#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s SER 86 N 0.00 5.49 0.19 0.00 0.01 -1.26 -5.08 113.70 113.05 3kqz s SER 86 Ca 0.00 -0.30 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 3kqz s SER 86 Cb 0.00 -1.31 -0.08 0.00 0.21 0.00 0.00 66.02 64.84 3kqz s SER 86 CO 0.00 -0.12 1.01 -1.61 0.41 0.00 0.00 173.24 172.93 3kqz s GLU 87 N -3.89 4.71 -0.14 12.44 0.41 -1.26 -4.94 118.70 126.03 3kqz s GLU 87 Ca 0.35 1.58 -0.29 0.00 -0.41 0.00 0.00 54.97 56.20 3kqz s GLU 87 Cb -0.07 -3.30 -0.01 0.00 -1.78 0.00 0.00 34.13 28.97 3kqz s GLU 87 CO 0.25 0.26 0.98 0.08 -0.49 0.00 0.00 175.26 176.35 3kqz s VAL 88 N -0.55 4.78 0.64 2.63 1.01 -1.26 -5.01 120.40 122.63 3kqz s VAL 88 Ca 0.46 1.97 -0.14 0.00 0.00 0.00 0.00 61.98 64.27 3kqz s VAL 88 Cb -0.27 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 3kqz s VAL 88 CO 0.33 -0.03 1.07 -2.16 0.00 0.00 0.00 175.10 174.31 3kqz s PRO 89 N 2.28 3.10 0.05 2.72 0.04 -1.26 -4.97 135.00 136.96 3kqz s PRO 89 Ca 0.46 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.68 3kqz s PRO 89 Cb -0.17 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3kqz s PRO 89 CO 0.14 -0.98 -0.06 -0.65 0.04 0.00 0.00 177.00 175.49 3kqz s GLN 90 N -4.35 0.55 -0.19 4.56 -0.21 -1.26 -5.03 119.66 113.74 3kqz s GLN 90 Ca 0.63 -0.87 -0.07 0.00 0.02 0.00 0.00 55.36 55.06 3kqz s GLN 90 Cb -0.16 -0.17 -0.21 0.00 1.00 0.00 0.00 33.01 33.47 3kqz s GLN 90 CO 0.43 0.01 0.11 0.28 -2.12 0.00 0.00 175.29 174.00 3kqz n VAL 91 N 1.12 1.64 -4.38 1.09 0.31 -1.26 -4.95 118.33 111.90 3kqz n VAL 91 Ca -0.20 -0.51 -0.24 0.00 -0.01 0.00 0.00 64.34 63.38 3kqz n VAL 91 Cb 0.56 -1.71 -0.11 0.00 -0.91 0.00 0.00 33.84 31.67 3kqz n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kqz s VAL 92 N -2.51 2.09 0.19 2.52 -7.23 -1.26 -5.02 120.40 109.17 3kqz s VAL 92 Ca -0.28 -2.05 0.34 0.00 -1.81 0.00 0.00 61.98 58.17 3kqz s VAL 92 Cb 0.08 -2.02 0.34 0.00 0.56 0.00 0.00 36.38 35.35 3kqz s VAL 92 CO 0.67 -0.28 2.02 0.77 -0.31 0.00 0.00 175.10 177.97 3kqz h SER 93 N 3.05 0.00 0.81 4.85 4.64 -2.03 -1.64 113.55 123.23 3kqz h SER 93 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3kqz h SER 93 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3kqz h SER 93 CO 0.52 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 176.61 3kqz n LEU 94 N -2.73 0.07 -4.71 5.97 4.77 -1.26 -4.85 117.00 114.27 3kqz n LEU 94 Ca -0.01 0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 3kqz n LEU 94 Cb 0.11 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3kqz n LEU 94 CO 0.18 0.01 1.19 -1.81 -1.33 0.00 0.00 177.39 175.63 3kqz s ASP 95 N -2.86 6.70 0.53 -1.43 1.01 -0.62 -4.94 116.67 115.06 3kqz s ASP 95 Ca 0.18 2.43 -0.22 0.00 0.71 0.00 0.00 52.55 55.66 3kqz s ASP 95 Cb 0.19 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.49 3kqz s ASP 95 CO 0.52 -0.77 1.27 -2.16 0.21 0.00 0.00 175.17 174.25 3kqz s PRO 96 N 1.63 3.30 -0.05 8.23 0.04 -1.26 -4.94 135.00 141.96 3kqz s PRO 96 Ca 0.68 2.03 0.10 0.00 0.04 0.00 0.00 61.00 63.85 3kqz s PRO 96 Cb -0.39 -2.25 0.27 0.00 0.04 0.00 0.00 34.50 32.17 3kqz s PRO 96 CO 0.31 -1.00 1.21 0.25 0.04 0.00 0.00 177.00 177.81 3kqz n THR 97 N -0.95 1.34 -3.55 1.26 -2.24 -1.26 -4.84 114.28 104.04 3kqz n THR 97 Ca 0.10 -1.29 -0.11 0.00 -2.27 0.00 0.00 64.05 60.47 3kqz n THR 97 Cb 0.47 0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.36 -0.38 -0.17 3.42 1.04 -1.26 -4.71 113.70 110.28 3kqz s SER 98 Ca 0.22 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 3kqz s SER 98 Cb 0.15 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 3kqz s SER 98 CO 0.09 -0.89 1.01 -0.63 0.98 0.00 0.00 173.24 173.80 3kqz s ILE 99 N -3.68 4.75 0.27 -1.02 1.01 -1.25 -4.86 121.20 116.41 3kqz s ILE 99 Ca 0.02 2.00 -0.30 0.00 0.00 0.00 0.00 60.65 62.37 3kqz s ILE 99 Cb 0.01 -4.30 -0.10 0.00 0.01 0.00 0.00 42.46 38.08 3kqz s ILE 99 CO -0.12 -0.08 1.37 -2.16 0.00 0.00 0.00 174.94 173.96 3kqz s PRO 100 N 2.57 4.31 -0.02 2.79 0.04 -1.26 -5.00 135.00 138.43 3kqz s PRO 100 Ca 0.45 2.24 0.01 0.00 0.04 0.00 0.00 61.00 63.75 3kqz s PRO 100 Cb -0.17 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.28 3kqz s PRO 100 CO 0.12 -0.32 -0.04 0.42 0.04 0.00 0.00 177.00 177.23 3kqz s ILE 101 N -0.41 0.39 -0.29 0.56 -1.09 -1.26 -4.97 121.20 114.12 3kqz s ILE 101 Ca 0.55 -0.12 -0.07 0.00 -2.23 0.00 0.00 60.65 58.78 3kqz s ILE 101 Cb -0.40 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.09 3kqz s ILE 101 CO 0.46 0.15 0.09 -0.70 -1.23 0.00 0.00 174.94 173.72 3kqz s GLU 102 N 0.45 3.19 -0.23 2.79 2.12 -1.26 -4.94 118.70 120.83 3kqz s GLU 102 Ca -0.05 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.37 3kqz s GLU 102 Cb -0.09 -3.39 -0.17 0.00 0.26 0.00 0.00 34.13 30.74 3kqz s GLU 102 CO -0.00 -0.41 -0.05 0.66 -0.54 0.00 0.00 175.26 174.92 3kqz n TYR 103 N 4.89 0.51 -2.72 5.30 4.02 -1.26 -4.70 117.16 123.20 3kqz n TYR 103 Ca -0.15 0.17 -0.42 0.00 -0.01 0.00 0.00 57.90 57.49 3kqz n TYR 103 Cb 0.49 -1.06 -0.03 0.00 -0.02 0.00 0.00 39.34 38.72 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 -7.06 6.57 0.41 7.72 0.01 -1.26 -5.00 114.94 116.33 3kqz s ASN 104 Ca -0.33 -1.75 -0.07 0.00 -0.71 0.00 0.00 52.86 50.00 3kqz s ASN 104 Cb 0.10 -2.49 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 3kqz s ASN 104 CO 0.59 -1.30 0.73 0.42 -1.51 0.00 0.00 177.10 176.02 3kqz s THR 105 N 3.93 4.89 0.41 1.60 -4.23 -1.26 -4.97 115.64 116.00 3kqz s THR 105 Ca 0.40 0.32 0.15 0.00 -1.18 0.00 0.00 61.69 61.39 3kqz s THR 105 Cb -0.02 -3.79 0.36 0.00 1.34 0.00 0.00 72.50 70.39 3kqz s THR 105 CO -0.09 -0.61 1.88 -0.65 -0.54 0.00 0.00 174.62 174.61 3kqz h PRO 106 N 0.94 0.45 -0.78 3.99 0.11 -2.00 0.20 132.00 134.91 3kqz h PRO 106 Ca -0.47 -0.03 0.16 0.00 0.11 0.00 0.00 66.00 65.77 3kqz h PRO 106 Cb 1.20 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.15 3kqz h PRO 106 CO 0.63 0.30 0.52 0.82 -0.21 0.00 0.00 178.00 180.06 3kqz h ILE 107 N 0.46 0.77 0.00 4.15 1.08 -1.93 -1.36 117.51 120.68 3kqz h ILE 107 Ca 0.43 -0.14 -0.06 0.00 -0.39 0.00 0.00 64.86 64.70 3kqz h ILE 107 Cb 0.98 0.33 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 3kqz h ILE 107 CO -0.16 0.07 -0.31 0.45 -0.69 0.00 0.00 178.15 177.51 3kqz h HIS 108 N 0.40 0.00 0.00 1.37 3.86 -0.97 -2.45 115.15 117.36 3kqz h HIS 108 Ca 0.38 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 3kqz h HIS 108 Cb 0.91 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.38 3kqz h HIS 108 CO -0.00 0.31 0.00 -0.25 0.86 0.00 0.00 177.93 178.85 3kqz n ASP 109 N -3.63 0.43 -4.67 2.45 8.00 -0.52 -4.81 116.55 113.80 3kqz n ASP 109 Ca -0.01 0.55 -0.42 0.00 0.71 0.00 0.00 54.79 55.62 3kqz n ASP 109 Cb 0.43 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 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 -3.07 3.62 -0.17 0.53 1.01 -0.93 -4.83 121.20 117.36 3kqz s ILE 110 Ca 0.11 0.89 -0.26 0.00 0.00 0.00 0.00 60.65 61.39 3kqz s ILE 110 Cb 0.14 -3.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.03 3kqz s ILE 110 CO 0.53 -0.04 0.87 -0.54 0.00 0.00 0.00 174.94 175.76 3kqz s LYS 111 N 3.21 4.31 -0.20 2.79 1.02 0.94 -4.91 119.74 126.89 3kqz s LYS 111 Ca 0.68 1.09 -0.06 0.00 0.02 0.00 0.00 55.97 57.71 3kqz s LYS 111 Cb -0.32 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 3kqz s LYS 111 CO 0.27 -0.35 0.02 0.08 -0.92 0.00 0.00 175.35 174.45 3kqz s VAL 112 N 2.22 4.19 -0.10 3.17 1.01 -1.26 -0.40 120.40 129.23 3kqz s VAL 112 Ca 0.40 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.17 3kqz s VAL 112 Cb -0.17 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.33 3kqz s VAL 112 CO 0.13 0.43 -0.18 -1.10 0.00 0.00 0.00 175.10 174.37 3kqz s GLN 113 N 0.90 2.47 -0.14 2.72 -1.52 0.21 -4.98 119.66 119.31 3kqz s GLN 113 Ca 0.02 -0.67 -0.01 0.00 -1.95 0.00 0.00 55.36 52.75 3kqz s GLN 113 Cb -0.14 -1.97 -0.01 0.00 -0.22 0.00 0.00 33.01 30.66 3kqz s GLN 113 CO 0.02 0.05 -0.11 0.08 -0.25 0.00 0.00 175.29 175.08 3kqz s VAL 114 N 0.67 3.15 0.11 1.09 1.01 -1.26 -0.88 120.40 124.29 3kqz s VAL 114 Ca -0.13 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3kqz s VAL 114 Cb -0.16 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 3kqz s VAL 114 CO 0.03 0.51 -0.22 -0.31 0.00 0.00 0.00 175.10 175.11 3kqz s TYR 115 N 0.51 1.91 -0.00 5.22 1.51 0.11 -4.98 117.35 121.64 3kqz s TYR 115 Ca -0.08 -0.41 -0.27 0.00 -1.01 0.00 0.00 57.07 55.30 3kqz s TYR 115 Cb -0.15 -1.04 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 3kqz s TYR 115 CO 0.04 0.24 0.87 0.34 -1.11 0.00 0.00 175.55 175.92 3kqz s ASP 116 N -1.95 7.25 0.39 2.29 -1.08 -1.26 -1.78 116.67 120.53 3kqz s ASP 116 Ca 0.08 1.51 0.12 0.00 -0.52 0.00 0.00 52.55 53.73 3kqz s ASP 116 Cb -0.10 -2.51 0.92 0.00 -1.46 0.00 0.00 42.92 39.76 3kqz s ASP 116 CO 0.05 -0.16 1.91 0.40 0.52 0.00 0.00 175.17 177.88 3kqz h ILE 117 N 4.63 0.84 -1.13 4.11 2.04 -1.71 -2.71 117.51 123.58 3kqz h ILE 117 Ca -0.42 -0.20 0.33 0.00 1.00 0.00 0.00 64.86 65.58 3kqz h ILE 117 Cb 1.21 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 3kqz h ILE 117 CO 0.74 0.10 0.81 0.11 0.00 0.00 0.00 178.15 179.92 3kqz h LYS 118 N 0.57 0.01 -0.00 2.37 6.56 -1.93 0.11 116.57 124.26 3kqz h LYS 118 Ca 0.39 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.98 3kqz h LYS 118 Cb 0.71 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 3kqz h LYS 118 CO -0.15 0.01 -0.00 0.41 -2.06 0.00 0.00 179.45 177.66 3kqz n GLY 119 N -1.75 -1.31 0.00 3.86 0.00 -1.02 -5.02 105.19 99.95 3kqz n GLY 119 Ca 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.31 -0.73 3.53 -0.02 0.00 0.38 -4.95 105.19 104.71 3kqz n GLY 120 Ca 0.13 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N 0.38 6.88 -0.43 0.00 -0.87 -1.26 0.15 114.94 119.79 3kqz s ASN 122 Ca -0.02 1.06 0.03 0.00 -1.57 0.00 0.00 52.86 52.36 3kqz s ASN 122 Cb -0.14 -2.39 0.12 0.00 -0.02 0.00 0.00 41.25 38.82 3kqz s ASN 122 CO 0.02 -0.16 0.16 -0.69 -2.57 0.00 0.00 177.10 173.86 3kqz s VAL 123 N 1.15 2.54 0.00 1.60 1.01 -1.26 -5.02 120.40 120.42 3kqz s VAL 123 Ca 0.34 -2.73 0.00 0.00 0.00 0.00 0.00 61.98 59.60 3kqz s VAL 123 Cb -0.17 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.40 3kqz s VAL 123 CO 0.15 -0.70 0.00 -0.62 0.00 0.00 0.00 175.10 173.93 3kqz n GLU 124 N 3.81 0.00 -0.82 2.72 1.02 -1.26 -4.96 120.64 121.14 3kqz n GLU 124 Ca 0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 3kqz n GLU 124 Cb 0.38 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 31.95 3kqz n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kqz s GLU 125 N 3.72 1.26 0.88 3.49 1.03 -1.26 -4.49 118.70 123.33 3kqz s GLU 125 Ca 0.00 1.46 0.00 0.00 0.03 0.00 0.00 54.97 56.46 3kqz s GLU 125 Cb 0.00 -1.76 0.00 0.00 -0.80 0.00 0.00 34.13 31.57 3kqz s GLU 125 CO 0.00 -2.43 0.00 0.41 -1.33 0.00 0.00 175.26 171.91 3kqz n GLY 126 N -0.10 0.26 3.01 -3.83 0.00 -1.26 -4.78 105.19 98.49 3kqz n GLY 126 Ca 0.11 -1.57 -0.25 0.00 0.00 0.00 0.00 46.02 44.31 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 1.58 -0.24 0.99 2.96 -0.45 -3.78 118.68 119.74 3kqz s LEU 127 Ca 0.00 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3kqz s LEU 127 Cb 0.00 -0.86 0.00 0.00 0.50 0.00 0.00 46.19 45.83 3kqz s LEU 127 CO 0.00 0.01 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.14 3kqz s THR 128 N 0.87 3.46 -0.15 3.68 2.01 -0.39 -1.34 115.64 123.77 3kqz s THR 128 Ca -0.11 -0.63 -0.03 0.00 0.31 0.00 0.00 61.69 61.23 3kqz s THR 128 Cb -0.15 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 3kqz s THR 128 CO 0.01 0.29 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.55 3kqz s ILE 129 N 1.46 3.73 -0.15 1.82 -1.09 0.83 -0.14 121.20 127.65 3kqz s ILE 129 Ca 0.04 -0.42 -0.17 0.00 -2.23 0.00 0.00 60.65 57.87 3kqz s ILE 129 Cb -0.15 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3kqz s ILE 129 CO -0.02 0.50 0.44 -0.36 -1.23 0.00 0.00 174.94 174.27 3kqz s PHE 130 N 0.38 3.47 -0.51 3.97 0.40 0.22 -0.13 117.98 125.78 3kqz s PHE 130 Ca -0.05 0.79 -0.19 0.00 -0.60 0.00 0.00 56.93 56.87 3kqz s PHE 130 Cb -0.15 -2.52 0.06 0.00 0.51 0.00 0.00 43.02 40.92 3kqz s PHE 130 CO 0.03 0.13 0.63 -0.51 0.70 0.00 0.00 175.22 176.20 3kqz s LEU 131 N 0.80 4.95 0.05 -0.37 1.43 0.75 -1.53 118.68 124.76 3kqz s LEU 131 Ca 0.23 -0.90 0.09 0.00 -1.03 0.00 0.00 54.13 52.52 3kqz s LEU 131 Cb -0.15 -2.46 -0.03 0.00 0.03 0.00 0.00 46.19 43.59 3kqz s LEU 131 CO 0.09 -0.90 -0.25 0.68 0.23 0.00 0.00 176.35 176.20 3kqz s VAL 132 N 2.65 2.02 0.14 -1.59 -7.23 -1.10 -1.36 120.40 113.93 3kqz s VAL 132 Ca 0.15 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.97 3kqz s VAL 132 Cb -0.19 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.00 3kqz s VAL 132 CO 0.12 0.29 0.07 -0.46 -0.31 0.00 0.00 175.10 174.81 3kqz n ASN 133 N 1.71 0.66 -3.28 4.85 0.23 -1.26 0.99 115.26 119.15 3kqz n ASN 133 Ca -0.17 -1.81 -0.07 0.00 -0.53 0.00 0.00 54.58 51.99 3kqz n ASN 133 Cb 0.52 0.46 -0.05 0.00 -2.08 0.00 0.00 39.78 38.63 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 -1.92 -0.05 0.26 0.53 3.84 -0.62 -4.77 114.94 112.22 3kqz s ASN 134 Ca 0.10 -0.61 -0.30 0.00 0.21 0.00 0.00 52.86 52.27 3kqz s ASN 134 Cb 0.00 1.27 -0.10 0.00 -0.55 0.00 0.00 41.25 41.88 3kqz s ASN 134 CO 0.07 -0.30 1.30 -2.84 -2.79 0.00 0.00 177.10 172.54 3kqz s PRO 135 N 2.25 4.39 0.00 0.43 0.02 -1.26 -3.27 135.00 137.56 3kqz s PRO 135 Ca 0.12 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.26 3kqz s PRO 135 Cb -0.11 -3.14 0.00 0.00 0.02 0.00 0.00 34.50 31.27 3kqz s PRO 135 CO -0.21 -0.20 0.00 0.41 -0.33 0.00 0.00 177.00 176.67 3kqz n GLY 136 N 1.65 2.15 3.55 0.52 0.00 0.67 -4.94 105.19 108.80 3kqz n GLY 136 Ca 0.03 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3kqz n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqz s LYS 137 N 0.00 3.12 0.19 1.61 -2.85 -1.20 -5.00 119.74 115.60 3kqz s LYS 137 Ca 0.00 -0.34 -0.33 0.00 -1.00 0.00 0.00 55.97 54.30 3kqz s LYS 137 Cb 0.00 -4.67 -0.14 0.00 -2.06 0.00 0.00 37.83 30.96 3kqz s LYS 137 CO 0.00 -2.43 1.45 0.39 0.10 0.00 0.00 175.35 174.86 3kqz n GLU 138 N 9.14 1.93 -3.54 1.78 4.71 -1.26 -1.52 120.64 131.86 3kqz n GLU 138 Ca 0.20 0.69 -0.25 0.00 -0.01 0.00 0.00 57.16 57.79 3kqz n GLU 138 Cb 0.50 -2.38 -0.02 0.00 -1.01 0.00 0.00 31.44 28.53 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 2.69 -3.05 -4.45 1.62 4.13 -1.26 -4.95 115.26 109.99 3kqz n ASN 139 Ca 0.15 -0.49 -0.29 0.00 1.68 0.00 0.00 54.58 55.63 3kqz n ASN 139 Cb 0.29 -2.56 0.18 0.00 -1.54 0.00 0.00 39.78 36.15 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kqz s GLY 140 N -2.78 1.58 0.54 7.41 0.00 -0.58 -4.48 107.32 109.01 3kqz s GLY 140 Ca 0.46 -0.62 -0.19 0.00 0.00 0.00 0.00 44.72 44.36 3kqz s GLY 140 CO 0.57 0.06 1.11 2.56 0.00 0.00 0.00 173.10 177.39 3kqz s PRO 141 N -5.23 3.41 -0.00 2.90 0.04 -1.26 -1.00 135.00 133.86 3kqz s PRO 141 Ca 0.67 1.54 -0.30 0.00 0.04 0.00 0.00 61.00 62.94 3kqz s PRO 141 Cb -0.14 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 3kqz s PRO 141 CO 0.56 -0.78 1.42 0.08 0.04 0.00 0.00 177.00 178.32 3kqz s VAL 142 N -1.87 3.68 -0.08 -0.36 1.01 -0.53 -4.68 120.40 117.58 3kqz s VAL 142 Ca 0.71 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.76 3kqz s VAL 142 Cb -0.22 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3kqz s VAL 142 CO 0.27 -0.01 -0.12 -0.54 0.00 0.00 0.00 175.10 174.70 3kqz s LYS 143 N 2.50 1.70 -0.31 2.72 1.02 -1.26 -3.34 119.74 122.76 3kqz s LYS 143 Ca 0.65 -0.39 -0.16 0.00 0.02 0.00 0.00 55.97 56.08 3kqz s LYS 143 Cb -0.32 -1.46 -0.02 0.00 -0.52 0.00 0.00 37.83 35.51 3kqz s LYS 143 CO 0.27 -0.03 0.42 0.42 -0.92 0.00 0.00 175.35 175.50 3kqz s ILE 144 N 0.87 5.12 -0.14 2.17 -1.09 -1.26 -4.92 121.20 121.95 3kqz s ILE 144 Ca -0.11 0.40 0.19 0.00 -2.23 0.00 0.00 60.65 58.90 3kqz s ILE 144 Cb -0.15 -3.81 -0.27 0.00 -1.58 0.00 0.00 42.46 36.65 3kqz s ILE 144 CO 0.01 -0.01 0.26 -1.54 -1.23 0.00 0.00 174.94 172.43 3kqz n SER 145 N 5.47 0.05 -4.76 3.58 3.41 -1.26 -4.91 113.62 115.19 3kqz n SER 145 Ca -0.07 0.02 -0.39 0.00 -0.26 0.00 0.00 58.87 58.17 3kqz n SER 145 Cb 0.50 1.29 0.01 0.00 -0.26 0.00 0.00 64.21 65.76 3kqz n SER 145 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3kqz s SER 146 N -5.17 5.89 0.32 