31 119.15 3kqz h LEU 596 Ca 0.15 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.96 3kqz h LEU 596 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3kqz h LEU 596 CO -0.38 0.41 -0.59 0.74 0.09 0.00 0.00 178.44 178.72 3kqz h THR 597 N 0.00 1.42 -0.84 0.22 2.02 -0.64 -2.43 112.91 112.66 3kqz h THR 597 Ca -0.00 -2.05 0.06 0.00 0.77 0.00 0.00 66.41 65.19 3kqz h THR 597 Cb 1.00 2.55 -0.05 0.00 -1.74 0.00 0.00 68.15 69.91 3kqz h THR 597 CO 0.05 0.60 0.55 -0.33 0.37 0.00 0.00 175.52 176.76 3kqz h GLU 598 N -0.08 0.91 -0.51 6.66 4.39 -0.12 -1.09 114.58 124.74 3kqz h GLU 598 Ca -0.07 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3kqz h GLU 598 Cb 1.29 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.71 3kqz h GLU 598 CO 0.12 0.60 0.32 0.35 -1.16 0.00 0.00 179.01 179.24 3kqz h PHE 599 N 0.94 0.66 -0.22 4.33 3.57 -1.19 -1.08 116.94 123.95 3kqz h PHE 599 Ca 0.36 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.73 3kqz h PHE 599 Cb 0.20 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3kqz h PHE 599 CO -0.00 0.43 -0.43 0.28 -2.23 0.00 0.00 178.31 176.36 3kqz h VAL 600 N 0.69 1.31 0.16 1.41 2.07 -0.95 -3.34 116.25 117.60 3kqz h VAL 600 Ca 0.19 -1.61 -0.33 0.00 0.82 0.00 0.00 66.70 65.76 3kqz h VAL 600 Cb -0.05 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3kqz h VAL 600 CO -0.04 0.51 -1.63 -0.07 0.02 0.00 0.00 177.57 176.36 3kqz h LEU 601 N 0.44 0.53 -0.94 2.57 4.07 -1.04 -3.50 115.31 117.44 3kqz h LEU 601 Ca 0.03 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.25 3kqz h LEU 601 Cb 0.94 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.51 3kqz h LEU 601 CO 0.08 1.62 0.00 0.59 -1.08 0.00 0.00 178.44 179.65