4.04 0.01 -1.26 -4.98 113.70 112.54 3kqz s SER 146 Ca -0.09 2.77 -0.29 0.00 1.31 0.00 0.00 55.95 59.66 3kqz s SER 146 Cb 0.09 -2.64 -0.10 0.00 0.21 0.00 0.00 66.02 63.58 3kqz s SER 146 CO 0.86 -1.15 1.23 -0.75 0.41 0.00 0.00 173.24 173.84 3kqz s LYS 147 N -2.50 4.43 -0.11 12.44 2.20 -1.26 -4.95 119.74 129.98 3kqz s LYS 147 Ca 0.62 2.06 0.03 0.00 -0.36 0.00 0.00 55.97 58.32 3kqz s LYS 147 Cb -0.40 -3.08 -0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3kqz s LYS 147 CO 0.51 -0.07 -0.21 0.08 -0.36 0.00 0.00 175.35 175.30 3kqz s VAL 148 N -1.16 2.32 -1.41 4.02 1.01 -1.26 -0.27 120.40 123.65 3kqz s VAL 148 Ca 0.48 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 3kqz s VAL 148 Cb -0.37 -1.92 0.04 0.00 0.00 0.00 0.00 36.38 34.14 3kqz s VAL 148 CO 0.48 0.55 2.60 0.59 0.00 0.00 0.00 175.10 179.32 3kqz n ASN 149 N 3.60 8.28 -3.45 3.32 3.02 0.12 -4.68 115.26 125.47 3kqz n ASN 149 Ca -0.19 -2.94 0.01 0.00 -0.03 0.00 0.00 54.58 51.43 3kqz n ASN 149 Cb 0.53 -1.43 -0.04 0.00 -0.61 0.00 0.00 39.78 38.23 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 1.01 -0.65 0.15 6.41 2.15 -1.26 -4.81 116.67 119.67 3kqz s ASP 150 Ca 0.60 0.90 -0.12 0.00 0.43 0.00 0.00 52.55 54.36 3kqz s ASP 150 Cb 0.19 1.71 0.02 0.00 -0.30 0.00 0.00 42.92 44.53 3kqz s ASP 150 CO -0.08 -0.13 1.59 0.07 -0.17 0.00 0.00 175.17 176.45 3kqz h LYS 151 N 7.46 0.89 -0.40 4.34 2.10 -1.98 -0.56 116.57 128.41 3kqz h LYS 151 Ca -0.17 -0.30 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 3kqz h LYS 151 Cb 1.12 -0.07 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 3kqz h LYS 151 CO 0.09 0.94 0.20 1.96 -2.00 0.00 0.00 179.45 180.64 3kqz h GLN 152 N 0.75 0.57 -0.32 0.07 1.08 -1.91 -0.18 115.11 115.18 3kqz h GLN 152 Ca 0.14 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.24 3kqz h GLN 152 Cb 0.55 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3kqz h GLN 152 CO 0.03 0.49 0.13 0.28 -0.95 0.00 0.00 178.83 178.81 3kqz h VAL 153 N 0.51 1.18 -0.53 -0.54 2.07 -1.78 -1.78 116.25 115.38 3kqz h VAL 153 Ca 0.14 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3kqz h VAL 153 Cb 0.10 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3kqz h VAL 153 CO -0.02 0.19 0.30 0.28 0.02 0.00 0.00 177.57 178.34 3kqz h SER 154 N 0.38 0.46 -0.25 0.57 0.02 -0.90 -0.42 113.55 113.40 3kqz h SER 154 Ca 0.11 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3kqz h SER 154 Cb 0.18 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 3kqz h SER 154 CO -0.01 0.32 -0.14 -0.08 -1.14 0.00 0.00 176.83 175.78 3kqz h GLU 155 N 0.58 -0.12 -0.80 3.45 4.57 -0.95 -1.85 114.58 119.47 3kqz h GLU 155 Ca 0.22 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.42 3kqz h GLU 155 Cb 0.08 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 3kqz h GLU 155 CO -0.13 -0.08 0.53 0.35 -1.18 0.00 0.00 179.01 178.50 3kqz h PHE 156 N -0.12 1.00 -0.55 0.92 3.57 -0.31 -2.85 116.94 118.61 3kqz h PHE 156 Ca 0.14 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.66 3kqz h PHE 156 Cb 0.33 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 38.73 3kqz h PHE 156 CO -0.32 0.62 0.00 1.28 -2.23 0.00 0.00 178.31 177.66 3kqz n LEU 157 N -4.42 3.52 -4.71 0.59 4.77 -0.29 -4.65 117.00 111.82 3kqz n LEU 157 Ca 0.09 -1.77 -0.33 0.00 -0.03 0.00 0.00 56.01 53.97 3kqz n LEU 157 Cb 0.04 -0.46 0.12 0.00 -2.33 0.00 0.00 43.42 40.79 3kqz n LEU 157 CO 0.36 0.71 0.75 -1.59 -1.33 0.00 0.00 177.39 176.29 3kqz s LYS 158 N -1.53 1.78 0.34 3.23 -2.85 -0.74 -4.49 119.74 115.49 3kqz s LYS 158 Ca 0.40 1.63 0.06 0.00 -1.00 0.00 0.00 55.97 57.05 3kqz s LYS 158 Cb 0.23 -1.80 0.72 0.00 -2.06 0.00 0.00 37.83 34.92 3kqz s LYS 158 CO 0.23 -2.08 1.91 -0.44 0.10 0.00 0.00 175.35 175.06 3kqz h ASP 159 N -0.91 0.72 -0.16 0.03 3.32 -1.91 -1.22 116.42 116.29 3kqz h ASP 159 Ca -0.46 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 3kqz h ASP 159 Cb 1.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3kqz h ASP 159 CO 0.47 0.43 0.00 -0.08 -1.72 0.00 0.00 179.24 178.34 3kqz h GLU 160 N 0.80 0.39 -0.00 3.56 4.81 -1.94 0.23 114.58 122.42 3kqz h GLU 160 Ca 0.39 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.35 3kqz h GLU 160 Cb 0.44 -0.06 0.02 0.00 0.63 0.00 0.00 28.75 29.77 3kqz h GLU 160 CO -0.16 0.42 -0.77 -0.91 -0.73 0.00 0.00 179.01 176.87 3kqz h ASN 161 N 0.38 0.68 0.91 1.04 2.35 -1.52 -3.38 115.58 116.04 3kqz h ASN 161 Ca 0.09 -0.75 -0.19 0.00 -0.55 0.00 0.00 56.30 54.90 3kqz h ASN 161 Cb 0.26 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3kqz h ASN 161 CO 0.01 1.34 -0.89 0.24 -1.65 0.00 0.00 177.43 176.47 3kqz h MET 162 N 0.09 0.00 0.00 0.81 2.86 -0.87 -3.32 114.93 114.50 3kqz h MET 162 Ca -0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3kqz h MET 162 Cb 1.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.11 3kqz h MET 162 CO 0.15 0.89 0.19 1.05 1.06 0.00 0.00 176.91 180.26 3kqz h GLU 163 N 0.00 0.00 -0.00 1.72 4.11 -0.57 0.45 114.58 120.30 3kqz h GLU 163 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3kqz h GLU 163 Cb 1.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3kqz h GLU 163 CO 0.12 0.00 -0.02 0.36 0.07 0.00 0.00 179.01 179.54 3kqz n LYS 164 N -2.83 0.47 -4.26 1.06 0.00 -1.25 -4.64 118.16 106.71 3kqz n LYS 164 Ca -0.02 -0.03 -0.26 0.00 -0.00 0.00 0.00 58.31 58.00 3kqz n LYS 164 Cb 0.24 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.69 3kqz n LYS 164 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 3kqz s PHE 165 N -2.55 2.72 0.34 5.58 0.08 0.15 -5.06 117.98 119.24 3kqz s PHE 165 Ca 0.29 -0.19 0.06 0.00 0.12 0.00 0.00 56.93 57.21 3kqz s PHE 165 Cb 0.20 -1.31 -0.07 0.00 -0.57 0.00 0.00 43.02 41.27 3kqz s PHE 165 CO 0.46 0.53 -0.01 0.54 -0.10 0.00 0.00 175.22 176.64 3kqz s ASN 166 N -2.95 3.15 0.00 1.36 2.20 -1.26 -1.46 114.94 115.98 3kqz s ASN 166 Ca 0.26 -1.30 0.18 0.00 -0.94 0.00 0.00 52.86 51.07 3kqz s ASN 166 Cb -0.09 -0.25 0.51 0.00 -2.00 0.00 0.00 41.25 39.43 3kqz s ASN 166 CO 0.17 -0.43 1.42 1.33 -2.94 0.00 0.00 177.10 176.65 3kqz n VAL 167 N -0.77 0.60 -1.50 3.54 0.24 -0.17 -4.69 118.33 115.58 3kqz n VAL 167 Ca -0.04 -0.66 -0.49 0.00 -2.04 0.00 0.00 64.34 61.11 3kqz n VAL 167 Cb 0.65 0.46 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 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 1.01 0.55 -2.27 7.34 4.81 -1.26 0.21 118.16 128.56 3kqz n LYS 168 Ca 0.18 0.20 -0.42 0.00 -0.87 0.00 0.00 58.31 57.39 3kqz n LYS 168 Cb 0.45 -1.46 -0.03 0.00 0.02 0.00 0.00 35.03 34.01 3kqz n LYS 168 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3kqz s LEU 169 N 1.48 4.35 0.00 3.14 2.96 -1.26 -0.86 118.68 128.50 3kqz s LEU 169 Ca 0.69 2.16 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 3kqz s LEU 169 Cb -0.91 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.20 3kqz s LEU 169 CO 0.56 -0.61 0.00 0.61 -1.32 0.00 0.00 176.35 175.59 3kqz n GLY 170 N 3.45 1.91 3.77 7.98 0.00 -0.42 -4.94 105.19 116.93 3kqz n GLY 170 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.11 3.08 0.02 2.61 2.01 -0.04 -4.79 115.64 115.41 3kqz s THR 171 Ca 0.00 0.76 -0.17 0.00 0.31 0.00 0.00 61.69 62.59 3kqz s THR 171 Cb 0.00 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.18 3kqz s THR 171 CO 0.00 -0.06 0.37 -0.94 -0.69 0.00 0.00 174.62 173.30 3kqz s SER 172 N -1.50 -0.24 -0.00 3.53 1.04 -1.26 0.10 113.70 115.37 3kqz s SER 172 Ca 0.67 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 57.12 3kqz s SER 172 Cb -0.27 0.38 -0.00 0.00 0.10 0.00 0.00 66.02 66.22 3kqz s SER 172 CO 0.32 -0.57 0.04 -0.54 0.98 0.00 0.00 173.24 173.48 3kqz s LYS 173 N -1.97 0.25 -0.05 4.02 -0.14 -1.02 -5.00 119.74 115.83 3kqz s LYS 173 Ca -0.09 -0.28 -0.01 0.00 -1.36 0.00 0.00 55.97 54.23 3kqz s LYS 173 Cb -0.02 0.10 -0.04 0.00 -1.68 0.00 0.00 37.83 36.19 3kqz s LYS 173 CO 0.01 -0.05 0.02 -1.01 -0.76 0.00 0.00 175.35 173.57 3kqz s HIS 174 N -0.84 3.19 0.10 3.18 3.76 -1.26 -2.54 115.29 120.88 3kqz s HIS 174 Ca -0.09 0.19 0.09 0.00 -0.15 0.00 0.00 55.06 55.10 3kqz s HIS 174 Cb -0.06 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 3kqz s HIS 174 CO 0.00 0.50 -0.24 -0.06 -0.85 0.00 0.00 174.74 174.09 3kqz s PHE 175 N -1.00 2.08 -0.04 1.40 0.08 0.38 -4.96 117.98 115.92 3kqz s PHE 175 Ca 0.17 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 56.83 3kqz s PHE 175 Cb -0.12 -1.15 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 3kqz s PHE 175 CO 0.07 0.25 -0.04 -0.47 -0.10 0.00 0.00 175.22 174.92 3kqz s TYR 176 N -1.05 0.71 0.27 0.36 5.04 -1.26 -1.22 117.35 120.20 3kqz s TYR 176 Ca 0.10 -0.19 -0.15 0.00 -2.44 0.00 0.00 57.07 54.40 3kqz s TYR 176 Cb -0.10 -0.64 0.01 0.00 0.35 0.00 0.00 41.96 41.58 3kqz s TYR 176 CO 0.05 -0.18 0.56 0.00 -1.34 0.00 0.00 175.55 174.64 3kqz s MET 177 N 0.91 1.69 -0.16 4.97 0.23 -0.85 -5.00 119.30 121.10 3kqz s MET 177 Ca -0.11 -1.23 -0.05 0.00 -1.03 0.00 0.00 55.69 53.27 3kqz s MET 177 Cb -0.14 0.52 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 3kqz s MET 177 CO 0.00 -0.73 0.02 -0.06 -2.03 0.00 0.00 175.02 172.22 3kqz s PHE 178 N -3.81 3.17 0.81 3.16 0.08 -1.26 -0.56 117.98 119.56 3kqz s PHE 178 Ca 0.19 -0.02 -0.11 0.00 0.12 0.00 0.00 56.93 57.12 3kqz s PHE 178 Cb -0.02 -1.98 0.18 0.00 -0.57 0.00 0.00 43.02 40.62 3kqz s PHE 178 CO 0.09 0.16 1.10 0.27 -0.10 0.00 0.00 175.22 176.74 3kqz n ASN 179 N 3.25 0.38 0.16 1.36 0.23 0.50 -4.57 115.26 116.58 3kqz n ASN 179 Ca -0.17 -1.58 0.09 0.00 -0.53 0.00 0.00 54.58 52.39 3kqz n ASN 179 Cb 0.53 -0.81 0.49 0.00 -2.08 0.00 0.00 39.78 37.90 3kqz n ASN 179 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3kqz n ASP 180 N -3.54 0.47 -1.56 0.53 8.00 -1.26 -1.23 116.55 117.97 3kqz n ASP 180 Ca 0.15 0.68 0.05 0.00 0.71 0.00 0.00 54.79 56.38 3kqz n ASP 180 Cb 0.51 -0.71 0.33 0.00 -0.02 0.00 0.00 41.12 41.24 3kqz n ASP 180 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3kqz n ASN 181 N -2.16 4.87 -2.49 -2.24 3.02 -1.26 -4.92 115.26 110.08 3kqz n ASN 181 Ca -0.01 -3.05 -0.21 0.00 -0.03 0.00 0.00 54.58 51.28 3kqz n ASN 181 Cb 0.13 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 3kqz n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kqz n LYS 182 N 0.05 -2.46 -4.61 3.52 2.85 -0.36 -4.98 118.16 112.16 3kqz n LYS 182 Ca 0.28 0.97 -0.33 0.00 -1.05 0.00 0.00 58.31 58.18 3kqz n LYS 182 Cb 1.13 -5.65 -0.13 0.00 -0.65 0.00 0.00 35.03 29.72 3kqz n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kqz s ASN 183 N -2.24 4.42 0.02 -5.58 0.01 -1.25 -4.86 114.94 105.46 3kqz s ASN 183 Ca 0.08 -0.20 -0.30 0.00 -0.71 0.00 0.00 52.86 51.72 3kqz s ASN 183 Cb -0.03 -1.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.97 3kqz s ASN 183 CO 0.10 0.20 1.42 -0.94 -1.51 0.00 0.00 177.10 176.36 3kqz s SER 184 N 0.16 6.83 0.11 -1.22 1.04 -1.26 -0.37 113.70 118.99 3kqz s SER 184 Ca -0.04 2.16 0.09 0.00 0.48 0.00 0.00 55.95 58.64 3kqz s SER 184 Cb -0.14 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.38 3kqz s SER 184 CO 0.04 -0.72 -0.24 0.68 0.98 0.00 0.00 173.24 173.98 3kqz s VAL 185 N 2.27 1.94 -0.20 5.02 -7.23 0.27 -4.87 120.40 117.61 3kqz s VAL 185 Ca 0.65 -1.59 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 3kqz s VAL 185 Cb -0.33 -1.73 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 3kqz s VAL 185 CO 0.27 0.04 -0.02 0.00 -0.31 0.00 0.00 175.10 175.09 3kqz s ALA 186 N -1.08 2.97 0.30 1.32 0.00 -1.25 -2.00 121.76 122.02 3kqz s ALA 186 Ca 0.10 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.13 3kqz s ALA 186 Cb -0.10 -1.72 -0.06 0.00 0.00 0.00 0.00 23.12 21.24 3kqz s ALA 186 CO 0.05 -0.17 -0.09 0.08 0.00 0.00 0.00 175.76 175.63 3kqz s VAL 187 N 1.04 1.93 0.08 0.00 1.01 -0.36 -1.26 120.40 122.83 3kqz s VAL 187 Ca 0.01 -2.18 -0.14 0.00 0.00 0.00 0.00 61.98 59.67 3kqz s VAL 187 Cb -0.14 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.81 3kqz s VAL 187 CO 0.01 -0.30 0.64 0.61 0.00 0.00 0.00 175.10 176.07 3kqz n GLY 188 N -0.64 0.76 3.24 4.51 0.00 0.80 0.15 105.19 113.99 3kqz n GLY 188 Ca -0.05 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -3.39 0.36 -0.15 1.61 1.13 -1.05 -0.61 117.35 115.24 3kqz s TYR 189 Ca 0.15 -0.77 0.00 0.00 -1.41 0.00 0.00 57.07 55.04 3kqz s TYR 189 Cb -0.01 -0.14 0.03 0.00 -1.10 0.00 0.00 41.96 40.73 3kqz s TYR 189 CO 0.02 -0.59 -0.13 0.08 -2.51 0.00 0.00 175.55 172.42 3kqz s VAL 190 N -3.93 1.56 0.28 -3.49 1.01 -0.58 -2.42 120.40 112.83 3kqz s VAL 190 Ca 0.12 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.13 3kqz s VAL 190 Cb 0.05 -1.49 -0.10 0.00 0.00 0.00 0.00 36.38 34.83 3kqz s VAL 190 CO -0.05 0.41 1.45 -0.83 0.00 0.00 0.00 175.10 176.08 3kqz s GLY 191 N 1.48 2.46 -0.08 4.51 0.00 0.11 -2.72 107.32 113.08 3kqz s GLY 191 Ca 0.04 1.39 0.12 0.00 0.00 0.00 0.00 44.72 46.27 3kqz s GLY 191 CO -0.10 2.27 1.18 0.00 0.00 0.00 0.00 173.10 176.45 3kqz n GLY 193 N -0.68 -1.34 0.00 0.00 0.00 0.13 -4.63 105.19 98.67 3kqz n GLY 193 Ca 0.12 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 0.15 1.17 -4.72 1.61 3.41 -1.26 -1.58 113.62 112.40 3kqz n SER 194 Ca 0.00 -1.51 -0.37 0.00 -0.26 0.00 0.00 58.87 56.73 3kqz n SER 194 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 -0.51 5.25 0.15 -3.33 1.01 -1.26 -0.24 120.40 121.47 3kqz s VAL 195 Ca 0.00 0.73 -0.22 0.00 0.00 0.00 0.00 61.98 62.49 3kqz s VAL 195 Cb 0.00 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.69 3kqz s VAL 195 CO 0.00 0.36 1.64 0.00 0.00 0.00 0.00 175.10 177.10 3kqz h ALA 196 N 6.70 -0.08 -2.42 5.51 0.00 -1.95 -3.39 119.26 123.64 3kqz h ALA 196 Ca -0.41 0.08 -0.74 0.00 0.00 0.00 0.00 54.91 53.84 3kqz h ALA 196 Cb 1.17 0.43 -0.25 0.00 0.00 0.00 0.00 17.79 19.15 3kqz h ALA 196 CO 0.76 -0.63 -0.35 0.16 0.00 0.00 0.00 179.25 179.19 3kqz s ASP 197 N -5.05 5.98 0.37 0.00 1.47 -1.26 -4.64 116.67 113.54 3kqz s ASP 197 Ca -0.15 -1.54 -0.27 0.00 1.18 0.00 0.00 52.55 51.78 3kqz s ASP 197 Cb 0.12 -2.12 -0.09 0.00 -0.34 0.00 0.00 42.92 40.49 3kqz s ASP 197 CO 0.68 -0.67 1.27 -0.76 0.68 0.00 0.00 175.17 176.37 3kqz s LEU 198 N 1.55 4.29 0.39 2.11 1.43 -1.26 -5.02 118.68 122.16 3kqz s LEU 198 Ca 0.04 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.73 3kqz s LEU 198 Cb -0.25 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 3kqz s LEU 198 CO 0.04 -0.69 0.60 -0.94 0.23 0.00 0.00 176.35 175.60 3kqz s SER 199 N -0.73 6.15 0.31 2.29 1.04 -1.26 -4.90 113.70 116.60 3kqz s SER 199 Ca 0.54 0.43 0.06 0.00 0.48 0.00 0.00 55.95 57.46 3kqz s SER 199 Cb -0.37 -1.89 0.84 0.00 0.10 0.00 0.00 66.02 64.70 3kqz s SER 199 CO 0.48 -0.44 1.63 -0.08 0.98 0.00 0.00 173.24 175.81 3kqz h GLU 200 N 0.60 0.16 -0.02 4.02 4.22 -1.95 0.14 114.58 121.75 3kqz h GLU 200 Ca -0.48 -0.01 -0.16 0.00 0.08 0.00 0.00 59.36 58.79 3kqz h GLU 200 Cb 1.23 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3kqz h GLU 200 CO 0.60 0.10 -0.70 0.00 -2.18 0.00 0.00 179.01 176.83 3kqz h ALA 201 N 1.85 0.79 -0.40 2.92 0.00 -1.95 -1.62 119.26 120.85 3kqz h ALA 201 Ca 0.62 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3kqz h ALA 201 Cb 1.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3kqz h ALA 201 CO -0.71 0.83 0.12 -0.44 0.00 0.00 0.00 179.25 179.05 3kqz h ASP 202 N 0.07 0.58 -0.48 0.00 3.32 -1.40 -2.60 116.42 115.92 3kqz h ASP 202 Ca -0.01 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 56.71 3kqz h ASP 202 Cb 1.25 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3kqz h ASP 202 CO 0.10 0.63 -0.17 -0.03 -1.72 0.00 0.00 179.24 178.05 3kqz h MET 203 N 0.49 0.96 -0.83 3.56 4.05 -0.91 -0.07 114.93 122.18 3kqz h MET 203 Ca 0.13 -0.39 0.16 0.00 -0.28 0.00 0.00 59.70 59.32 3kqz h MET 203 Cb 0.26 -0.04 -0.10 0.00 -0.80 0.00 0.00 31.60 30.92 3kqz h MET 203 CO -0.00 1.06 0.37 -0.22 0.23 0.00 0.00 176.91 178.35 3kqz h LYS 204 N 0.81 0.48 0.22 0.39 3.64 -1.28 0.16 116.57 120.98 3kqz h LYS 204 Ca 0.11 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 3kqz h LYS 204 Cb 0.74 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 3kqz h LYS 204 CO 0.06 0.32 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.36 3kqz h ARG 205 N 0.49 -0.28 -0.42 1.90 9.65 -0.66 0.17 114.38 125.24 3kqz h ARG 205 Ca 0.47 0.02 0.09 0.00 -1.10 0.00 0.00 59.98 59.46 3kqz h ARG 205 Cb 0.75 0.06 -0.09 0.00 -1.39 0.00 0.00 29.97 29.31 3kqz h ARG 205 CO -0.42 -0.10 -0.21 0.28 2.80 0.00 0.00 179.97 182.31 3kqz h VAL 206 N -0.40 0.39 -0.88 0.20 2.07 -0.58 -1.28 116.25 115.77 3kqz h VAL 206 Ca -0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.52 3kqz h VAL 206 Cb 0.30 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3kqz h VAL 206 CO 0.05 0.00 0.57 0.58 0.02 0.00 0.00 177.57 178.79 3kqz h VAL 207 N -0.13 1.17 -0.92 2.57 2.07 -0.40 -0.67 116.25 119.93 3kqz h VAL 207 Ca 0.20 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 3kqz h VAL 207 Cb 0.45 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 3kqz h VAL 207 CO -0.50 0.21 0.55 -0.07 0.02 0.00 0.00 177.57 177.78 3kqz h LEU 208 N 1.13 1.11 -0.69 2.57 3.38 -0.17 0.24 115.31 122.88 3kqz h LEU 208 Ca 0.34 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.16 3kqz h LEU 208 Cb -0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 3kqz h LEU 208 CO -0.10 0.85 0.12 0.28 0.09 0.00 0.00 178.44 179.69 3kqz h SER 209 N 1.27 1.08 -0.38 -0.43 0.02 -0.46 -2.30 113.55 112.36 3kqz h SER 209 Ca 0.33 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3kqz h SER 209 Cb -0.05 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3kqz h SER 209 CO -0.06 1.06 0.11 0.25 -1.14 0.00 0.00 176.83 177.05 3kqz h LEU 210 N 1.06 0.57 -1.30 5.07 5.85 -0.62 -2.88 115.31 123.06 3kqz h LEU 210 Ca 0.21 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 3kqz h LEU 210 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3kqz h LEU 210 CO 0.01 0.64 -0.13 0.58 -0.34 0.00 0.00 178.44 179.20 3kqz h VAL 211 N 0.47 1.20 0.00 1.05 2.07 -0.33 0.37 116.25 121.08 3kqz h VAL 211 Ca 0.12 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3kqz h VAL 211 Cb 0.28 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 3kqz h VAL 211 CO -0.00 0.28 0.00 0.71 0.02 0.00 0.00 177.57 178.57 3kqz h THR 212 N 0.29 0.00 0.00 2.57 1.35 -1.21 -0.65 112.91 115.26 3kqz h THR 212 Ca 0.06 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3kqz h THR 212 Cb 0.42 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 3kqz h THR 212 CO 0.02 0.00 -0.04 0.24 -0.25 0.00 0.00 175.52 175.49 3kqz h MET 213 N 0.00 0.00 0.00 4.72 2.07 -0.79 -3.26 114.93 117.67 3kqz h MET 213 Ca 0.00 0.00 -0.18 0.00 -2.07 0.00 0.00 59.70 57.45 3kqz h MET 213 Cb 0.38 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.08 3kqz h MET 213 CO 0.00 0.00 -1.28 -0.07 1.07 0.00 0.00 176.91 176.63 3kqz h LEU 214 N 0.00 0.00 -9.80 1.22 3.38 -0.78 -3.42 115.31 105.91 3kqz h LEU 214 Ca 0.00 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.49 3kqz h LEU 214 Cb 0.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3kqz h LEU 214 CO 0.00 0.68 0.36 -1.00 0.09 0.00 0.00 178.44 178.57 3kqz s HIS 215 N -2.85 3.87 -1.50 1.13 3.76 -0.39 -3.58 115.29 115.73 3kqz s HIS 215 Ca -0.02 1.86 0.00 0.00 -0.15 0.00 0.00 55.06 56.76 3kqz s HIS 215 Cb 0.08 -2.98 0.00 0.00 1.11 0.00 0.00 32.58 30.79 3kqz s HIS 215 CO 0.80 0.31 0.00 -0.25 -0.85 0.00 0.00 174.74 174.76 3kqz n ASP 216 N 1.17 -4.71 -3.63 1.40 8.00 -1.26 -4.92 116.55 112.60 3kqz n ASP 216 Ca -0.01 0.29 -0.27 0.00 0.71 0.00 0.00 54.79 55.52 3kqz n ASP 216 Cb 0.48 -3.58 -0.17 0.00 -0.02 0.00 0.00 41.12 37.84 3kqz n ASP 216 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3kqz s ASN 217 N -2.74 2.57 -0.89 -2.24 3.84 -1.23 -5.07 114.94 109.17 3kqz s ASN 217 Ca 0.00 -0.72 -0.24 0.00 0.21 0.00 0.00 52.86 52.10 3kqz s ASN 217 Cb 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 41.25 40.38 3kqz s ASN 217 CO 0.00 -0.35 1.68 -0.54 -2.79 0.00 0.00 177.10 175.10 3kqz s LYS 218 N 2.08 3.02 -0.01 0.43 1.02 -1.26 -4.92 119.74 120.10 3kqz s LYS 218 Ca 0.02 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.55 3kqz s LYS 218 Cb -0.16 -5.00 -0.03 0.00 -0.52 0.00 0.00 37.83 32.12 3kqz s LYS 218 CO -0.11 -2.73 -0.07 -0.51 -0.92 0.00 0.00 175.35 171.01 3kqz s LEU 219 N 7.58 3.18 0.09 3.17 1.43 -1.26 -5.03 118.68 127.85 3kqz s LEU 219 Ca 0.57 -0.13 0.18 0.00 -1.03 0.00 0.00 54.13 53.73 3kqz s LEU 219 Cb -0.05 -1.81 -0.11 0.00 0.03 0.00 0.00 46.19 44.26 3kqz s LEU 219 CO 0.00 0.29 0.86 -1.54 0.23 0.00 0.00 176.35 176.20 3kqz n SER 220 N 1.63 0.83 -3.83 2.29 3.41 -1.26 -3.76 113.62 112.93 3kqz n SER 220 Ca -0.16 0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.68 3kqz n SER 220 Cb 0.53 0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 64.62 3kqz n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kqz s LYS 221 N -3.05 0.07 -0.04 4.33 2.20 -1.26 -0.24 119.74 121.75 3kqz s LYS 221 Ca -0.02 0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 3kqz s LYS 221 Cb 0.09 -0.02 -0.02 0.00 -1.51 0.00 0.00 37.83 36.37 3kqz s LYS 221 CO 0.81 -0.05 -0.23 -1.17 -0.36 0.00 0.00 175.35 174.36 3kqz s LEU 222 N 0.29 2.24 -0.02 5.43 2.96 -0.88 -1.34 118.68 127.35 3kqz s LEU 222 Ca -0.02 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 3kqz s LEU 222 Cb -0.03 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 3kqz s LEU 222 CO -0.01 0.31 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.29 3kqz s THR 223 N -0.53 1.20 -0.09 3.68 2.01 -0.45 -0.58 115.64 120.88 3kqz s THR 223 Ca 0.07 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.46 3kqz s THR 223 Cb -0.11 -1.02 0.02 0.00 0.01 0.00 0.00 72.50 71.39 3kqz s THR 223 CO 0.00 0.35 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.49 3kqz s VAL 224 N -0.12 1.07 -0.25 3.82 1.01 -0.25 -0.12 120.40 125.54 3kqz s VAL 224 Ca 0.01 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 3kqz s VAL 224 Cb -0.08 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3kqz s VAL 224 CO 0.01 0.36 0.03 -0.69 0.00 0.00 0.00 175.10 174.80 3kqz s VAL 225 N 1.18 3.77 -0.34 2.92 1.01 0.82 -1.20 120.40 128.55 3kqz s VAL 225 Ca -0.05 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.17 3kqz s VAL 225 Cb -0.14 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.42 3kqz s VAL 225 CO -0.02 0.27 0.84 -0.36 0.00 0.00 0.00 175.10 175.82 3kqz s PHE 226 N 1.51 3.15 -0.20 5.22 0.40 0.21 -0.18 117.98 128.09 3kqz s PHE 226 Ca 0.04 0.75 0.12 0.00 -0.60 0.00 0.00 56.93 57.25 3kqz s PHE 226 Cb -0.16 -3.40 0.42 0.00 0.51 0.00 0.00 43.02 40.40 3kqz s PHE 226 CO 0.00 -0.68 1.21 0.39 0.70 0.00 0.00 175.22 176.84 3kqz n GLU 227 N 6.43 1.56 -4.14 0.44 1.02 -0.46 -4.68 120.64 120.82 3kqz n GLU 227 Ca 0.05 -3.24 -0.16 0.00 -0.02 0.00 0.00 57.16 53.79 3kqz n GLU 227 Cb 0.48 -1.51 -0.11 0.00 -0.02 0.00 0.00 31.44 30.28 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 -3.02 0.89 -0.03 -3.67 -4.36 -1.23 -4.38 121.20 105.40 3kqz s ILE 228 Ca 0.38 -1.31 -0.30 0.00 -0.26 0.00 0.00 60.65 59.16 3kqz s ILE 228 Cb 0.37 -0.99 -0.03 0.00 1.25 0.00 0.00 42.46 43.06 3kqz s ILE 228 CO -0.07 -0.35 1.05 0.20 0.24 0.00 0.00 174.94 176.00 3kqz s ASN 229 N -1.86 7.25 0.02 4.36 0.01 -1.26 -5.03 114.94 118.43 3kqz s ASN 229 Ca -0.03 1.69 0.03 0.00 -0.71 0.00 0.00 52.86 53.84 3kqz s ASN 229 Cb -0.08 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 3kqz s ASN 229 CO 0.01 -0.39 -0.09 0.68 -1.51 0.00 0.00 177.10 175.81 3kqz s VAL 230 N 1.47 0.65 0.73 1.60 -7.23 -1.26 -4.72 120.40 111.65 3kqz s VAL 230 Ca 0.52 -0.72 -0.12 0.00 -1.81 0.00 0.00 61.98 59.85 3kqz s VAL 230 Cb -0.22 -0.62 0.17 0.00 0.56 0.00 0.00 36.38 36.27 3kqz s VAL 230 CO 0.24 -0.07 0.91 -0.90 -0.31 0.00 0.00 175.10 174.97 3kqz n ASP 231 N 2.17 -0.33 -0.24 4.85 5.68 -1.26 -4.80 116.55 122.63 3kqz n ASP 231 Ca -0.18 -1.26 -0.08 0.00 -0.50 0.00 0.00 54.79 52.77 3kqz n ASP 231 Cb 0.56 -0.72 0.04 0.00 -1.14 0.00 0.00 41.12 39.86 3kqz n ASP 231 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 3kqz h LYS 232 N 0.00 1.08 -0.28 0.11 1.57 -1.99 -0.89 116.57 116.16 3kqz h LYS 232 Ca -0.30 -0.27 -0.14 0.00 -1.87 0.00 0.00 60.65 58.07 3kqz h LYS 232 Cb 0.85 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3kqz h LYS 232 CO 0.21 0.97 -0.38 -0.91 -0.57 0.00 0.00 179.45 178.77 3kqz h ASN 233 N 1.00 0.70 0.22 0.86 2.35 -1.92 -0.91 115.58 117.87 3kqz h ASN 233 Ca 0.21 -0.30 -0.20 0.00 -0.55 0.00 0.00 56.30 55.45 3kqz h ASN 233 Cb 0.39 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3kqz h ASN 233 CO 0.01 1.00 -0.78 0.25 -1.65 0.00 0.00 177.43 176.25 3kqz h LEU 234 N 0.55 0.56 -0.11 1.61 5.85 -1.82 0.65 115.31 122.60 3kqz h LEU 234 Ca 0.05 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3kqz h LEU 234 Cb 0.90 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3kqz h LEU 234 CO 0.08 1.15 0.07 0.15 -0.34 0.00 0.00 178.44 179.55 3kqz h PHE 235 N 0.30 0.14 -0.54 1.25 3.57 -0.88 0.38 116.94 121.16 3kqz h PHE 235 Ca -0.04 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.46 3kqz h PHE 235 Cb 1.38 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 3kqz h PHE 235 CO 0.05 0.10 0.36 -0.09 -2.23 0.00 0.00 178.31 176.50 3kqz h ARG 236 N 0.14 0.71 -0.92 1.11 2.43 -0.99 -2.07 114.38 114.78 3kqz h ARG 236 Ca 0.04 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3kqz h ARG 236 Cb -0.01 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 3kqz h ARG 236 CO -0.01 0.47 0.59 0.35 -1.51 0.00 0.00 179.97 179.86 3kqz h PHE 237 N 0.73 1.09 -0.55 2.20 3.57 -0.30 0.11 116.94 123.79 3kqz h PHE 237 Ca 0.20 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.80 3kqz h PHE 237 Cb -0.08 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.25 3kqz h PHE 237 CO -0.04 0.57 0.21 0.35 -2.23 0.00 0.00 178.31 177.18 3kqz h PHE 238 N 1.08 0.37 -0.31 0.41 3.57 0.39 0.33 116.94 122.79 3kqz h PHE 238 Ca 0.39 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.79 3kqz h PHE 238 Cb 0.13 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3kqz h PHE 238 CO -0.02 0.12 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.81 3kqz h LEU 239 N 0.40 0.80 -0.58 0.59 3.38 -0.45 -1.28 115.31 118.18 3kqz h LEU 239 Ca 0.26 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 3kqz h LEU 239 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3kqz h LEU 239 CO -0.25 1.11 0.26 -0.33 0.09 0.00 0.00 178.44 179.32 3kqz h GLU 240 N 0.51 0.85 -0.40 1.13 5.08 -0.69 0.23 114.58 121.29 3kqz h GLU 240 Ca 0.05 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3kqz h GLU 240 Cb 0.89 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3kqz h GLU 240 CO 0.08 0.71 -0.19 1.15 -1.00 0.00 0.00 179.01 179.75 3kqz h THR 241 N 0.80 1.28 0.08 1.13 2.02 -0.88 0.12 112.91 117.45 3kqz h THR 241 Ca 0.20 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 66.06 3kqz h THR 241 Cb 0.15 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 3kqz h THR 241 CO -0.02 0.44 -0.11 0.25 0.37 0.00 0.00 175.52 176.45 3kqz h LEU 242 N 0.64 -0.31 0.03 2.58 5.85 -0.93 0.49 115.31 123.67 3kqz h LEU 242 Ca 0.09 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kqz h LEU 242 Cb 0.75 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3kqz h LEU 242 CO 0.06 -0.17 -0.02 -0.26 -0.34 0.00 0.00 178.44 177.71 3kqz h PHE 243 N -0.23 -0.04 -0.17 1.25 0.04 -0.36 -0.18 116.94 117.25 3kqz h PHE 243 Ca 0.02 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 3kqz h PHE 243 Cb 0.24 0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 3kqz h PHE 243 CO -0.14 -0.01 0.07 -0.92 -0.60 0.00 0.00 178.31 176.72 3kqz h TYR 244 N -0.06 0.25 0.00 -0.55 3.20 -0.54 -0.87 116.97 118.40 3kqz h TYR 244 Ca -0.00 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3kqz h TYR 244 Cb 0.05 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3kqz h TYR 244 CO -0.07 0.30 -0.36 0.93 -1.64 0.00 0.00 178.16 177.31 3kqz h GLU 245 N 0.13 0.00 -0.05 1.82 4.39 0.12 -3.20 114.58 117.80 3kqz h GLU 245 Ca 0.06 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 3kqz h GLU 245 Cb 0.15 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3kqz h GLU 245 CO -0.01 0.36 -0.54 -0.92 -1.16 0.00 0.00 179.01 176.75 3kqz h TYR 246 N 0.00 0.65 -3.19 4.33 3.20 -0.68 -3.44 116.97 117.83 3kqz h TYR 246 Ca -0.00 -0.31 -0.55 0.00 3.14 0.00 0.00 58.73 61.00 3kqz h TYR 246 Cb 0.73 -0.09 0.09 0.00 1.54 0.00 0.00 36.73 39.00 3kqz h TYR 246 CO 0.00 1.11 0.75 -0.12 -1.64 0.00 0.00 178.16 178.26 3kqz n MET 247 N -4.24 2.45 -4.97 1.82 1.56 -0.36 -5.02 117.12 108.37 3kqz n MET 247 Ca -0.09 0.87 -0.32 0.00 -0.27 0.00 0.00 57.70 57.89 3kqz n MET 247 Cb 0.63 -2.59 -0.17 0.00 2.15 0.00 0.00 33.22 33.24 3kqz n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kqz s THR 248 N -0.27 2.16 -0.46 1.12 2.01 -1.26 -4.96 115.64 113.98 3kqz s THR 248 Ca 0.63 -0.97 -0.25 0.00 0.31 0.00 0.00 61.69 61.41 3kqz s THR 248 Cb -0.54 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.15 3kqz s THR 248 CO 0.52 0.55 0.87 -0.62 -0.69 0.00 0.00 174.62 175.26 3kqz s ASP 249 N 0.53 6.47 -0.14 3.53 -1.08 -1.26 -4.88 116.67 119.82 3kqz s ASP 249 Ca -0.14 0.04 0.18 0.00 -0.52 0.00 0.00 52.55 52.11 3kqz s ASP 249 Cb -0.17 -2.43 0.32 0.00 -1.46 0.00 0.00 42.92 39.19 3kqz s ASP 249 CO 0.05 -1.00 1.18 -0.62 0.52 0.00 0.00 175.17 175.29 3kqz n GLU 250 N 7.00 1.42 0.09 4.34 1.02 -1.26 -4.72 120.64 128.53 3kqz n GLU 250 Ca 0.05 -2.69 0.12 0.00 -0.02 0.00 0.00 57.16 54.62 3kqz n GLU 250 Cb 0.48 -1.54 0.61 0.00 -0.02 0.00 0.00 31.44 30.98 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 0.24 0.12 -0.19 3.49 3.08 -1.97 -2.47 114.38 116.68 3kqz h ARG 251 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqz h ARG 251 Cb 1.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3kqz h ARG 251 CO 0.02 0.08 0.00 1.19 -1.07 0.00 0.00 179.97 180.19 3kqz n PHE 252 N -4.47 0.23 -2.80 3.04 3.01 -1.26 -4.90 117.46 110.31 3kqz n PHE 252 Ca 0.04 -0.13 -0.41 0.00 1.01 0.00 0.00 57.45 57.96 3kqz n PHE 252 Cb 0.31 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.51 4.68 0.00 -1.08 -0.14 -0.93 -4.97 119.74 115.79 3kqz s LYS 253 Ca 0.29 1.36 0.00 0.00 -1.36 0.00 0.00 55.97 56.26 3kqz s LYS 253 Cb 0.18 -3.35 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 3kqz s LYS 253 CO 0.26 0.30 0.00 0.45 -0.76 0.00 0.00 175.35 175.60 3kqz n SER 254 N 2.50 0.00 0.14 2.83 2.88 -1.26 -4.85 113.62 115.86 3kqz n SER 254 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 3kqz n SER 254 Cb 0.49 0.00 0.51 0.00 -0.75 0.00 0.00 64.21 64.46 3kqz n SER 254 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kqz n THR 255 N -1.20 0.83 -4.28 2.46 -2.24 -1.26 -5.25 114.28 103.35 3kqz n THR 255 Ca 0.00 0.25 -0.31 0.00 -2.27 0.00 0.00 64.05 61.73 3kqz n THR 255 Cb 0.00 -1.20 -0.10 0.00 -2.10 0.00 0.00 70.33 66.94 3kqz n THR 255 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kqz s ASP 256 N -4.29 4.62 -0.09 3.42 1.01 -1.26 -5.33 116.67 114.74 3kqz s ASP 256 Ca 0.04 -0.26 -0.01 0.00 0.71 0.00 0.00 52.55 53.02 3kqz s ASP 256 Cb 0.09 -1.00 0.03 0.00 1.01 0.00 0.00 42.92 43.05 3kqz s ASP 256 CO 0.39 0.21 -0.00 -1.61 0.21 0.00 0.00 175.17 174.37 3kqz s GLU 262 N -1.99 0.71 0.18 8.23 2.02 -1.26 -4.98 118.70 121.60 3kqz s GLU 262 Ca 0.21 -0.01 -0.03 0.00 0.02 0.00 0.00 54.97 55.17 3kqz s GLU 262 Cb -0.11 -1.20 -0.05 0.00 0.10 0.00 0.00 34.13 32.87 3kqz s GLU 262 CO 0.13 -0.35 0.39 0.71 0.02 0.00 0.00 175.26 176.16 3kqz s TYR 263 N 1.93 3.48 0.71 1.61 1.51 -1.26 -4.71 117.35 120.62 3kqz s TYR 263 Ca 0.04 0.46 -0.16 0.00 -1.01 0.00 0.00 57.07 56.40 3kqz s TYR 263 Cb -0.13 -1.94 0.03 0.00 -0.11 0.00 0.00 41.96 39.81 3kqz s TYR 263 CO -0.06 0.39 1.25 0.96 -1.11 0.00 0.00 175.55 176.98 3kqz s ILE 264 N -1.78 2.12 -0.13 2.71 -4.36 -1.25 -4.84 121.20 113.68 3kqz s ILE 264 Ca 0.40 0.07 0.21 0.00 -0.26 0.00 0.00 60.65 61.07 3kqz s ILE 264 Cb -0.12 -2.78 -0.17 0.00 1.25 0.00 0.00 42.46 40.64 3kqz s ILE 264 CO 0.27 -0.03 0.71 0.29 0.24 0.00 0.00 174.94 176.43 3kqz n LYS 265 N -2.49 0.64 -4.11 0.37 5.02 0.66 -4.67 118.16 113.58 3kqz n LYS 265 Ca 0.15 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 3kqz n LYS 265 Cb 0.49 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.71 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kqz s HIS 266 N -3.28 0.87 -0.07 2.13 3.76 -0.84 -0.04 115.29 117.82 3kqz s HIS 266 Ca -0.05 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.33 3kqz s HIS 266 Cb 0.11 -0.51 0.03 0.00 1.11 0.00 0.00 32.58 33.33 3kqz s HIS 266 CO 0.84 -0.04 0.05 -1.17 -0.85 0.00 0.00 174.74 173.57 3kqz s LEU 267 N -1.74 0.33 -0.02 0.89 2.96 0.47 -2.08 118.68 119.49 3kqz s LEU 267 Ca -0.06 -0.08 -0.06 0.00 -0.22 0.00 0.00 54.13 53.71 3kqz s LEU 267 Cb -0.09 -0.26 -0.05 0.00 0.50 0.00 0.00 46.19 46.30 3kqz s LEU 267 CO 0.01 -0.25 0.24 -0.83 -1.32 0.00 0.00 176.35 174.20 3kqz s GLY 268 N 2.10 2.23 -0.07 7.98 0.00 0.25 -0.62 107.32 119.19 3kqz s GLY 268 Ca 0.04 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3kqz s GLY 268 CO -0.05 -0.40 -0.06 0.14 0.00 0.00 0.00 173.10 172.74 3kqz s VAL 269 N -1.24 0.73 -0.15 1.40 1.01 -0.06 -1.09 120.40 121.00 3kqz s VAL 269 Ca 0.25 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.03 3kqz s VAL 269 Cb -0.13 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3kqz s VAL 269 CO 0.14 0.29 -0.04 -0.31 0.00 0.00 0.00 175.10 175.18 3kqz s TYR 270 N 1.31 3.02 -0.01 5.22 1.51 -0.34 0.10 117.35 128.15 3kqz s TYR 270 Ca -0.04 -0.27 -0.29 0.00 -1.01 0.00 0.00 57.07 55.46 3kqz s TYR 270 Cb -0.14 -1.93 0.08 0.00 -0.11 0.00 0.00 41.96 39.86 3kqz s TYR 270 CO -0.03 0.00 0.70 -1.50 -1.11 0.00 0.00 175.55 173.61 3kqz s ILE 271 N 0.24 0.00 0.57 2.71 2.07 -0.73 -0.62 121.20 125.44 3kqz s ILE 271 Ca -0.03 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.03 3kqz s ILE 271 Cb -0.14 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.41 3kqz s ILE 271 CO 0.03 0.00 1.15 0.20 -1.91 0.00 0.00 174.94 174.40 3kqz s ASN 272 N -1.58 5.49 -1.35 4.50 0.01 -1.26 -1.93 114.94 118.82 3kqz s ASN 272 Ca -0.07 2.20 -0.04 0.00 -0.71 0.00 0.00 52.86 54.24 3kqz s ASN 272 Cb -0.00 -2.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.08 3kqz s ASN 272 CO 0.03 -1.38 0.52 0.59 -1.51 0.00 0.00 177.10 175.35 3kqz n ASN 273 N -1.55 -1.27 -0.01 -1.22 3.02 -1.26 -4.82 115.26 108.15 3kqz n ASN 273 Ca 0.12 -0.99 0.14 0.00 -0.03 0.00 0.00 54.58 53.82 3kqz n ASN 273 Cb 0.51 -3.22 0.58 0.00 -0.61 0.00 0.00 39.78 37.04 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 0.85 2.17 0.00 5.41 0.00 -1.83 -2.29 119.26 123.56 3kqz h ALA 274 Ca -0.64 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 3kqz h ALA 274 Cb 1.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kqz h ALA 274 CO 0.59 -0.29 -0.12 -0.44 0.00 0.00 0.00 179.25 178.98 3kqz h ASP 275 N 0.22 0.00 1.50 0.00 3.45 -1.91 -1.69 116.42 117.99 3kqz h ASP 275 Ca 0.23 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.62 3kqz h ASP 275 Cb 0.62 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.38 3kqz h ASP 275 CO -0.04 0.12 -0.51 0.71 -1.57 0.00 0.00 179.24 177.95 3kqz h THR 276 N 0.00 0.51 0.00 0.35 1.35 -1.77 -3.32 112.91 110.03 3kqz h THR 276 Ca -0.00 -1.75 -0.28 0.00 -0.55 0.00 0.00 66.41 63.83 3kqz h THR 276 Cb 0.46 2.18 -0.05 0.00 -1.73 0.00 0.00 68.15 69.01 3kqz h THR 276 CO 0.02 0.29 -1.72 -1.22 -0.25 0.00 0.00 175.52 172.63 3kqz n TYR 277 N -3.10 0.90 -0.33 4.73 4.02 -0.74 -4.30 117.16 118.35 3kqz n TYR 277 Ca 0.01 0.32 0.15 0.00 -0.01 0.00 0.00 57.90 58.38 3kqz n TYR 277 Cb 0.68 -1.15 0.30 0.00 -0.02 0.00 0.00 39.34 39.14 3kqz n TYR 277 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3kqz n LYS 278 N -2.99 -0.07 0.18 -0.72 5.02 -0.71 0.05 118.16 118.92 3kqz n LYS 278 Ca -0.17 1.42 0.13 0.00 -2.02 0.00 0.00 58.31 57.67 3kqz n LYS 278 Cb 1.03 -2.27 0.62 0.00 -0.02 0.00 0.00 35.03 34.39 3kqz n LYS 278 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3kqz h GLU 279 N 0.00 0.00 0.00 1.97 9.09 -1.79 -1.67 114.58 122.18 3kqz h GLU 279 Ca 0.59 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.00 3kqz h GLU 279 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3kqz h GLU 279 CO -0.88 0.00 0.00 0.39 0.05 0.00 0.00 179.01 178.57 3kqz n GLU 280 N -2.44 0.20 0.00 1.06 -0.58 0.11 -3.95 120.64 115.05 3kqz n GLU 280 Ca 0.00 0.18 -0.13 0.00 -0.42 0.00 0.00 57.16 56.79 3kqz n GLU 280 Cb 0.16 -1.74 -0.09 0.00 -0.57 0.00 0.00 31.44 29.20 3kqz n GLU 280 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3kqz h VAL 281 N 0.00 1.29 0.00 2.62 2.07 -1.39 0.32 116.25 121.16 3kqz h VAL 281 Ca 0.00 -0.98 -0.18 0.00 0.82 0.00 0.00 66.70 66.35 3kqz h VAL 281 Cb 0.67 1.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3kqz h VAL 281 CO 0.00 0.25 -0.86 -0.33 0.02 0.00 0.00 177.57 176.65 3kqz h GLU 282 N -0.46 0.03 -0.27 1.57 4.39 -1.76 -1.61 114.58 116.48 3kqz h GLU 282 Ca -0.00 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.70 3kqz h GLU 282 Cb 0.44 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.06 3kqz h GLU 282 CO 0.01 0.87 0.03 -0.22 -1.16 0.00 0.00 179.01 178.53 3kqz h LYS 283 N 0.02 0.11 -0.99 2.33 3.64 -1.65 -1.02 116.57 119.01 3kqz h LYS 283 Ca -0.02 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3kqz h LYS 283 Cb 1.51 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.24 3kqz h LYS 283 CO 0.12 0.08 0.64 0.00 -2.27 0.00 0.00 179.45 178.02 3kqz h ALA 284 N 1.21 1.40 -0.43 5.00 0.00 -0.15 0.91 119.26 127.20 3kqz h ALA 284 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3kqz h ALA 284 Cb 0.15 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kqz h ALA 284 CO -0.19 0.46 0.24 -0.09 0.00 0.00 0.00 179.25 179.68 3kqz h ARG 285 N 1.18 0.60 0.06 0.00 2.43 -0.26 0.57 114.38 118.96 3kqz h ARG 285 Ca 0.42 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.52 3kqz h ARG 285 Cb 0.13 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3kqz h ARG 285 CO -0.16 0.46 -0.03 0.28 -1.51 0.00 0.00 179.97 179.02 3kqz h VAL 286 N 0.57 1.14 -0.94 0.20 2.07 -0.92 -2.47 116.25 115.89 3kqz h VAL 286 Ca 0.15 -0.66 0.18 0.00 0.82 0.00 0.00 66.70 67.19 3kqz h VAL 286 Cb 0.03 1.57 -0.10 0.00 -1.52 0.00 0.00 31.29 31.28 3kqz h VAL 286 CO -0.03 0.17 0.53 1.88 0.02 0.00 0.00 177.57 180.14 3kqz h TYR 287 N -0.37 0.93 0.01 1.57 -1.99 -0.72 0.35 116.97 116.76 3kqz h TYR 287 Ca -0.01 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kqz h TYR 287 Cb 0.33 -0.27 0.00 0.00 2.00 0.00 0.00 36.73 38.79 3kqz h TYR 287 CO 0.02 0.20 -0.01 -0.92 -0.00 0.00 0.00 178.16 177.45 3kqz h TYR 288 N 0.69 -0.02 -0.38 4.88 3.20 -0.78 -0.72 116.97 123.84 3kqz h TYR 288 Ca 0.54 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.27 3kqz h TYR 288 Cb 0.82 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 3kqz h TYR 288 CO -0.05 -0.00 -0.32 0.35 -1.64 0.00 0.00 178.16 176.50 3kqz h PHE 289 N -0.03 0.97 -0.45 -3.82 3.57 -0.84 0.36 116.94 116.70 3kqz h PHE 289 Ca -0.00 -0.26 0.09 0.00 3.53 0.00 0.00 57.97 61.33 3kqz h PHE 289 Cb 0.02 -0.22 -0.09 0.00 2.79 0.00 0.00 35.95 38.45 3kqz h PHE 289 CO -0.08 1.04 -0.20 0.78 -2.23 0.00 0.00 178.31 177.62 3kqz h GLY 290 N 0.90 0.12 0.98 2.40 0.00 0.06 0.36 103.07 107.90 3kqz h GLY 290 Ca 0.07 0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.55 3kqz h GLY 290 CO 0.08 -0.20 -0.28 -0.84 0.00 0.00 0.00 176.54 175.29 3kqz h THR 291 N -0.11 1.30 -0.36 4.70 2.02 -0.56 -0.63 112.91 119.27 3kqz h THR 291 Ca 0.21 -1.44 -0.12 0.00 0.77 0.00 0.00 66.41 65.83 3kqz h THR 291 Cb 0.44 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3kqz h THR 291 CO -0.52 0.46 -0.28 0.22 0.37 0.00 0.00 175.52 175.77 3kqz h TYR 292 N 0.47 0.86 -0.16 3.16 3.20 0.14 0.17 116.97 124.82 3kqz h TYR 292 Ca 0.05 -0.21 -0.02 0.00 3.14 0.00 0.00 58.73 61.69 3kqz h TYR 292 Cb 0.85 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 3kqz h TYR 292 CO 0.07 0.94 0.01 -0.92 -1.64 0.00 0.00 178.16 176.63 3kqz h TYR 293 N 0.64 0.29 -0.73 -3.82 3.20 -0.03 0.27 116.97 116.80 3kqz h TYR 293 Ca 0.08 -0.05 0.07 0.00 3.14 0.00 0.00 58.73 61.97 3kqz h TYR 293 Cb 0.80 -0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.93 3kqz h TYR 293 CO 0.04 0.46 0.42 0.00 -1.64 0.00 0.00 178.16 177.44 3kqz h ALA 294 N 0.79 0.99 -0.50 1.82 0.00 -0.42 -1.85 119.26 120.09 3kqz h ALA 294 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kqz h ALA 294 Cb 0.34 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3kqz h ALA 294 CO 0.01 0.10 0.26 1.03 0.00 0.00 0.00 179.25 180.65 3kqz h SER 295 N 0.75 0.64 -0.81 0.00 0.87 -0.20 -0.30 113.55 114.50 3kqz h SER 295 Ca 0.33 -0.11 0.09 0.00 -1.23 0.00 0.00 61.79 60.88 3kqz h SER 295 Cb 0.22 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.96 3kqz h SER 295 CO -0.19 0.56 0.53 1.56 -0.53 0.00 0.00 176.83 178.76 3kqz h GLN 296 N 0.67 0.75 -0.08 2.24 4.20 0.34 0.15 115.11 123.39 3kqz h GLN 296 Ca 0.18 -0.05 -0.17 0.00 0.06 0.00 0.00 58.65 58.67 3kqz h GLN 296 Cb 0.07 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.69 3kqz h GLN 296 CO -0.03 0.50 -0.61 -0.07 -0.67 0.00 0.00 178.83 177.96 3kqz h LEU 297 N 0.78 0.67 -0.55 1.46 3.38 -0.87 -1.86 115.31 118.32 3kqz h LEU 297 Ca 0.37 -0.67 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 3kqz h LEU 297 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3kqz h LEU 297 CO -0.14 1.24 -0.28 0.40 0.09 0.00 0.00 178.44 179.74 3kqz h ILE 298 N 0.15 1.27 0.00 1.22 2.04 -0.68 -2.87 117.51 118.64 3kqz h ILE 298 Ca -0.05 -1.44 -0.06 0.00 1.00 0.00 0.00 64.86 64.31 3kqz h ILE 298 Cb 1.26 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.60 3kqz h ILE 298 CO 0.12 0.48 -0.27 0.00 0.00 0.00 0.00 178.15 178.49 3kqz h ALA 299 N 0.94 0.97 -2.36 1.87 0.00 -0.70 -3.40 119.26 116.57 3kqz h ALA 299 Ca 0.08 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.19 3kqz h ALA 299 Cb 0.84 -0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.63 3kqz h ALA 299 CO 0.07 0.33 1.03 0.00 0.00 0.00 0.00 179.25 180.68 3kqz n ALA 300 N -2.22 1.78 -1.15 0.00 0.00 -0.70 -4.94 120.51 113.26 3kqz n ALA 300 Ca 0.01 0.34 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 3kqz n ALA 300 Cb 0.48 -2.51 0.12 0.00 0.00 0.00 0.00 19.45 17.54 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 2.46 1.63 0.49 0.00 0.02 -1.26 -4.59 135.00 133.75 3kqz s PRO 301 Ca 0.83 1.06 0.28 0.00 0.02 0.00 0.00 61.00 63.19 3kqz s PRO 301 Cb -0.57 -1.83 1.22 0.00 0.02 0.00 0.00 34.50 33.34 3kqz s PRO 301 CO 0.40 -2.05 1.95 0.77 -0.33 0.00 0.00 177.00 177.73 3kqz h SER 302 N -1.42 0.00 0.68 2.53 0.02 -1.81 0.68 113.55 114.22 3kqz h SER 302 Ca -0.46 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.35 3kqz h SER 302 Cb 1.26 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.78 3kqz h SER 302 CO 0.52 0.14 -0.65 -0.55 -1.14 0.00 0.00 176.83 175.14 3kqz h ASN 303 N 0.00 0.00 0.03 3.07 -1.07 -1.93 -3.28 115.58 112.40 3kqz h ASN 303 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.32 3kqz h ASN 303 Cb 0.56 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.81 3kqz h ASN 303 CO 0.02 0.65 -0.22 1.88 0.07 0.00 0.00 177.43 179.83 3kqz h TYR 304 N 0.00 0.16 -3.49 4.14 0.05 -0.94 -3.41 116.97 113.48 3kqz h TYR 304 Ca -0.01 -0.11 -0.71 0.00 0.05 0.00 0.00 58.73 57.95 3kqz h TYR 304 Cb 1.17 -0.01 -0.33 0.00 1.01 0.00 0.00 36.73 38.57 3kqz h TYR 304 CO 0.00 1.05 -0.40 0.00 -1.05 0.00 0.00 178.16 177.76 3kqz s ASN 306 N 1.58 3.37 0.34 0.00 2.20 -1.25 -4.29 114.94 116.90 3kqz s ASN 306 Ca 0.12 -1.57 0.06 0.00 -0.94 0.00 0.00 52.86 50.52 3kqz s ASN 306 Cb -0.22 0.27 0.72 0.00 -2.00 0.00 0.00 41.25 40.02 3kqz s ASN 306 CO -0.03 -0.77 1.91 -0.65 -2.94 0.00 0.00 177.10 174.62 3kqz h PRO 307 N 1.68 0.77 0.02 3.55 0.11 -1.88 0.28 132.00 136.54 3kqz h PRO 307 Ca -0.41 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kqz h PRO 307 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3kqz h PRO 307 CO 0.69 0.51 -0.01 0.28 -0.21 0.00 0.00 178.00 179.26 3kqz h VAL 308 N 0.80 1.45 0.00 3.15 2.07 -1.95 -2.40 116.25 119.38 3kqz h VAL 308 Ca 0.38 -1.58 -0.07 0.00 0.82 0.00 0.00 66.70 66.24 3kqz h VAL 308 Cb 0.41 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3kqz h VAL 308 CO -0.15 0.40 -0.35 0.77 0.02 0.00 0.00 177.57 178.25 3kqz h SER 309 N -0.73 0.00 0.24 0.57 4.64 -1.75 0.69 113.55 117.21 3kqz h SER 309 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3kqz h SER 309 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3kqz h SER 309 CO 0.00 0.35 -0.11 0.25 -0.87 0.00 0.00 176.83 176.45 3kqz h LEU 310 N 0.00 -0.27 -0.78 5.97 5.85 -0.53 -0.88 115.31 124.67 3kqz h LEU 310 Ca -0.00 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.51 3kqz h LEU 310 Cb 0.80 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.84 3kqz h LEU 310 CO 0.05 0.19 0.47 0.77 -0.34 0.00 0.00 178.44 179.57 3kqz h SER 311 N -0.82 0.73 -0.94 1.25 4.64 -1.30 -0.76 113.55 116.36 3kqz h SER 311 Ca -0.03 0.02 0.12 0.00 -0.47 0.00 0.00 61.79 61.42 3kqz h SER 311 Cb 0.51 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.38 3kqz h SER 311 CO 0.05 0.48 0.57 0.78 -0.87 0.00 0.00 176.83 177.84 3kqz h ASN 312 N 0.87 0.82 -0.52 4.97 2.35 -0.86 0.96 115.58 124.17 3kqz h ASN 312 Ca 0.34 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 56.11 3kqz h ASN 312 Cb 0.15 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 3kqz h ASN 312 CO -0.16 0.43 0.21 0.00 -1.65 0.00 0.00 177.43 176.26 3kqz h ALA 313 N 1.52 0.68 -0.78 -0.83 0.00 0.21 -1.08 119.26 118.98 3kqz h ALA 313 Ca 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 3kqz h ALA 313 Cb 0.48 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kqz h ALA 313 CO -0.27 0.29 0.37 0.00 0.00 0.00 0.00 179.25 179.64 3kqz h ALA 314 N 1.05 1.19 -0.38 0.00 0.00 -0.40 0.36 119.26 121.08 3kqz h ALA 314 Ca 0.17 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 314 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3kqz h ALA 314 CO -0.01 0.62 0.24 0.28 0.00 0.00 0.00 179.25 180.37 3kqz h VAL 315 N 1.10 1.07 -0.26 0.00 2.07 -0.55 0.12 116.25 119.79 3kqz h VAL 315 Ca 0.27 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 3kqz h VAL 315 Cb 0.11 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3kqz h VAL 315 CO -0.03 0.09 0.04 -0.08 0.02 0.00 0.00 177.57 177.61 3kqz h GLU 316 N 0.48 0.44 -0.56 1.57 4.81 -0.74 0.16 114.58 120.73 3kqz h GLU 316 Ca 0.14 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 3kqz h GLU 316 Cb -0.03 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3kqz h GLU 316 CO -0.05 0.56 0.28 1.25 -0.73 0.00 0.00 179.01 180.32 3kqz h LEU 317 N 0.25 0.40 -1.20 1.64 5.85 -0.75 -0.21 115.31 121.30 3kqz h LEU 317 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3kqz h LEU 317 Cb 0.33 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3kqz h LEU 317 CO 0.01 0.27 0.50 0.00 -0.34 0.00 0.00 178.44 178.87 3kqz h ALA 318 N 1.31 1.41 -0.27 1.25 0.00 -0.03 -1.95 119.26 120.97 3kqz h ALA 318 Ca 0.25 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 3kqz h ALA 318 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kqz h ALA 318 CO -0.18 0.53 -0.43 1.96 0.00 0.00 0.00 179.25 181.13 3kqz h GLN 319 N 1.07 0.68 0.00 0.00 4.20 0.47 0.12 115.11 121.64 3kqz h GLN 319 Ca 0.28 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 3kqz h GLN 319 Cb -0.09 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.70 3kqz h GLN 319 CO -0.06 0.98 -0.13 0.87 -0.67 0.00 0.00 178.83 179.82 3kqz h LYS 320 N 0.55 0.00 -0.01 1.46 1.57 -0.63 -3.25 116.57 116.26 3kqz h LYS 320 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kqz h LYS 320 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3kqz h LYS 320 CO 0.09 0.13 -0.14 1.28 -0.57 0.00 0.00 179.45 180.23 3kqz n LEU 321 N -3.37 1.38 -2.93 2.94 4.77 -0.78 -4.99 117.00 114.03 3kqz n LEU 321 Ca -0.01 -0.84 -0.21 0.00 -0.03 0.00 0.00 56.01 54.93 3kqz n LEU 321 Cb 0.32 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.45 3kqz n LEU 321 CO 0.30 0.27 0.06 0.59 -1.33 0.00 0.00 177.39 177.29 3kqz n ASN 322 N -0.01 -5.85 -4.89 -1.43 3.02 0.30 -4.92 115.26 101.48 3kqz n ASN 322 Ca 0.05 -0.33 -0.29 0.00 -0.03 0.00 0.00 54.58 53.98 3kqz n ASN 322 Cb 0.22 -4.61 -0.02 0.00 -0.61 0.00 0.00 39.78 34.75 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 -6.33 3.86 0.42 3.41 1.43 -0.42 -4.99 118.68 116.06 3kqz s LEU 323 Ca 0.35 0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 54.17 3kqz s LEU 323 Cb -0.15 -3.82 -0.09 0.00 0.03 0.00 0.00 46.19 42.15 3kqz s LEU 323 CO 0.43 -0.38 1.02 -1.61 0.23 0.00 0.00 176.35 176.05 3kqz s GLU 324 N -3.98 4.10 -0.07 1.70 2.02 -0.24 -4.65 118.70 117.58 3kqz s GLU 324 Ca 0.48 1.39 -0.10 0.00 0.02 0.00 0.00 54.97 56.76 3kqz s GLU 324 Cb -0.10 -2.37 0.02 0.00 0.10 0.00 0.00 34.13 31.77 3kqz s GLU 324 CO 0.34 -0.18 0.26 1.52 0.02 0.00 0.00 175.26 177.22 3kqz s TYR 325 N -1.83 -0.22 -0.06 1.61 -0.85 -1.26 -0.86 117.35 113.89 3kqz s TYR 325 Ca 0.61 0.49 0.01 0.00 -0.52 0.00 0.00 57.07 57.66 3kqz s TYR 325 Cb -0.18 0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.25 3kqz s TYR 325 CO 0.23 -0.22 -0.08 0.21 -1.52 0.00 0.00 175.55 174.17 3kqz s LYS 326 N -0.41 1.25 -0.26 -3.49 2.20 -0.05 -5.01 119.74 113.96 3kqz s LYS 326 Ca -0.05 -0.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.26 3kqz s LYS 326 Cb -0.03 -1.13 0.01 0.00 -1.51 0.00 0.00 37.83 35.16 3kqz s LYS 326 CO 0.01 -0.05 0.02 0.42 -0.36 0.00 0.00 175.35 175.40 3kqz s ILE 327 N 0.86 3.61 -0.07 5.43 -1.09 -1.26 -1.28 121.20 127.39 3kqz s ILE 327 Ca -0.12 -0.68 -0.24 0.00 -2.23 0.00 0.00 60.65 57.38 3kqz s ILE 327 Cb -0.15 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 3kqz s ILE 327 CO 0.01 0.20 0.73 -0.76 -1.23 0.00 0.00 174.94 173.90 3kqz s LEU 328 N 1.46 4.31 0.00 2.97 1.02 0.54 -4.87 118.68 124.12 3kqz s LEU 328 Ca 0.03 1.22 0.06 0.00 0.02 0.00 0.00 54.13 55.46 3kqz s LEU 328 Cb -0.16 -3.13 0.06 0.00 0.02 0.00 0.00 46.19 42.98 3kqz s LEU 328 CO -0.00 -0.15 0.49 0.61 0.02 0.00 0.00 176.35 177.32 3kqz n GLY 329 N 3.13 2.22 0.23 -3.19 0.00 -1.26 -0.75 105.19 105.56 3kqz n GLY 329 Ca -0.00 -2.22 -0.01 0.00 0.00 0.00 0.00 46.02 43.79 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 0.24 0.82 0.07 1.61 2.07 -1.95 0.23 116.25 119.34 3kqz h VAL 330 Ca -0.21 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.17 3kqz h VAL 330 Cb 0.90 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3kqz h VAL 330 CO 0.31 0.08 -0.12 0.50 0.02 0.00 0.00 177.57 178.36 3kqz h LYS 331 N 0.44 -0.23 -0.07 1.57 1.63 -1.95 -0.36 116.57 117.60 3kqz h LYS 331 Ca 0.29 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 60.05 3kqz h LYS 331 Cb 0.31 0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 3kqz h LYS 331 CO -0.27 -0.15 -0.22 1.49 -3.45 0.00 0.00 179.45 176.85 3kqz h GLU 332 N -0.24 0.12 -0.00 1.90 4.81 -1.80 -2.25 114.58 117.12 3kqz h GLU 332 Ca 0.02 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3kqz h GLU 332 Cb 0.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3kqz h GLU 332 CO -0.06 0.33 -0.62 -0.07 -0.73 0.00 0.00 179.01 177.86 3kqz h LEU 333 N 0.11 0.01 -0.08 1.64 3.38 -0.27 -1.18 115.31 118.91 3kqz h LEU 333 Ca 0.02 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3kqz h LEU 333 Cb 0.45 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3kqz h LEU 333 CO 0.03 0.62 -0.29 -0.33 0.09 0.00 0.00 178.44 178.57 3kqz h GLU 334 N 0.00 0.34 -0.88 1.13 5.08 -0.89 -2.03 114.58 117.33 3kqz h GLU 334 Ca -0.01 -0.26 0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3kqz h GLU 334 Cb 1.10 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.30 3kqz h GLU 334 CO 0.08 0.88 0.48 1.49 -1.00 0.00 0.00 179.01 180.94 3kqz h GLU 335 N -0.13 0.66 0.00 2.33 4.57 -1.27 0.11 114.58 120.86 3kqz h GLU 335 Ca -0.01 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3kqz h GLU 335 Cb 0.92 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3kqz h GLU 335 CO 0.06 0.44 0.00 1.28 -1.18 0.00 0.00 179.01 179.61 3kqz n LEU 336 N -4.83 0.00 -1.66 1.64 4.77 -0.46 -4.91 117.00 111.55 3kqz n LEU 336 Ca 0.18 0.21 -0.11 0.00 -0.03 0.00 0.00 56.01 56.26 3kqz n LEU 336 Cb 0.44 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3kqz n LEU 336 CO 0.22 -0.02 0.03 0.29 -1.33 0.00 0.00 177.39 176.58 3kqz n LYS 337 N -1.21 -2.68 -2.12 3.23 5.02 0.39 -4.64 118.16 116.15 3kqz n LYS 337 Ca 0.15 0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 56.45 3kqz n LYS 337 Cb 0.19 -4.26 -0.00 0.00 -0.02 0.00 0.00 35.03 30.94 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -2.38 3.79 0.19 1.97 2.81 -0.91 -1.49 117.12 121.11 3kqz n MET 338 Ca -0.04 -3.32 0.07 0.00 -1.81 0.00 0.00 57.70 52.60 3kqz n MET 338 Cb 0.55 -2.88 0.32 0.00 -0.71 0.00 0.00 33.22 30.50 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 7.46 0.00 0.68 3.03 0.00 -1.70 0.22 103.07 112.76 3kqz h GLY 339 Ca 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 3kqz h GLY 339 CO 1.63 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 178.08 3kqz h ALA 340 N 1.68 -0.25 -0.38 3.60 0.00 -1.83 -1.96 119.26 120.13 3kqz h ALA 340 Ca -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kqz h ALA 340 Cb 0.93 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3kqz h ALA 340 CO 0.04 -0.48 0.17 -0.92 0.00 0.00 0.00 179.25 178.06 3kqz h TYR 341 N -0.57 0.56 -0.56 0.00 3.20 -1.59 -2.89 116.97 115.11 3kqz h TYR 341 Ca -0.03 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 3kqz h TYR 341 Cb 0.43 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3kqz h TYR 341 CO 0.03 0.49 0.10 -0.07 -1.64 0.00 0.00 178.16 177.06 3kqz h LEU 342 N 0.46 0.84 -0.09 2.82 3.38 -0.62 -3.08 115.31 119.03 3kqz h LEU 342 Ca 0.13 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kqz h LEU 342 Cb 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kqz h LEU 342 CO -0.01 0.85 -0.02 0.28 0.09 0.00 0.00 178.44 179.63 3kqz h SER 343 N 0.85 -0.08 -0.90 -0.43 0.02 -1.17 -1.85 113.55 110.00 3kqz h SER 343 Ca 0.18 0.03 0.15 0.00 -0.84 0.00 0.00 61.79 61.31 3kqz h SER 343 Cb 0.37 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.89 3kqz h SER 343 CO 0.01 -0.03 0.58 0.58 -1.14 0.00 0.00 176.83 176.83 3kqz h VAL 344 N 0.01 0.81 -0.01 2.27 2.07 -1.42 -2.26 116.25 117.72 3kqz h VAL 344 Ca 0.04 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3kqz h VAL 344 Cb 0.07 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3kqz h VAL 344 CO -0.09 0.12 -0.12 0.61 0.02 0.00 0.00 177.57 178.11 3kqz n GLY 345 N -1.43 -0.49 0.36 2.17 0.00 -0.74 -4.25 105.19 100.81 3kqz n GLY 345 Ca 0.18 -0.38 0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 1.40 0.48 -0.44 1.61 1.57 -0.92 -2.06 116.57 118.22 3kqz h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kqz h LYS 346 Cb 0.44 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3kqz h LYS 346 CO 0.00 0.32 0.00 0.41 -0.57 0.00 0.00 179.45 179.61 3kqz n GLY 347 N -1.50 0.89 3.76 3.86 0.00 -1.25 -4.46 105.19 106.49 3kqz n GLY 347 Ca 0.12 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.86 5.35 0.15 1.61 0.15 -0.78 -4.46 113.70 114.87 3kqz s SER 348 Ca 0.22 -0.15 0.26 0.00 0.70 0.00 0.00 55.95 56.99 3kqz s SER 348 Cb 0.13 -1.36 0.93 0.00 -1.71 0.00 0.00 66.02 64.01 3kqz s SER 348 CO 0.13 0.11 1.81 1.15 1.20 0.00 0.00 173.24 177.63 3kqz n MET 349 N -0.03 0.18 -3.48 5.44 0.00 -1.26 -4.70 117.12 113.27 3kqz n MET 349 Ca -0.09 0.17 -0.38 0.00 0.00 0.00 0.00 57.70 57.40 3kqz n MET 349 Cb 0.54 -1.72 -0.09 0.00 0.00 0.00 0.00 33.22 31.94 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 -3.09 3.27 0.45 3.17 1.51 -1.26 -4.87 117.35 116.54 3kqz s TYR 350 Ca 0.11 0.35 -0.25 0.00 -1.01 0.00 0.00 57.07 56.27 3kqz s TYR 350 Cb 0.14 -2.47 -0.08 0.00 -0.11 0.00 0.00 41.96 39.43 3kqz s TYR 350 CO 0.56 -0.13 1.44 -1.25 -1.11 0.00 0.00 175.55 175.06 3kqz s PRO 351 N 1.70 3.69 0.53 -1.71 0.04 -1.26 -4.81 135.00 133.17 3kqz s PRO 351 Ca 0.13 2.45 -0.21 0.00 0.04 0.00 0.00 61.00 63.40 3kqz s PRO 351 Cb -0.15 -2.67 -0.07 0.00 0.04 0.00 0.00 34.50 31.65 3kqz s PRO 351 CO 0.09 -0.82 0.98 0.09 0.04 0.00 0.00 177.00 177.37 3kqz n ASN 352 N -0.18 0.98 -3.69 6.66 4.13 -1.26 -4.61 115.26 117.28 3kqz n ASN 352 Ca 0.05 0.90 -0.18 0.00 1.68 0.00 0.00 54.58 57.03 3kqz n ASN 352 Cb 0.42 -1.37 -0.17 0.00 -1.54 0.00 0.00 39.78 37.11 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 -2.43 -0.04 -0.29 3.52 -0.14 -0.97 -3.97 119.74 115.42 3kqz s LYS 353 Ca 0.70 0.38 -0.10 0.00 -1.36 0.00 0.00 55.97 55.59 3kqz s LYS 353 Cb -0.47 -0.39 -0.03 0.00 -1.68 0.00 0.00 37.83 35.26 3kqz s LYS 353 CO 0.52 -0.28 0.16 0.12 -0.76 0.00 0.00 175.35 175.10 3kqz s PHE 354 N 1.92 3.18 -0.17 3.18 2.19 0.07 -1.92 117.98 126.43 3kqz s PHE 354 Ca 0.01 -0.27 -0.18 0.00 0.33 0.00 0.00 56.93 56.82 3kqz s PHE 354 Cb -0.12 -2.36 -0.04 0.00 -1.31 0.00 0.00 43.02 39.19 3kqz s PHE 354 CO -0.04 -0.33 0.50 0.42 1.83 0.00 0.00 175.22 177.60 3kqz s ILE 355 N 1.68 5.14 -0.42 3.12 1.01 -1.18 -0.34 121.20 130.21 3kqz s ILE 355 Ca 0.06 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.67 3kqz s ILE 355 Cb -0.16 -3.83 0.13 0.00 0.01 0.00 0.00 42.46 38.61 3kqz s ILE 355 CO 0.08 0.23 0.22 -2.28 0.00 0.00 0.00 174.94 173.19 3kqz s HIS 356 N 1.28 1.85 0.17 3.97 2.46 -0.41 -2.56 115.29 122.05 3kqz s HIS 356 Ca 0.24 -2.29 -0.15 0.00 0.47 0.00 0.00 55.06 53.33 3kqz s HIS 356 Cb -0.15 -1.79 -0.07 0.00 -0.13 0.00 0.00 32.58 30.43 3kqz s HIS 356 CO 0.10 -0.80 0.59 -0.51 -2.47 0.00 0.00 174.74 171.65 3kqz s LEU 357 N 0.55 4.33 -0.06 8.88 1.02 -0.38 -0.87 118.68 132.15 3kqz s LEU 357 Ca 0.17 1.14 -0.00 0.00 0.02 0.00 0.00 54.13 55.45 3kqz s LEU 357 Cb -0.24 -3.36 0.03 0.00 0.02 0.00 0.00 46.19 42.64 3kqz s LEU 357 CO -0.02 0.08 -0.01 -0.89 0.02 0.00 0.00 176.35 175.52 3kqz s THR 358 N -1.50 0.39 -0.22 5.49 2.01 -0.04 0.23 115.64 122.00 3kqz s THR 358 Ca 0.39 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 3kqz s THR 358 Cb -0.15 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 3kqz s THR 358 CO 0.19 0.23 0.08 -0.47 -0.69 0.00 0.00 174.62 173.96 3kqz s TYR 359 N 1.51 3.17 -0.06 4.92 5.04 0.64 -1.08 117.35 131.48 3kqz s TYR 359 Ca -0.02 -0.14 0.03 0.00 -2.44 0.00 0.00 57.07 54.50 3kqz s TYR 359 Cb -0.13 -2.17 -0.02 0.00 0.35 0.00 0.00 41.96 39.98 3kqz s TYR 359 CO -0.03 -0.10 -0.13 -1.59 -1.34 0.00 0.00 175.55 172.36 3kqz s LYS 360 N 1.03 2.66 0.53 4.97 0.00 -1.26 -0.55 119.74 127.13 3kqz s LYS 360 Ca 0.04 -0.68 -0.19 0.00 0.00 0.00 0.00 55.97 55.14 3kqz s LYS 360 Cb -0.14 -2.44 -0.06 0.00 0.00 0.00 0.00 37.83 35.19 3kqz s LYS 360 CO 0.03 0.56 1.07 -1.12 0.00 0.00 0.00 175.35 175.89 3kqz s SER 361 N -0.57 6.01 0.28 0.03 0.01 -0.74 -4.98 113.70 113.74 3kqz s SER 361 Ca 0.08 1.97 0.26 0.00 1.31 0.00 0.00 55.95 59.57 3kqz s SER 361 Cb -0.11 -2.56 0.85 0.00 0.21 0.00 0.00 66.02 64.41 3kqz s SER 361 CO 0.01 -1.01 1.75 0.07 0.41 0.00 0.00 173.24 174.48 3kqz h LYS 362 N 1.16 0.00 0.00 12.44 -0.00 -1.91 -3.46 116.57 124.80 3kqz h LYS 362 Ca -0.49 0.00 -0.55 0.00 -0.00 0.00 0.00 60.65 59.61 3kqz h LYS 362 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.45 3kqz h LYS 362 CO 0.58 0.00 -0.18 0.41 -0.00 0.00 0.00 179.45 180.26 3kqz n GLY 363 N 0.80 2.38 3.68 0.07 0.00 -1.26 -5.02 105.19 105.84 3kqz n GLY 363 Ca 0.04 -2.27 -0.52 0.00 0.00 0.00 0.00 46.02 43.27 3kqz n GLY 363 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kqz n ASP 364 N -2.05 2.77 -4.67 1.61 3.85 -1.26 -4.58 116.55 112.22 3kqz n ASP 364 Ca 0.07 1.04 -0.43 0.00 -0.71 0.00 0.00 54.79 54.76 3kqz n ASP 364 Cb 0.63 -1.26 -0.02 0.00 -1.35 0.00 0.00 41.12 39.11 3kqz n ASP 364 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3kqz s VAL 365 N 3.12 4.73 -0.04 2.12 1.01 -1.26 -4.34 120.40 125.73 3kqz s VAL 365 Ca 0.93 2.00 0.10 0.00 0.00 0.00 0.00 61.98 65.01 3kqz s VAL 365 Cb -0.88 -4.30 -0.16 0.00 0.00 0.00 0.00 36.38 31.05 3kqz s VAL 365 CO 0.55 -0.11 0.24 0.29 0.00 0.00 0.00 175.10 176.07 3kqz n LYS 366 N 5.84 0.50 -3.97 2.72 5.02 -0.08 -4.94 118.16 123.25 3kqz n LYS 366 Ca 0.10 -0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 56.17 3kqz n LYS 366 Cb 0.47 -1.23 -0.14 0.00 -0.02 0.00 0.00 35.03 34.11 3kqz n LYS 366 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3kqz s LYS 367 N -2.67 0.18 -0.10 1.97 1.02 -1.04 -5.04 119.74 114.05 3kqz s LYS 367 Ca -0.03 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 55.93 3kqz s LYS 367 Cb 0.07 -0.20 -0.01 0.00 -0.52 0.00 0.00 37.83 37.16 3kqz s LYS 367 CO 0.42 0.02 -0.17 0.15 -0.92 0.00 0.00 175.35 174.85 3kqz s LYS 368 N 0.10 3.09 -0.02 1.68 1.02 -1.26 -0.88 119.74 123.47 3kqz s LYS 368 Ca -0.01 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.26 3kqz s LYS 368 Cb -0.03 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.82 3kqz s LYS 368 CO -0.00 0.28 -0.10 0.42 -0.92 0.00 0.00 175.35 175.03 3kqz s ILE 369 N 0.13 0.84 -0.20 2.17 1.01 0.12 -0.96 121.20 124.32 3kqz s ILE 369 Ca -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.12 3kqz s ILE 369 Cb -0.15 -0.74 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 3kqz s ILE 369 CO 0.05 0.26 -0.04 0.00 0.00 0.00 0.00 174.94 175.22 3kqz s ALA 370 N 0.11 2.89 -0.21 9.38 0.00 0.12 0.11 121.76 134.16 3kqz s ALA 370 Ca -0.02 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 3kqz s ALA 370 Cb -0.08 -1.66 -0.02 0.00 0.00 0.00 0.00 23.12 21.35 3kqz s ALA 370 CO 0.00 -0.20 0.01 -0.51 0.00 0.00 0.00 175.76 175.06 3kqz s LEU 371 N 1.10 3.30 -0.15 0.00 1.43 0.92 -0.18 118.68 125.09 3kqz s LEU 371 Ca 0.02 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3kqz s LEU 371 Cb -0.15 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.24 3kqz s LEU 371 CO 0.00 0.05 -0.20 -0.69 0.23 0.00 0.00 176.35 175.74 3kqz s VAL 372 N 1.12 1.94 -0.09 -1.59 1.01 0.43 0.93 120.40 124.15 3kqz s VAL 372 Ca 0.03 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3kqz s VAL 372 Cb -0.14 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3kqz s VAL 372 CO 0.02 0.52 -0.15 -0.83 0.00 0.00 0.00 175.10 174.66 3kqz s GLY 373 N 1.03 1.50 0.26 4.51 0.00 -0.97 -0.08 107.32 113.59 3kqz s GLY 373 Ca -0.03 -0.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.45 3kqz s GLY 373 CO -0.06 -0.46 1.63 1.17 0.00 0.00 0.00 173.10 175.38 3kqz n LYS 374 N 3.00 2.70 -3.21 2.90 4.81 -0.71 -4.10 118.16 123.55 3kqz n LYS 374 Ca -0.18 0.97 -0.23 0.00 -0.87 0.00 0.00 58.31 57.99 3kqz n LYS 374 Cb 0.52 -2.77 -0.06 0.00 0.02 0.00 0.00 35.03 32.75 3kqz n LYS 374 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kqz n GLY 375 N 2.73 3.76 3.43 3.14 0.00 -1.26 -0.09 105.19 116.90 3kqz n GLY 375 Ca 0.11 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.15 5.19 -0.13 -0.61 -1.09 -0.43 -1.97 121.20 120.01 3kqz s ILE 376 Ca 0.39 -0.81 0.27 0.00 -2.23 0.00 0.00 60.65 58.27 3kqz s ILE 376 Cb 0.23 -3.96 0.33 0.00 -1.58 0.00 0.00 42.46 37.48 3kqz s ILE 376 CO -0.09 -0.39 1.78 0.71 -1.23 0.00 0.00 174.94 175.73 3kqz h THR 377 N 5.69 0.11 -2.93 2.92 1.35 -1.44 -2.38 112.91 116.24 3kqz h THR 377 Ca -0.27 -0.88 -0.14 0.00 -0.55 0.00 0.00 66.41 64.56 3kqz h THR 377 Cb 1.12 1.79 -0.25 0.00 -1.73 0.00 0.00 68.15 69.08 3kqz h THR 377 CO 0.77 0.05 -0.33 0.12 -0.25 0.00 0.00 175.52 175.88 3kqz s PHE 378 N -3.44 -0.37 -0.38 4.73 5.36 -1.26 -4.25 117.98 118.38 3kqz s PHE 378 Ca 0.04 0.89 0.03 0.00 -0.96 0.00 0.00 56.93 56.92 3kqz s PHE 378 Cb 0.07 0.13 0.11 0.00 -0.34 0.00 0.00 43.02 42.98 3kqz s PHE 378 CO 0.62 -0.18 0.11 0.34 -1.46 0.00 0.00 175.22 174.64 3kqz s ASP 379 N 0.22 4.81 0.14 6.13 2.15 -1.20 -1.50 116.67 127.42 3kqz s ASP 379 Ca -0.00 -2.24 0.24 0.00 0.43 0.00 0.00 52.55 50.97 3kqz s ASP 379 Cb -0.03 -1.67 0.92 0.00 -0.30 0.00 0.00 42.92 41.85 3kqz s ASP 379 CO -0.00 -0.39 1.74 -1.54 -0.17 0.00 0.00 175.17 174.81 3kqz n SER 380 N 4.17 0.44 0.00 -0.34 3.41 -0.68 -4.81 113.62 115.82 3kqz n SER 380 Ca 0.03 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3kqz n SER 380 Cb 0.41 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.68 3kqz n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kqz n GLY 381 N 0.77 2.14 7.00 5.00 0.00 -1.26 -0.84 105.19 118.00 3kqz n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -2.00 -0.15 0.45 -0.02 0.00 -1.26 -1.90 105.19 100.32 3kqz n GLY 382 Ca 0.00 -1.02 0.27 0.00 0.00 0.00 0.00 46.02 45.27 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 0.27 -0.14 1.61 0.05 -1.81 -1.60 116.97 115.35 3kqz h TYR 383 Ca 0.00 0.01 -0.69 0.00 0.05 0.00 0.00 58.73 58.10 3kqz h TYR 383 Cb 0.00 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.65 3kqz h TYR 383 CO 0.00 0.04 3.42 0.09 -1.05 0.00 0.00 178.16 180.66 3kqz n ASN 384 N -4.39 6.78 -4.76 3.88 4.13 -1.17 -4.98 115.26 114.76 3kqz n ASN 384 Ca 0.22 -2.73 -0.39 0.00 1.68 0.00 0.00 54.58 53.36 3kqz n ASN 384 Cb 0.96 -1.58 0.03 0.00 -1.54 0.00 0.00 39.78 37.65 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3kqz s LEU 385 N 0.74 3.99 -0.89 3.41 2.96 -0.60 -4.44 118.68 123.85 3kqz s LEU 385 Ca 0.59 2.80 -0.25 0.00 -0.22 0.00 0.00 54.13 57.06 3kqz s LEU 385 Cb 0.16 -4.11 0.04 0.00 0.50 0.00 0.00 46.19 42.78 3kqz s LEU 385 CO -0.07 -1.33 1.37 -0.54 -1.32 0.00 0.00 176.35 174.46 3kqz s LYS 386 N -2.67 3.41 0.00 1.98 1.02 -0.02 -4.59 119.74 118.87 3kqz s LYS 386 Ca 0.66 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.93 3kqz s LYS 386 Cb -0.41 -4.82 0.00 0.00 -0.52 0.00 0.00 37.83 32.08 3kqz s LYS 386 CO 0.51 -2.18 0.00 0.00 -0.92 0.00 0.00 175.35 172.76 3kqz n ALA 387 N 9.11 1.94 -1.78 5.17 0.00 -1.26 -4.70 120.51 128.99 3kqz n ALA 387 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 3kqz n ALA 387 Cb 0.50 0.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz s ALA 388 N -1.94 3.06 0.33 0.00 0.00 -1.26 -4.97 121.76 116.98 3kqz s ALA 388 Ca 0.00 0.76 -0.28 0.00 0.00 0.00 0.00 51.96 52.44 3kqz s ALA 388 Cb 0.00 -3.30 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 3kqz s ALA 388 CO 0.00 -0.33 1.24 -2.30 0.00 0.00 0.00 175.76 174.37 3kqz n PRO 389 N -0.17 1.99 -0.01 0.00 -0.02 -1.26 -1.53 135.00 134.00 3kqz n PRO 389 Ca 0.06 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3kqz n PRO 389 Cb 0.49 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 0.87 2.52 0.08 -1.23 0.00 -1.26 -4.89 105.19 101.28 3kqz n GLY 390 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3kqz n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kqz n SER 391 N 0.00 0.39 -3.86 1.61 3.41 -0.58 -4.94 113.62 109.64 3kqz n SER 391 Ca 0.00 0.61 -0.25 0.00 -0.26 0.00 0.00 58.87 58.97 3kqz n SER 391 Cb 0.00 -0.68 0.01 0.00 -0.26 0.00 0.00 64.21 63.27 3kqz n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kqz n MET 392 N -1.94 -4.29 0.28 4.33 2.81 -1.26 -4.86 117.12 112.19 3kqz n MET 392 Ca 0.02 0.52 0.13 0.00 -1.81 0.00 0.00 57.70 56.56 3kqz n MET 392 Cb 0.18 -4.98 0.83 0.00 -0.71 0.00 0.00 33.22 28.54 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 -1.86 0.66 0.00 2.02 2.10 -1.92 -1.10 117.51 117.41 3kqz h ILE 393 Ca -0.61 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.33 3kqz h ILE 393 Cb 1.37 0.99 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 3kqz h ILE 393 CO 0.62 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.79 3kqz n ASP 394 N -4.05 0.16 -0.52 2.19 5.75 -1.26 -2.02 116.55 116.80 3kqz n ASP 394 Ca -0.03 0.53 0.11 0.00 -0.01 0.00 0.00 54.79 55.39 3kqz n ASP 394 Cb 0.10 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 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 -1.67 2.08 0.00 -2.12 7.94 -0.42 -4.60 117.00 118.21 3kqz n LEU 395 Ca 0.05 -0.78 0.04 0.00 -1.11 0.00 0.00 56.01 54.21 3kqz n LEU 395 Cb 0.25 0.00 0.19 0.00 0.53 0.00 0.00 43.42 44.39 3kqz n LEU 395 CO 0.20 0.38 0.61 0.23 -1.11 0.00 0.00 177.39 177.71 3kqz n MET 396 N 0.06 0.04 0.22 1.96 2.81 -0.86 -1.35 117.12 120.00 3kqz n MET 396 Ca 0.09 0.31 0.17 0.00 -1.81 0.00 0.00 57.70 56.46 3kqz n MET 396 Cb 0.47 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.23 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 -0.01 0.03 2.10 -1.82 -1.64 116.57 115.24 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 -0.02 1.97 -2.00 0.00 0.00 179.45 179.40 3kqz n PHE 398 N -3.25 0.00 1.31 0.07 -0.00 -0.46 -3.63 117.46 111.51 3kqz n PHE 398 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3kqz n PHE 398 Cb 0.53 -0.02 0.02 0.00 -0.00 0.00 0.00 39.48 40.01 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 -0.39 0.00 -0.38 5.98 2.03 -0.62 -1.18 116.55 121.99 3kqz n ASP 399 Ca 0.20 -1.29 0.09 0.00 0.52 0.00 0.00 54.79 54.31 3kqz n ASP 399 Cb 0.26 0.00 0.18 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.52 2.02 -0.35 -0.67 0.00 -0.89 -1.31 117.12 115.40 3kqz n MET 400 Ca 0.00 -2.59 0.12 0.00 0.00 0.00 0.00 57.70 55.23 3kqz n MET 400 Cb 0.00 -1.59 0.31 0.00 0.00 0.00 0.00 33.22 31.95 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 0.71 0.80 0.31 3.17 0.02 -1.33 -0.40 113.55 116.83 3kqz h SER 401 Ca 0.00 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3kqz h SER 401 Cb 1.12 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 3kqz h SER 401 CO 0.08 0.33 -0.29 1.23 -1.14 0.00 0.00 176.83 177.04 3kqz h GLY 402 N 0.81 -0.68 0.48 -3.77 0.00 -1.72 0.31 103.07 98.50 3kqz h GLY 402 Ca 0.55 0.34 0.09 0.00 0.00 0.00 0.00 47.33 48.31 3kqz h GLY 402 CO -0.34 -0.26 0.35 0.00 0.00 0.00 0.00 176.54 176.29 3kqz h ALA 404 N 1.42 0.51 -0.81 0.00 0.00 -0.83 0.23 119.26 119.79 3kqz h ALA 404 Ca 0.34 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3kqz h ALA 404 Cb 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3kqz h ALA 404 CO -0.26 -0.13 0.39 0.00 0.00 0.00 0.00 179.25 179.25 3kqz h ALA 405 N 1.20 1.16 -0.29 0.00 0.00 -0.19 0.88 119.26 122.02 3kqz h ALA 405 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3kqz h ALA 405 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3kqz h ALA 405 CO -0.10 0.64 0.09 0.28 0.00 0.00 0.00 179.25 180.15 3kqz h VAL 406 N 1.15 1.20 -0.78 0.00 2.07 -0.10 0.37 116.25 120.16 3kqz h VAL 406 Ca 0.28 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3kqz h VAL 406 Cb 0.11 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kqz h VAL 406 CO -0.04 0.22 0.42 -0.07 0.02 0.00 0.00 177.57 178.12 3kqz h LEU 407 N 0.32 0.99 -1.19 2.57 3.38 -0.65 0.21 115.31 120.93 3kqz h LEU 407 Ca 0.09 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3kqz h LEU 407 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3kqz h LEU 407 CO -0.00 0.81 -0.21 1.23 0.09 0.00 0.00 178.44 180.36 3kqz h GLY 408 N 1.09 0.32 1.07 0.83 0.00 -0.60 0.13 103.07 105.91 3kqz h GLY 408 Ca 0.27 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 3kqz h GLY 408 CO -0.04 0.21 -0.27 0.00 0.00 0.00 0.00 176.54 176.45 3kqz h ALA 410 N 0.80 1.75 0.04 0.00 0.00 0.70 0.23 119.26 122.79 3kqz h ALA 410 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kqz h ALA 410 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3kqz h ALA 410 CO 0.07 -0.03 -0.02 -0.92 0.00 0.00 0.00 179.25 178.35 3kqz h TYR 411 N 0.76 -0.06 -0.36 0.00 3.20 -0.47 -0.21 116.97 119.83 3kqz h TYR 411 Ca 0.50 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.35 3kqz h TYR 411 Cb 0.75 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 3kqz h TYR 411 CO -0.00 0.18 0.16 0.00 -1.64 0.00 0.00 178.16 176.86 3kqz h VAL 413 N 0.44 0.79 -0.06 0.00 2.07 -0.61 0.11 116.25 118.99 3kqz h VAL 413 Ca 0.12 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3kqz h VAL 413 Cb 0.15 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3kqz h VAL 413 CO -0.01 0.06 0.17 1.23 0.02 0.00 0.00 177.57 179.04 3kqz h GLY 414 N -0.49 0.00 0.57 2.17 0.00 -1.00 0.20 103.07 104.52 3kqz h GLY 414 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.93 3kqz h GLY 414 CO 0.06 0.00 -2.03 2.41 0.00 0.00 0.00 176.54 176.98 3kqz n THR 415 N -3.28 1.75 0.29 4.70 -1.04 -0.30 -4.32 114.28 112.09 3kqz n THR 415 Ca -0.01 -0.66 0.12 0.00 -2.04 0.00 0.00 64.05 61.46 3kqz n THR 415 Cb 0.25 -1.68 0.11 0.00 -1.82 0.00 0.00 70.33 67.19 3kqz n THR 415 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kqz h LEU 416 N 0.06 0.00 -3.07 -4.42 3.38 -0.39 -3.49 115.31 107.39 3kqz h LEU 416 Ca -0.43 -0.06 -0.32 0.00 0.09 0.00 0.00 57.88 57.15 3kqz h LEU 416 Cb 2.03 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.83 3kqz h LEU 416 CO 0.07 0.03 -0.73 0.29 0.09 0.00 0.00 178.44 178.19 3kqz n LYS 417 N -2.58 -1.37 -1.47 1.13 5.02 0.68 -4.97 118.16 114.59 3kqz n LYS 417 Ca 0.02 0.80 -0.33 0.00 -2.02 0.00 0.00 58.31 56.78 3kqz n LYS 417 Cb 0.51 -4.26 0.08 0.00 -0.02 0.00 0.00 35.03 31.34 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 -4.92 2.28 0.10 1.97 0.04 -1.26 -5.02 135.00 128.18 3kqz s PRO 418 Ca 0.26 1.56 0.03 0.00 0.04 0.00 0.00 61.00 62.89 3kqz s PRO 418 Cb -0.09 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3kqz s PRO 418 CO 0.83 -1.69 0.12 -1.21 0.04 0.00 0.00 177.00 175.09 3kqz s GLU 419 N -4.12 2.99 -0.86 4.56 2.02 -1.26 -4.59 118.70 117.44 3kqz s GLU 419 Ca 0.70 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 55.00 3kqz s GLU 419 Cb -0.25 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.22 3kqz s GLU 419 CO 0.46 0.55 0.00 0.09 0.02 0.00 0.00 175.26 176.38 3kqz n ASN 420 N 0.23 -3.54 -3.86 -0.19 5.03 -1.26 -4.97 115.26 106.69 3kqz n ASN 420 Ca -0.08 0.09 -0.11 0.00 0.87 0.00 0.00 54.58 55.34 3kqz n ASN 420 Cb 0.52 -2.42 -0.11 0.00 -1.02 0.00 0.00 39.78 36.75 3kqz n ASN 420 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kqz s VAL 421 N -2.41 0.05 -0.15 2.41 0.11 -1.26 -0.90 120.40 118.25 3kqz s VAL 421 Ca 0.00 -0.43 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 3kqz s VAL 421 Cb 0.00 -0.31 0.02 0.00 -1.53 0.00 0.00 36.38 34.55 3kqz s VAL 421 CO 0.00 -0.24 -0.20 -0.70 -3.33 0.00 0.00 175.10 170.64 3kqz s GLU 422 N -0.79 2.85 -0.10 1.54 2.12 -0.06 -1.80 118.70 122.48 3kqz s GLU 422 Ca -0.09 -0.79 0.03 0.00 0.36 0.00 0.00 54.97 54.49 3kqz s GLU 422 Cb -0.05 -2.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.93 3kqz s GLU 422 CO 0.01 -0.12 -0.21 0.42 -0.54 0.00 0.00 175.26 174.82 3kqz s ILE 423 N 1.08 2.39 -0.17 -3.70 -1.09 0.29 0.13 121.20 120.13 3kqz s ILE 423 Ca -0.01 -0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 57.47 3kqz s ILE 423 Cb -0.14 -1.94 -0.02 0.00 -1.58 0.00 0.00 42.46 38.78 3kqz s ILE 423 CO -0.07 0.55 -0.06 -1.00 -1.23 0.00 0.00 174.94 173.13 3kqz s HIS 424 N 0.22 2.95 -0.31 3.97 3.76 0.12 -0.26 115.29 125.73 3kqz s HIS 424 Ca -0.13 -0.59 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 3kqz s HIS 424 Cb -0.16 -1.98 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 3kqz s HIS 424 CO 0.07 -0.25 0.18 -0.06 -0.85 0.00 0.00 174.74 173.82 3kqz s PHE 425 N 0.75 3.19 0.43 1.40 0.08 0.13 -0.06 117.98 123.91 3kqz s PHE 425 Ca -0.03 -0.30 0.06 0.00 0.12 0.00 0.00 56.93 56.78 3kqz s PHE 425 Cb -0.15 -2.38 -0.07 0.00 -0.57 0.00 0.00 43.02 39.85 3kqz s PHE 425 CO 0.02 -0.35 0.02 -0.51 -0.10 0.00 0.00 175.22 174.30 3kqz s LEU 426 N 1.68 2.80 0.00 -0.37 1.43 0.27 -1.25 118.68 123.23 3kqz s LEU 426 Ca 0.06 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 3kqz s LEU 426 Cb -0.17 -0.90 0.00 0.00 0.03 0.00 0.00 46.19 45.15 3kqz s LEU 426 CO 0.08 -0.52 0.00 -0.24 0.23 0.00 0.00 176.35 175.90 3kqz n SER 427 N -1.04 0.00 -4.56 2.29 2.88 -1.06 -2.28 113.62 109.86 3kqz n SER 427 Ca -0.07 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.29 3kqz n SER 427 Cb 0.67 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.06 3kqz n SER 427 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kqz n ALA 428 N 0.00 0.45 -2.22 -1.46 0.00 -1.26 -3.12 120.51 112.90 3kqz n ALA 428 Ca 0.00 -1.28 -0.40 0.00 0.00 0.00 0.00 53.44 51.76 3kqz n ALA 428 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 19.45 16.15 3kqz n ALA 428 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kqz s VAL 429 N 14.01 4.54 0.18 0.00 1.01 -0.81 -4.03 120.40 135.30 3kqz s VAL 429 Ca 0.95 1.79 -0.23 0.00 0.00 0.00 0.00 61.98 64.49 3kqz s VAL 429 Cb -0.16 -4.19 0.08 0.00 0.00 0.00 0.00 36.38 32.11 3kqz s VAL 429 CO 0.13 0.40 1.04 0.00 0.00 0.00 0.00 175.10 176.67 3kqz s GLU 431 N -2.28 1.43 -0.56 0.00 2.12 -1.26 -1.27 118.70 116.88 3kqz s GLU 431 Ca 0.21 -0.46 -0.14 0.00 0.36 0.00 0.00 54.97 54.94 3kqz s GLU 431 Cb -0.02 -1.26 0.14 0.00 0.26 0.00 0.00 34.13 33.24 3kqz s GLU 431 CO 0.05 0.16 0.49 1.21 -0.54 0.00 0.00 175.26 176.63 3kqz s ASN 432 N 0.19 6.12 0.42 -1.70 2.47 -0.56 -4.46 114.94 117.41 3kqz s ASN 432 Ca -0.05 -1.96 0.07 0.00 0.42 0.00 0.00 52.86 51.34 3kqz s ASN 432 Cb -0.11 -2.15 -0.07 0.00 -1.45 0.00 0.00 41.25 37.47 3kqz s ASN 432 CO 0.02 -0.77 0.08 -0.04 -3.72 0.00 0.00 177.10 172.66 3kqz s MET 433 N 1.32 2.07 -0.22 0.43 -1.94 -1.26 -1.68 119.30 118.02 3kqz s MET 433 Ca 0.06 -2.02 -0.06 0.00 -1.71 0.00 0.00 55.69 51.95 3kqz s MET 433 Cb -0.26 -1.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.78 3kqz s MET 433 CO 0.00 -0.10 0.03 0.08 -0.01 0.00 0.00 175.02 175.03 3kqz s VAL 434 N -2.68 4.15 0.20 -6.03 1.01 -1.26 -4.48 120.40 111.31 3kqz s VAL 434 Ca 0.36 -0.24 -0.19 0.00 0.00 0.00 0.00 61.98 61.91 3kqz s VAL 434 Cb 0.07 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.59 3kqz s VAL 434 CO 0.19 0.40 0.56 -0.55 0.00 0.00 0.00 175.10 175.70 3kqz s SER 435 N 1.19 -0.30 0.57 3.32 0.15 -1.26 -4.97 113.70 112.38 3kqz s SER 435 Ca 0.04 -0.43 0.26 0.00 0.70 0.00 0.00 55.95 56.52 3kqz s SER 435 Cb -0.14 0.60 1.54 0.00 -1.71 0.00 0.00 66.02 66.30 3kqz s SER 435 CO 0.02 -1.08 2.08 0.07 1.20 0.00 0.00 173.24 175.53 3kqz h LYS 436 N 2.14 0.00 -0.01 5.44 2.10 -1.98 -2.81 116.57 121.46 3kqz h LYS 436 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3kqz h LYS 436 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3kqz h LYS 436 CO 0.35 0.00 -0.30 0.09 -2.00 0.00 0.00 179.45 177.59 3kqz n ASN 437 N -4.04 1.07 -4.72 7.07 3.02 -1.26 -4.96 115.26 111.43 3kqz n ASN 437 Ca 0.03 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.36 3kqz n ASN 437 Cb 0.37 0.19 0.10 0.00 -0.61 0.00 0.00 39.78 39.83 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 -2.54 4.06 0.63 6.41 0.01 -1.06 -3.86 113.70 117.34 3kqz s SER 438 Ca 0.23 2.19 -0.14 0.00 1.31 0.00 0.00 55.95 59.54 3kqz s SER 438 Cb 0.19 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 3kqz s SER 438 CO 0.54 -2.34 1.05 -0.72 0.41 0.00 0.00 173.24 172.18 3kqz s TYR 439 N -2.32 3.11 0.12 2.43 -0.00 -1.26 -4.86 117.35 114.56 3kqz s TYR 439 Ca 0.70 1.46 0.07 0.00 -0.00 0.00 0.00 57.07 59.30 3kqz s TYR 439 Cb -0.25 -2.93 -0.04 0.00 -0.00 0.00 0.00 41.96 38.75 3kqz s TYR 439 CO 0.49 -1.07 -0.08 1.03 -0.00 0.00 0.00 175.55 175.92 3kqz s ARG 440 N -4.49 2.18 0.19 -3.49 0.52 -1.26 -4.61 118.95 107.99 3kqz s ARG 440 Ca 0.61 -1.05 -0.33 0.00 -0.52 0.00 0.00 55.73 54.44 3kqz s ARG 440 Cb -0.14 -2.31 -0.14 0.00 0.52 0.00 0.00 34.95 32.87 3kqz s ARG 440 CO 0.44 0.50 1.41 -2.30 0.02 0.00 0.00 175.30 175.36 3kqz n PRO 441 N 0.52 1.82 0.00 3.54 -0.02 -1.26 -1.40 135.00 138.19 3kqz n PRO 441 Ca -0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3kqz n PRO 441 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 2.52 2.97 3.57 -1.23 0.00 0.33 -5.01 105.19 108.33 3kqz n GLY 442 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.73 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 0.14 0.95 -4.52 1.61 9.92 -0.50 -4.45 116.55 119.71 3kqz n ASP 443 Ca 0.00 1.12 -0.34 0.00 -0.53 0.00 0.00 54.79 55.04 3kqz n ASP 443 Cb 0.00 -1.27 -0.12 0.00 -0.64 0.00 0.00 41.12 39.09 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 -1.15 3.89 0.06 0.53 1.01 -1.26 -1.53 121.20 122.76 3kqz s ILE 444 Ca 0.60 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.92 3kqz s ILE 444 Cb -0.67 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3kqz s ILE 444 CO 0.59 0.52 -0.10 0.27 0.00 0.00 0.00 174.94 176.22 3kqz s ILE 445 N 0.12 0.78 -0.17 2.92 -4.36 0.32 -4.92 121.20 115.88 3kqz s ILE 445 Ca -0.01 -1.31 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 3kqz s ILE 445 Cb -0.14 -0.96 -0.01 0.00 1.25 0.00 0.00 42.46 42.60 3kqz s ILE 445 CO 0.03 -0.41 -0.08 -0.89 0.24 0.00 0.00 174.94 173.82 3kqz s THR 446 N -1.73 3.31 0.74 8.37 2.01 -1.26 0.10 115.64 127.18 3kqz s THR 446 Ca -0.03 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.31 3kqz s THR 446 Cb -0.07 -2.45 0.03 0.00 0.01 0.00 0.00 72.50 70.02 3kqz s THR 446 CO 0.00 0.48 1.12 0.00 -0.69 0.00 0.00 174.62 175.53 3kqz s ALA 447 N 0.84 2.80 0.32 7.40 0.00 0.53 -2.09 121.76 131.57 3kqz s ALA 447 Ca -0.02 -0.41 0.34 0.00 0.00 0.00 0.00 51.96 51.86 3kqz s ALA 447 Cb -0.15 -3.01 1.86 0.00 0.00 0.00 0.00 23.12 21.82 3kqz s ALA 447 CO 0.01 -1.30 2.04 0.66 0.00 0.00 0.00 175.76 177.17 3kqz h SER 448 N -0.78 0.00 -0.36 0.00 4.64 -1.53 0.13 113.55 115.65 3kqz h SER 448 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3kqz h SER 448 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kqz h SER 448 CO 0.64 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.14 3kqz n ASN 449 N -2.73 2.43 0.00 4.97 6.94 -1.26 -4.92 115.26 120.70 3kqz n ASN 449 Ca -0.02 -2.13 0.00 0.00 -0.02 0.00 0.00 54.58 52.41 3kqz n ASN 449 Cb 0.09 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 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 0.90 2.68 3.71 4.83 0.00 0.44 -5.00 105.19 112.75 3kqz n GLY 450 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.16 4.15 0.05 1.61 1.02 -1.26 -4.69 119.74 120.45 3kqz s LYS 451 Ca 0.00 2.54 -0.16 0.00 0.02 0.00 0.00 55.97 58.37 3kqz s LYS 451 Cb 0.00 -3.22 -0.06 0.00 -0.52 0.00 0.00 37.83 34.03 3kqz s LYS 451 CO 0.00 -0.74 0.47 0.95 -0.92 0.00 0.00 175.35 175.11 3kqz s THR 452 N 1.55 4.92 -0.09 2.17 -4.23 -1.26 -0.35 115.64 118.35 3kqz s THR 452 Ca 0.75 0.92 0.03 0.00 -1.18 0.00 0.00 61.69 62.21 3kqz s THR 452 Cb -0.47 -3.77 0.01 0.00 1.34 0.00 0.00 72.50 69.61 3kqz s THR 452 CO 0.33 0.51 -0.18 -0.63 -0.54 0.00 0.00 174.62 174.10 3kqz s ILE 453 N -1.16 1.65 -0.30 2.99 1.01 0.29 -1.62 121.20 124.06 3kqz s ILE 453 Ca 0.28 -0.77 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 3kqz s ILE 453 Cb -0.17 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3kqz s ILE 453 CO 0.16 0.47 0.66 -0.70 0.00 0.00 0.00 174.94 175.53 3kqz s GLU 454 N 0.62 3.95 -0.31 2.79 2.12 -0.04 -0.52 118.70 127.31 3kqz s GLU 454 Ca -0.14 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 3kqz s GLU 454 Cb -0.16 -3.72 0.01 0.00 0.26 0.00 0.00 34.13 30.52 3kqz s GLU 454 CO 0.04 -0.57 1.23 0.08 -0.54 0.00 0.00 175.26 175.50 3kqz s VAL 455 N 2.66 4.26 -0.16 3.70 1.01 -0.58 -1.12 120.40 130.16 3kqz s VAL 455 Ca 0.27 1.43 0.18 0.00 0.00 0.00 0.00 61.98 63.86 3kqz s VAL 455 Cb -0.15 -4.24 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 3kqz s VAL 455 CO 0.11 -0.48 0.96 1.23 0.00 0.00 0.00 175.10 176.92 3kqz h GLY 456 N 10.59 0.00 -5.32 4.51 0.00 -1.91 0.94 103.07 111.89 3kqz h GLY 456 Ca -0.24 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.21 3kqz h GLY 456 CO 1.03 0.00 -0.01 0.21 0.00 0.00 0.00 176.54 177.77 3kqz s ASN 457 N -5.74 -0.94 0.53 0.19 3.84 -1.26 -4.71 114.94 106.84 3kqz s ASN 457 Ca -0.01 1.18 0.34 0.00 0.21 0.00 0.00 52.86 54.58 3kqz s ASN 457 Cb 0.09 2.03 1.57 0.00 -0.55 0.00 0.00 41.25 44.39 3kqz s ASN 457 CO 0.80 -0.18 2.02 0.71 -2.79 0.00 0.00 177.10 177.66 3kqz h THR 458 N 5.80 0.00 -0.00 -5.21 1.35 -1.89 -0.40 112.91 112.56 3kqz h THR 458 Ca -0.17 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3kqz h THR 458 Cb 1.11 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 3kqz h THR 458 CO 0.10 0.00 -0.01 -0.67 -0.25 0.00 0.00 175.52 174.69 3kqz n ASP 459 N -2.92 0.05 -2.78 5.36 2.03 -0.80 -3.17 116.55 114.33 3kqz n ASP 459 Ca -0.00 -0.24 -0.36 0.00 0.52 0.00 0.00 54.79 54.71 3kqz n ASP 459 Cb 0.22 -0.24 0.01 0.00 -0.72 0.00 0.00 41.12 40.39 3kqz n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kqz n ALA 460 N -1.23 6.50 0.09 -1.67 0.00 -0.16 -4.60 120.51 119.44 3kqz n ALA 460 Ca 0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 53.44 49.79 3kqz n ALA 460 Cb 0.24 -2.04 -0.05 0.00 0.00 0.00 0.00 19.45 17.60 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 2.98 0.00 -0.66 0.00 9.09 -1.77 -3.33 114.58 120.89 3kqz h GLU 461 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 3kqz h GLU 461 Cb 0.24 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.31 3kqz h GLU 461 CO 1.27 0.67 0.41 0.78 0.05 0.00 0.00 179.01 182.19 3kqz h GLY 462 N 3.33 0.94 2.00 1.06 0.00 -1.90 -1.77 103.07 106.73 3kqz h GLY 462 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3kqz h GLY 462 CO 0.09 0.36 -0.19 0.07 0.00 0.00 0.00 176.54 176.87 3kqz h ARG 463 N 0.90 0.00 0.19 4.80 0.11 -1.94 -0.55 114.38 117.88 3kqz h ARG 463 Ca 0.24 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 60.03 3kqz h ARG 463 Cb -0.06 0.00 0.03 0.00 1.11 0.00 0.00 29.97 31.05 3kqz h ARG 463 CO -0.05 0.19 -1.23 -0.07 0.10 0.00 0.00 179.97 178.91 3kqz h LEU 464 N 0.00 0.75 -0.54 0.08 3.38 -1.51 -0.16 115.31 117.31 3kqz h LEU 464 Ca -0.00 -0.90 -0.16 0.00 0.09 0.00 0.00 57.88 56.91 3kqz h LEU 464 Cb 0.63 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kqz h LEU 464 CO 0.02 1.59 -0.53 0.71 0.09 0.00 0.00 178.44 180.33 3kqz h THR 465 N 0.03 1.32 -0.08 0.22 1.35 -1.23 -2.83 112.91 111.70 3kqz h THR 465 Ca -0.21 -1.78 -0.09 0.00 -0.55 0.00 0.00 66.41 63.78 3kqz h THR 465 Cb 1.95 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 70.11 3kqz h THR 465 CO 0.23 0.55 -0.38 -0.07 -0.25 0.00 0.00 175.52 175.60 3kqz h LEU 466 N 0.42 0.16 -0.07 3.87 3.38 -1.12 -2.39 115.31 119.56 3kqz h LEU 466 Ca 0.01 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3kqz h LEU 466 Cb 1.07 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 3kqz h LEU 466 CO 0.10 0.53 -0.21 0.00 0.09 0.00 0.00 178.44 178.95 3kqz h ALA 467 N 1.48 -0.21 -0.08 1.53 0.00 -0.76 0.12 119.26 121.34 3kqz h ALA 467 Ca 0.01 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3kqz h ALA 467 Cb 0.74 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3kqz h ALA 467 CO 0.06 -0.69 -0.58 -0.44 0.00 0.00 0.00 179.25 177.60 3kqz h ASP 468 N -0.30 0.27 -0.93 0.00 3.32 -1.53 -1.64 116.42 115.62 3kqz h ASP 468 Ca 0.08 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3kqz h ASP 468 Cb 0.42 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 3kqz h ASP 468 CO -0.25 0.80 0.60 0.00 -1.72 0.00 0.00 179.24 178.67 3kqz h ALA 469 N 1.21 1.18 -0.40 3.45 0.00 -1.10 -1.27 119.26 122.33 3kqz h ALA 469 Ca -0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 3kqz h ALA 469 Cb 1.08 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3kqz h ALA 469 CO 0.09 0.60 -0.27 -0.07 0.00 0.00 0.00 179.25 179.60 3kqz h LEU 470 N 1.27 0.92 -0.83 0.00 3.38 -0.22 0.32 115.31 120.15 3kqz h LEU 470 Ca 0.34 -0.43 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kqz h LEU 470 Cb -0.12 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.33 3kqz h LEU 470 CO -0.07 1.16 0.54 0.58 0.09 0.00 0.00 178.44 180.74 3kqz h VAL 471 N 0.70 1.17 0.06 1.22 2.07 -1.18 0.95 116.25 121.23 3kqz h VAL 471 Ca 0.08 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 3kqz h VAL 471 Cb 0.84 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3kqz h VAL 471 CO 0.07 0.20 -0.03 0.22 0.02 0.00 0.00 177.57 178.05 3kqz h TYR 472 N 1.08 -0.07 -0.47 1.57 3.20 -0.90 -1.50 116.97 119.88 3kqz h TYR 472 Ca 0.32 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.28 3kqz h TYR 472 Cb -0.06 0.02 -0.09 0.00 1.54 0.00 0.00 36.73 38.15 3kqz h TYR 472 CO -0.02 0.31 -0.09 0.00 -1.64 0.00 0.00 178.16 176.72 3kqz h ALA 473 N 0.45 0.35 -0.31 1.82 0.00 -0.21 -2.11 119.26 119.24 3kqz h ALA 473 Ca -0.01 0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3kqz h ALA 473 Cb 0.41 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3kqz h ALA 473 CO 0.01 -0.43 -0.16 1.49 0.00 0.00 0.00 179.25 180.16 3kqz h GLU 474 N 0.02 0.55 0.00 0.00 4.81 -0.65 -1.69 114.58 117.63 3kqz h GLU 474 Ca 0.23 -0.18 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3kqz h GLU 474 Cb 0.35 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3kqz h GLU 474 CO -0.47 0.70 -0.07 0.87 -0.73 0.00 0.00 179.01 179.30 3kqz h LYS 475 N 0.50 0.00 0.00 1.92 1.57 -0.75 0.11 116.57 119.92 3kqz h LYS 475 Ca 0.09 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3kqz h LYS 475 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 3kqz h LYS 475 CO 0.04 0.07 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.88 3kqz h LEU 476 N 0.00 0.00 -2.73 2.94 3.38 -0.66 -3.47 115.31 114.77 3kqz h LEU 476 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3kqz h LEU 476 Cb 0.26 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.09 3kqz h LEU 476 CO 0.01 0.04 -0.34 0.61 0.09 0.00 0.00 178.44 178.85 3kqz n GLY 477 N -1.08 -0.17 3.93 0.83 0.00 0.38 -5.05 105.19 104.02 3kqz n GLY 477 Ca -0.03 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3kqz n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kqz s VAL 478 N -3.16 3.61 0.11 1.61 -7.23 -1.26 -4.96 120.40 109.13 3kqz s VAL 478 Ca 0.18 -1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 59.18 3kqz s VAL 478 Cb -0.02 -3.24 -0.23 0.00 0.56 0.00 0.00 36.38 33.45 3kqz s VAL 478 CO 0.35 -0.13 1.24 0.44 -0.31 0.00 0.00 175.10 176.69 3kqz h ASP 479 N 1.01 0.30 -3.89 4.85 3.32 -1.44 -3.47 116.42 117.10 3kqz h ASP 479 Ca -0.44 -0.29 -0.26 0.00 0.02 0.00 0.00 57.03 56.06 3kqz h ASP 479 Cb 1.26 -0.09 -0.27 0.00 0.22 0.00 0.00 39.33 40.44 3kqz h ASP 479 CO 0.54 1.18 -0.73 -0.31 -1.72 0.00 0.00 179.24 178.21 3kqz s TYR 480 N -2.84 0.17 -0.14 4.55 2.02 -1.13 -3.71 117.35 116.27 3kqz s TYR 480 Ca -0.03 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 56.62 3kqz s TYR 480 Cb 0.09 -0.11 0.01 0.00 -0.40 0.00 0.00 41.96 41.54 3kqz s TYR 480 CO 0.85 -0.02 -0.21 0.42 -1.57 0.00 0.00 175.55 175.03 3kqz s ILE 481 N -0.17 2.00 -0.17 2.71 1.01 -0.51 0.12 121.20 126.19 3kqz s ILE 481 Ca -0.01 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.72 3kqz s ILE 481 Cb -0.02 -1.78 0.03 0.00 0.01 0.00 0.00 42.46 40.71 3kqz s ILE 481 CO -0.00 0.54 -0.15 -0.69 0.00 0.00 0.00 174.94 174.64 3kqz s VAL 482 N 0.92 1.73 0.18 2.92 1.01 0.74 -1.00 120.40 126.91 3kqz s VAL 482 Ca -0.05 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kqz s VAL 482 Cb -0.15 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3kqz s VAL 482 CO -0.04 0.41 0.21 1.51 0.00 0.00 0.00 175.10 177.19 3kqz s ASP 483 N 1.40 5.86 -0.05 3.32 1.47 0.66 -0.43 116.67 128.92 3kqz s ASP 483 Ca 0.03 -0.03 -0.01 0.00 1.18 0.00 0.00 52.55 53.73 3kqz s ASP 483 Cb -0.14 -1.63 0.03 0.00 -0.34 0.00 0.00 42.92 40.84 3kqz s ASP 483 CO -0.11 0.04 0.01 -0.51 0.68 0.00 0.00 175.17 175.28 3kqz s ILE 484 N -1.82 0.18 -0.06 2.11 2.07 0.89 -0.83 121.20 123.74 3kqz s ILE 484 Ca 0.33 0.18 -0.12 0.00 -1.41 0.00 0.00 60.65 59.62 3kqz s ILE 484 Cb -0.10 -0.33 0.02 0.00 0.13 0.00 0.00 42.46 42.18 3kqz s ILE 484 CO 0.26 0.19 0.29 0.00 -1.91 0.00 0.00 174.94 173.77 3kqz s ALA 485 N 1.60 -0.73 -1.33 1.50 0.00 -0.02 -1.74 121.76 121.03 3kqz s ALA 485 Ca -0.02 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.34 3kqz s ALA 485 Cb -0.13 -0.19 0.10 0.00 0.00 0.00 0.00 23.12 22.90 3kqz s ALA 485 CO -0.03 -0.20 1.87 0.25 0.00 0.00 0.00 175.76 177.65 3kqz n THR 486 N 2.06 3.94 -0.08 0.00 -2.24 -1.26 0.09 114.28 116.79 3kqz n THR 486 Ca -0.18 -3.95 -0.14 0.00 -2.27 0.00 0.00 64.05 57.51 3kqz n THR 486 Cb 0.57 -2.45 -0.09 0.00 -2.10 0.00 0.00 70.33 66.25 3kqz n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kqz h LEU 487 N 10.13 0.00 -7.79 3.22 5.85 -1.91 -3.44 115.31 121.37 3kqz h LEU 487 Ca 0.45 -0.56 -0.52 0.00 0.84 0.00 0.00 57.88 58.10 3kqz h LEU 487 Cb 0.74 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.41 3kqz h LEU 487 CO 1.59 1.10 -0.80 0.42 -0.34 0.00 0.00 178.44 180.41 3kqz s THR 488 N -2.20 1.03 0.46 1.05 -4.23 -1.26 -4.94 115.64 105.55 3kqz s THR 488 Ca -0.20 -0.33 0.24 0.00 -1.18 0.00 0.00 61.69 60.21 3kqz s THR 488 Cb 0.01 -1.01 0.43 0.00 1.34 0.00 0.00 72.50 73.27 3kqz s THR 488 CO 0.51 0.35 1.85 1.23 -0.54 0.00 0.00 174.62 178.03 3kqz h GLY 489 N 7.74 0.57 0.78 3.99 0.00 -1.94 -1.60 103.07 112.61 3kqz h GLY 489 Ca -0.31 -0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.04 3kqz h GLY 489 CO 0.43 -0.02 0.49 0.00 0.00 0.00 0.00 176.54 177.44 3kqz h ALA 490 N 1.58 2.14 -0.71 3.60 0.00 -1.95 0.68 119.26 124.60 3kqz h ALA 490 Ca 0.47 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.55 3kqz h ALA 490 Cb 1.45 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 3kqz h ALA 490 CO -0.12 -0.71 0.50 0.52 0.00 0.00 0.00 179.25 179.43 3kqz h MET 491 N 0.00 0.15 0.00 0.00 2.86 -1.68 0.58 114.93 116.84 3kqz h MET 491 Ca 0.21 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3kqz h MET 491 Cb 1.18 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.81 3kqz h MET 491 CO -0.00 0.10 -0.02 -0.07 1.06 0.00 0.00 176.91 177.97 3kqz h LEU 492 N 0.15 0.00 0.00 1.22 3.38 -1.07 -0.41 115.31 118.58 3kqz h LEU 492 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3kqz h LEU 492 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3kqz h LEU 492 CO -0.05 0.02 -1.38 -1.22 0.09 0.00 0.00 178.44 175.90 3kqz n TYR 493 N -3.13 0.30 -0.01 1.13 4.02 0.19 -3.82 117.16 115.84 3kqz n TYR 493 Ca 0.00 0.09 -0.01 0.00 -0.01 0.00 0.00 57.90 57.97 3kqz n TYR 493 Cb 0.31 -0.54 -0.00 0.00 -0.02 0.00 0.00 39.34 39.09 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 -2.19 0.14 -0.00 7.72 3.41 -0.34 -4.81 113.62 117.55 3kqz n SER 494 Ca -0.01 0.09 0.10 0.00 -0.26 0.00 0.00 58.87 58.79 3kqz n SER 494 Cb 0.50 -0.52 -0.12 0.00 -0.26 0.00 0.00 64.21 63.81 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 -2.60 0.85 0.00 1.04 4.77 -0.69 -5.08 117.00 115.29 3kqz n LEU 495 Ca -0.01 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3kqz n LEU 495 Cb 0.03 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3kqz n LEU 495 CO 0.01 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3kqz n GLY 496 N 1.46 -0.61 2.79 -0.72 0.00 -0.25 -4.27 105.19 103.59 3kqz n GLY 496 Ca 0.03 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 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 3.24 -0.09 2.61 -2.24 -1.26 -4.25 114.28 112.28 3kqz n THR 497 Ca 0.00 -5.35 0.00 0.00 -2.27 0.00 0.00 64.05 56.43 3kqz n THR 497 Cb 0.00 -2.18 0.00 0.00 -2.10 0.00 0.00 70.33 66.05 3kqz n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kqz n SER 498 N 1.44 0.00 -3.63 3.42 7.64 -1.26 -4.93 113.62 116.29 3kqz n SER 498 Ca 0.26 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.99 3kqz n SER 498 Cb 0.37 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.44 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqz s TYR 499 N 0.00 -0.37 0.50 1.43 1.51 -1.26 -4.55 117.35 114.61 3kqz s TYR 499 Ca 0.00 0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 56.76 3kqz s TYR 499 Cb 0.00 -0.12 -0.06 0.00 -0.11 0.00 0.00 41.96 41.68 3kqz s TYR 499 CO 0.00 -0.39 0.89 0.00 -1.11 0.00 0.00 175.55 174.94 3kqz s ALA 500 N 2.39 3.23 -0.13 3.71 0.00 -0.70 -4.60 121.76 125.67 3kqz s ALA 500 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 51.96 51.75 3kqz s ALA 500 Cb -0.13 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3kqz s ALA 500 CO -0.09 -0.31 0.15 0.20 0.00 0.00 0.00 175.76 175.71 3kqz s GLY 501 N -3.61 2.15 -0.12 0.00 0.00 -1.08 0.44 107.32 105.11 3kqz s GLY 501 Ca 0.53 -0.63 0.03 0.00 0.00 0.00 0.00 44.72 44.65 3kqz s GLY 501 CO 0.40 -0.27 -0.21 0.54 0.00 0.00 0.00 173.10 173.55 3kqz s VAL 502 N -0.79 1.94 0.28 1.40 0.11 -0.32 0.25 120.40 123.27 3kqz s VAL 502 Ca 0.14 -0.93 0.12 0.00 -2.93 0.00 0.00 61.98 58.38 3kqz s VAL 502 Cb -0.12 -1.71 -0.05 0.00 -1.53 0.00 0.00 36.38 32.97 3kqz s VAL 502 CO 0.03 0.53 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.77 3kqz s PHE 503 N 0.64 2.29 0.02 1.54 0.08 0.77 -0.90 117.98 122.41 3kqz s PHE 503 Ca -0.12 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.34 3kqz s PHE 503 Cb -0.16 -0.99 0.09 0.00 -0.57 0.00 0.00 43.02 41.38 3kqz s PHE 503 CO 0.03 0.72 1.19 0.41 -0.10 0.00 0.00 175.22 177.47 3kqz n GLY 504 N -0.62 0.30 0.52 4.36 0.00 -1.26 -0.23 105.19 108.26 3kqz n GLY 504 Ca -0.05 -1.06 0.05 0.00 0.00 0.00 0.00 46.02 44.96 3kqz n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kqz n ASN 505 N -1.09 2.47 -3.68 1.61 0.23 -0.75 -4.78 115.26 109.28 3kqz n ASN 505 Ca 0.03 -1.78 -0.10 0.00 -0.53 0.00 0.00 54.58 52.20 3kqz n ASN 505 Cb 0.56 -0.13 -0.11 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.94 -0.21 0.11 0.53 3.84 -1.26 -4.88 114.94 112.13 3kqz s ASN 506 Ca 0.18 0.84 -0.10 0.00 0.21 0.00 0.00 52.86 53.99 3kqz s ASN 506 Cb 0.10 0.96 -0.12 0.00 -0.55 0.00 0.00 41.25 41.63 3kqz s ASN 506 CO 0.14 -0.22 1.31 -0.08 -2.79 0.00 0.00 177.10 175.46 3kqz h GLU 507 N 7.79 0.68 0.06 0.43 4.81 -1.95 -1.94 114.58 124.45 3kqz h GLU 507 Ca -0.24 -0.59 0.01 0.00 -0.13 0.00 0.00 59.36 58.40 3kqz h GLU 507 Cb 1.14 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 3kqz h GLU 507 CO 0.20 1.20 -0.08 1.49 -0.73 0.00 0.00 179.01 181.10 3kqz h GLU 508 N 0.44 -0.16 -0.39 1.92 4.81 -1.99 0.18 114.58 119.40 3kqz h GLU 508 Ca -0.06 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3kqz h GLU 508 Cb 1.46 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.85 3kqz h GLU 508 CO 0.16 -0.10 0.24 1.25 -0.73 0.00 0.00 179.01 179.83 3kqz h LEU 509 N -0.16 0.47 -0.67 1.64 5.85 -1.95 -1.46 115.31 119.04 3kqz h LEU 509 Ca 0.01 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.80 3kqz h LEU 509 Cb 0.17 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 3kqz h LEU 509 CO -0.04 0.39 0.20 0.40 -0.34 0.00 0.00 178.44 179.05 3kqz h ILE 510 N 0.52 0.65 -0.31 4.05 2.04 -1.00 -1.02 117.51 122.44 3kqz h ILE 510 Ca 0.14 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 3kqz h ILE 510 Cb 0.01 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 3kqz h ILE 510 CO -0.03 0.06 -0.04 0.78 0.00 0.00 0.00 178.15 178.93 3kqz h ASN 511 N 0.34 0.46 0.14 1.72 2.35 0.05 0.65 115.58 121.28 3kqz h ASN 511 Ca 0.36 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.91 3kqz h ASN 511 Cb 0.53 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3kqz h ASN 511 CO -0.40 0.55 -0.38 0.11 -1.65 0.00 0.00 177.43 175.66 3kqz h LYS 512 N 0.46 0.33 -0.22 0.81 1.57 -0.69 0.74 116.57 119.59 3kqz h LYS 512 Ca 0.10 -0.15 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 3kqz h LYS 512 Cb 0.36 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3kqz h LYS 512 CO 0.01 0.66 -0.50 0.82 -0.57 0.00 0.00 179.45 179.88 3kqz h ILE 513 N 0.28 1.31 -0.67 1.86 1.08 -0.15 -1.36 117.51 119.85 3kqz h ILE 513 Ca 0.03 -1.72 -0.07 0.00 -0.39 0.00 0.00 64.86 62.71 3kqz h ILE 513 Cb 0.80 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 36.35 3kqz h ILE 513 CO 0.06 0.54 0.16 -0.07 -0.69 0.00 0.00 178.15 178.16 3kqz h LEU 514 N 0.44 1.01 0.19 1.44 3.38 -0.71 0.18 115.31 121.24 3kqz h LEU 514 Ca -0.00 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.77 3kqz h LEU 514 Cb 1.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 3kqz h LEU 514 CO 0.11 0.97 -0.23 -0.61 0.09 0.00 0.00 178.44 178.77 3kqz h GLN 515 N 1.02 -0.46 -0.87 1.13 5.75 -0.74 -0.80 115.11 120.13 3kqz h GLN 515 Ca 0.21 0.03 0.21 0.00 -0.15 0.00 0.00 58.65 58.96 3kqz h GLN 515 Cb 0.36 0.10 -0.06 0.00 1.07 0.00 0.00 27.48 28.96 3kqz h GLN 515 CO 0.00 -0.30 0.59 0.77 -2.65 0.00 0.00 178.83 177.24 3kqz h SER 516 N -0.47 0.29 0.13 -0.69 0.02 -1.05 -1.44 113.55 110.34 3kqz h SER 516 Ca 0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3kqz h SER 516 Cb 0.46 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3kqz h SER 516 CO -0.08 0.12 -0.06 -1.28 -1.14 0.00 0.00 176.83 174.38 3kqz h SER 517 N 0.29 -0.15 -0.38 3.07 0.87 0.08 0.27 113.55 117.60 3kqz h SER 517 Ca 0.45 -0.11 0.06 0.00 -1.23 0.00 0.00 61.79 60.96 3kqz h SER 517 Cb 1.28 0.04 -0.06 0.00 -0.44 0.00 0.00 62.40 63.22 3kqz h SER 517 CO -0.13 0.01 0.04 0.11 -0.53 0.00 0.00 176.83 176.34 3kqz h LYS 518 N -0.30 0.15 0.00 2.24 1.57 -0.18 0.22 116.57 120.28 3kqz h LYS 518 Ca -0.02 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.60 3kqz h LYS 518 Cb 0.24 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3kqz h LYS 518 CO 0.03 0.10 -0.93 1.79 -0.57 0.00 0.00 179.45 179.88 3kqz h THR 519 N 0.16 0.95 0.00 -0.16 1.35 -1.32 -2.61 112.91 111.27 3kqz h THR 519 Ca 0.19 -2.45 0.00 0.00 -0.55 0.00 0.00 66.41 63.60 3kqz h THR 519 Cb 0.24 2.41 0.00 0.00 -1.73 0.00 0.00 68.15 69.07 3kqz h THR 519 CO -0.27 0.54 -0.37 0.77 -0.25 0.00 0.00 175.52 175.94 3kqz h SER 520 N 0.00 0.00 -1.90 5.36 4.64 -0.85 -3.46 113.55 117.34 3kqz h SER 520 Ca -0.07 -0.07 -0.40 0.00 -0.47 0.00 0.00 61.79 60.79 3kqz h SER 520 Cb 1.56 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.55 3kqz h SER 520 CO 0.07 0.03 -0.42 0.59 -0.87 0.00 0.00 176.83 176.24 3kqz n ASN 521 N -2.49 -5.36 -4.34 4.97 3.02 0.78 -4.86 115.26 106.98 3kqz n ASN 521 Ca 0.04 0.30 -0.45 0.00 -0.03 0.00 0.00 54.58 54.43 3kqz n ASN 521 Cb 0.48 -4.64 -0.04 0.00 -0.61 0.00 0.00 39.78 34.96 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 -4.22 3.08 0.13 3.52 2.02 -1.15 -4.97 118.70 117.12 3kqz s GLU 522 Ca 0.00 -1.62 -0.31 0.00 0.02 0.00 0.00 54.97 53.06 3kqz s GLU 522 Cb 0.00 -4.31 -0.09 0.00 0.10 0.00 0.00 34.13 29.82 3kqz s GLU 522 CO 0.00 -1.43 1.53 -1.25 0.02 0.00 0.00 175.26 174.14 3kqz s PRO 523 N 1.96 4.24 0.03 0.39 0.04 -1.26 -4.59 135.00 135.80 3kqz s PRO 523 Ca 0.09 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.45 3kqz s PRO 523 Cb -0.25 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.01 3kqz s PRO 523 CO 0.03 -0.59 -0.14 0.08 0.04 0.00 0.00 177.00 176.42 3kqz s VAL 524 N 1.41 1.14 -0.03 -0.36 1.01 -1.26 -1.72 120.40 120.59 3kqz s VAL 524 Ca 0.69 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.80 3kqz s VAL 524 Cb -0.41 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3kqz s VAL 524 CO 0.31 0.09 -0.16 0.86 0.00 0.00 0.00 175.10 176.21 3kqz s TRP 525 N -0.72 1.51 -0.16 5.22 -0.11 0.17 -4.90 118.94 119.96 3kqz s TRP 525 Ca 0.03 -0.37 -0.29 0.00 1.22 0.00 0.00 56.10 56.68 3kqz s TRP 525 Cb -0.07 -1.01 -0.01 0.00 -1.50 0.00 0.00 33.47 30.88 3kqz s TRP 525 CO 0.01 -0.10 1.10 -0.46 -4.62 0.00 0.00 176.95 172.88 3kqz s TRP 526 N -0.10 3.27 0.13 5.86 -0.00 -1.26 -1.18 118.94 125.65 3kqz s TRP 526 Ca 0.00 1.37 0.11 0.00 -0.00 0.00 0.00 56.10 57.58 3kqz s TRP 526 Cb -0.09 -3.32 -0.04 0.00 -0.00 0.00 0.00 33.47 30.02 3kqz s TRP 526 CO 0.01 -0.78 -0.26 -0.51 -0.00 0.00 0.00 176.95 175.41 3kqz s LEU 527 N 2.79 2.32 0.29 5.86 1.43 -0.08 -4.91 118.68 126.38 3kqz s LEU 527 Ca 0.49 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 3kqz s LEU 527 Cb -0.19 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 3kqz s LEU 527 CO 0.13 0.16 0.72 -2.16 0.23 0.00 0.00 176.35 175.43 3kqz s PRO 528 N -2.06 4.06 -0.50 1.29 0.04 -1.26 -4.32 135.00 132.24 3kqz s PRO 528 Ca 0.13 0.70 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 3kqz s PRO 528 Cb -0.10 -2.58 0.06 0.00 0.04 0.00 0.00 34.50 31.92 3kqz s PRO 528 CO 0.06 0.24 0.59 0.42 0.04 0.00 0.00 177.00 178.34 3kqz s ILE 529 N -1.84 4.93 -0.52 0.56 1.01 -1.26 -4.82 121.20 119.25 3kqz s ILE 529 Ca 0.50 -0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.38 3kqz s ILE 529 Cb -0.12 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.13 3kqz s ILE 529 CO 0.19 -0.75 0.89 -0.63 0.00 0.00 0.00 174.94 174.64 3kqz s ILE 530 N 2.49 4.48 0.46 2.92 1.01 -1.26 -4.93 121.20 126.36 3kqz s ILE 530 Ca 0.14 0.28 0.19 0.00 0.00 0.00 0.00 60.65 61.26 3kqz s ILE 530 Cb -0.20 -4.48 0.23 0.00 0.01 0.00 0.00 42.46 38.03 3kqz s ILE 530 CO 0.12 -1.00 2.04 0.78 0.00 0.00 0.00 174.94 176.88 3kqz h ASN 531 N 9.21 0.00 -0.32 3.58 2.35 -1.99 -1.46 115.58 126.94 3kqz h ASN 531 Ca -0.26 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.58 3kqz h ASN 531 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.43 3kqz h ASN 531 CO 1.05 0.14 0.34 -0.08 -1.65 0.00 0.00 177.43 177.24 3kqz h GLU 532 N 0.00 0.00 -0.00 0.81 4.81 -2.05 -0.74 114.58 117.42 3kqz h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kqz h GLU 532 Cb 0.27 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3kqz h GLU 532 CO 0.02 0.00 -0.07 0.66 -0.73 0.00 0.00 179.01 178.89 3kqz n TYR 533 N -3.77 0.00 -0.19 0.92 4.01 -0.55 -4.08 117.16 113.50 3kqz n TYR 533 Ca 0.05 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.85 3kqz n TYR 533 Cb 0.50 -0.45 0.34 0.00 -0.31 0.00 0.00 39.34 39.42 3kqz n TYR 533 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3kqz h ARG 534 N 0.01 0.76 -0.01 -0.72 9.65 -1.29 -1.89 114.38 120.88 3kqz h ARG 534 Ca 0.00 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3kqz h ARG 534 Cb 0.49 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 3kqz h ARG 534 CO 0.00 0.50 -0.14 0.00 2.80 0.00 0.00 179.97 183.13 3kqz h ALA 535 N 1.60 1.74 0.00 2.80 0.00 -1.77 0.12 119.26 123.75 3kqz h ALA 535 Ca 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kqz h ALA 535 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kqz h ALA 535 CO -0.11 0.19 0.00 0.25 0.00 0.00 0.00 179.25 179.59 3kqz n THR 536 N -4.36 0.46 0.35 0.00 -2.24 -0.71 -1.10 114.28 106.67 3kqz n THR 536 Ca -0.02 0.12 0.09 0.00 -2.27 0.00 0.00 64.05 61.96 3kqz n THR 536 Cb 0.21 -0.76 0.24 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 -1.39 2.82 -4.60 3.22 4.77 0.03 -4.21 117.00 117.64 3kqz n LEU 537 Ca 0.07 -1.39 -0.43 0.00 -0.03 0.00 0.00 56.01 54.24 3kqz n LEU 537 Cb 0.21 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.94 3kqz n LEU 537 CO 0.18 0.70 1.18 0.20 -1.33 0.00 0.00 177.39 178.31 3kqz s ASN 538 N -1.05 6.39 0.01 -1.43 0.01 -0.26 -0.42 114.94 118.18 3kqz s ASN 538 Ca 0.36 0.61 -0.25 0.00 -0.71 0.00 0.00 52.86 52.86 3kqz s ASN 538 Cb 0.19 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 3kqz s ASN 538 CO 0.25 -1.43 0.79 -0.55 -1.51 0.00 0.00 177.10 174.64 3kqz s SER 539 N 3.57 7.19 0.50 -1.22 0.15 -1.26 -4.81 113.70 117.82 3kqz s SER 539 Ca 0.55 1.43 0.19 0.00 0.70 0.00 0.00 55.95 58.82 3kqz s SER 539 Cb -0.11 -2.47 1.25 0.00 -1.71 0.00 0.00 66.02 62.97 3kqz s SER 539 CO 0.31 -0.06 2.05 0.50 1.20 0.00 0.00 173.24 177.24 3kqz h LYS 540 N 6.09 0.11 0.00 5.44 1.63 -1.97 -3.37 116.57 124.51 3kqz h LYS 540 Ca -0.43 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.23 3kqz h LYS 540 Cb 1.21 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.79 3kqz h LYS 540 CO 0.73 0.08 -1.50 0.66 -3.45 0.00 0.00 179.45 175.96 3kqz n TYR 541 N -4.46 0.00 -2.48 1.91 4.01 -1.26 -5.06 117.16 109.82 3kqz n TYR 541 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 3kqz n TYR 541 Cb 0.35 -0.33 0.09 0.00 -0.31 0.00 0.00 39.34 39.13 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 -2.17 3.55 0.32 -0.72 0.00 -1.26 -4.98 121.76 116.50 3kqz s ALA 542 Ca -0.12 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.41 3kqz s ALA 542 Cb 0.04 -2.19 0.52 0.00 0.00 0.00 0.00 23.12 21.50 3kqz s ALA 542 CO 0.19 -1.31 1.88 -0.44 0.00 0.00 0.00 175.76 176.07 3kqz h ASP 543 N -0.46 0.65 -4.72 0.00 3.32 -1.73 -3.38 116.42 110.09 3kqz h ASP 543 Ca -0.40 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.46 3kqz h ASP 543 Cb 1.28 -0.17 -0.20 0.00 0.22 0.00 0.00 39.33 40.46 3kqz h ASP 543 CO 0.47 0.64 -0.09 -0.51 -1.72 0.00 0.00 179.24 178.03 3kqz s ILE 544 N -5.20 0.02 0.24 0.35 2.07 -0.64 -4.43 121.20 113.62 3kqz s ILE 544 Ca -0.09 -0.20 -0.27 0.00 -1.41 0.00 0.00 60.65 58.68 3kqz s ILE 544 Cb 0.16 -0.76 -0.09 0.00 0.13 0.00 0.00 42.46 41.90 3kqz s ILE 544 CO 0.78 -0.11 0.88 0.20 -1.91 0.00 0.00 174.94 174.78 3kqz s ASN 545 N -0.88 7.45 0.25 4.50 0.01 0.43 -0.86 114.94 125.83 3kqz s ASN 545 Ca -0.09 1.79 -0.02 0.00 -0.71 0.00 0.00 52.86 53.83 3kqz s ASN 545 Cb -0.03 -2.56 0.29 0.00 0.41 0.00 0.00 41.25 39.37 3kqz s ASN 545 CO 0.05 0.10 1.70 -0.61 -1.51 0.00 0.00 177.10 176.84 3kqz h GLN 546 N 3.88 0.72 -4.88 -0.60 4.15 -1.45 -3.46 115.11 113.46 3kqz h GLN 546 Ca -0.46 -0.24 -0.28 0.00 0.77 0.00 0.00 58.65 58.43 3kqz h GLN 546 Cb 1.20 -0.06 -0.15 0.00 0.21 0.00 0.00 27.48 28.68 3kqz h GLN 546 CO 0.66 0.83 -0.70 0.96 -1.93 0.00 0.00 178.83 178.65 3kqz s ILE 547 N -4.74 0.95 0.06 2.39 -4.36 -1.26 -4.91 121.20 109.33 3kqz s ILE 547 Ca -0.09 -2.00 -0.24 0.00 -0.26 0.00 0.00 60.65 58.05 3kqz s ILE 547 Cb 0.14 -1.79 -0.06 0.00 1.25 0.00 0.00 42.46 42.00 3kqz s ILE 547 CO 0.82 -0.79 0.75 -0.55 0.24 0.00 0.00 174.94 175.40 3kqz s SER 548 N -3.12 7.22 0.17 4.36 0.15 -1.26 -4.78 113.70 116.44 3kqz s SER 548 Ca 0.15 1.45 0.24 0.00 0.70 0.00 0.00 55.95 58.50 3kqz s SER 548 Cb 0.04 -2.46 0.43 0.00 -1.71 0.00 0.00 66.02 62.31 3kqz s SER 548 CO -0.02 0.06 1.42 0.77 1.20 0.00 0.00 173.24 176.68 3kqz h SER 549 N 5.41 0.00 0.00 5.45 4.64 -2.01 -3.40 113.55 123.64 3kqz h SER 549 Ca -0.45 -0.13 -0.29 0.00 -0.47 0.00 0.00 61.79 60.45 3kqz h SER 549 Cb 1.21 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 3kqz h SER 549 CO 0.70 0.07 -2.10 -1.54 -0.87 0.00 0.00 176.83 173.09 3kqz n SER 550 N -2.25 1.80 -4.59 4.97 3.41 -1.26 -4.99 113.62 110.71 3kqz n SER 550 Ca 0.04 -0.05 -0.41 0.00 -0.26 0.00 0.00 58.87 58.18 3kqz n SER 550 Cb 0.45 0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.63 3kqz n SER 550 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kqz s VAL 551 N -2.39 4.99 -0.88 -3.33 1.01 -1.26 -4.92 120.40 113.63 3kqz s VAL 551 Ca -0.17 0.65 0.27 0.00 0.00 0.00 0.00 61.98 62.73 3kqz s VAL 551 Cb 0.06 -3.95 0.26 0.00 0.00 0.00 0.00 36.38 32.74 3kqz s VAL 551 CO 0.55 -0.13 1.85 0.29 0.00 0.00 0.00 175.10 177.66 3kqz n LYS 552 N 5.77 0.11 -1.84 2.72 5.02 -1.26 -4.47 118.16 124.22 3kqz n LYS 552 Ca -0.03 0.10 -0.35 0.00 -2.02 0.00 0.00 58.31 56.01 3kqz n LYS 552 Cb 0.49 -1.63 -0.05 0.00 -0.02 0.00 0.00 35.03 33.82 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kqz n ALA 553 N -1.62 2.64 -0.09 7.82 0.00 -1.26 -4.75 120.51 123.24 3kqz n ALA 553 Ca 0.06 -3.25 -0.11 0.00 0.00 0.00 0.00 53.44 50.14 3kqz n ALA 553 Cb 0.37 -3.55 0.02 0.00 0.00 0.00 0.00 19.45 16.29 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 8.73 0.90 -0.29 0.00 0.02 -1.97 -1.45 113.55 119.48 3kqz h SER 554 Ca 0.32 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3kqz h SER 554 Cb 0.83 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 3kqz h SER 554 CO 1.51 1.17 0.16 0.28 -1.14 0.00 0.00 176.83 178.81 3kqz h SER 555 N 0.69 0.38 0.05 3.07 0.02 -1.92 0.43 113.55 116.27 3kqz h SER 555 Ca 0.06 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3kqz h SER 555 Cb 0.95 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.40 3kqz h SER 555 CO 0.09 0.32 -0.41 0.40 -1.14 0.00 0.00 176.83 176.09 3kqz h ILE 556 N 0.44 1.59 -0.87 3.27 2.04 -1.64 -2.59 117.51 119.75 3kqz h ILE 556 Ca 0.11 -2.28 0.02 0.00 1.00 0.00 0.00 64.86 63.72 3kqz h ILE 556 Cb 0.03 3.08 -0.05 0.00 -0.74 0.00 0.00 36.82 39.14 3kqz h ILE 556 CO -0.02 0.63 0.57 0.58 0.00 0.00 0.00 178.15 179.91 3kqz h VAL 557 N -0.56 1.18 -0.74 1.67 2.07 -1.07 0.03 116.25 118.85 3kqz h VAL 557 Ca -0.07 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.10 3kqz h VAL 557 Cb 1.26 -0.05 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 3kqz h VAL 557 CO 0.08 0.21 0.46 0.00 0.02 0.00 0.00 177.57 178.34 3kqz h ALA 558 N 1.34 0.97 -0.45 1.67 0.00 -0.17 -0.51 119.26 122.12 3kqz h ALA 558 Ca 0.33 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3kqz h ALA 558 Cb -0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 3kqz h ALA 558 CO -0.09 0.25 0.23 0.77 0.00 0.00 0.00 179.25 180.40 3kqz h SER 559 N 0.90 0.33 -0.69 0.00 0.02 -0.88 0.37 113.55 113.61 3kqz h SER 559 Ca 0.30 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.24 3kqz h SER 559 Cb 0.03 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 3kqz h SER 559 CO -0.12 0.24 0.33 0.25 -1.14 0.00 0.00 176.83 176.39 3kqz h LEU 560 N 0.46 0.93 0.24 5.07 5.85 -0.66 0.34 115.31 127.53 3kqz h LEU 560 Ca 0.19 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3kqz h LEU 560 Cb 0.09 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3kqz h LEU 560 CO -0.13 0.80 -0.11 0.15 -0.34 0.00 0.00 178.44 178.80 3kqz h PHE 561 N 1.01 -0.29 -0.74 1.25 3.04 -0.26 -2.93 116.94 118.03 3kqz h PHE 561 Ca 0.25 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.35 3kqz h PHE 561 Cb 0.13 0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.69 3kqz h PHE 561 CO 0.01 -0.01 0.50 -0.07 -2.02 0.00 0.00 178.31 176.72 3kqz h LEU 562 N -0.57 0.28 -1.48 0.59 3.38 -0.64 -0.92 115.31 115.95 3kqz h LEU 562 Ca -0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kqz h LEU 562 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kqz h LEU 562 CO 0.05 0.14 -0.27 0.50 0.09 0.00 0.00 178.44 178.96 3kqz h LYS 563 N 0.30 0.00 0.00 1.13 3.64 -0.74 -2.15 116.57 118.75 3kqz h LYS 563 Ca 0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 3kqz h LYS 563 Cb 0.99 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3kqz h LYS 563 CO -0.09 0.27 0.00 0.39 -2.27 0.00 0.00 179.45 177.74 3kqz n GLU 564 N -4.02 0.02 -0.17 1.90 -0.58 -0.35 -2.24 120.64 115.20 3kqz n GLU 564 Ca -0.02 0.35 0.05 0.00 -0.42 0.00 0.00 57.16 57.12 3kqz n GLU 564 Cb 0.33 -1.50 0.13 0.00 -0.57 0.00 0.00 31.44 29.83 3kqz n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kqz n PHE 565 N -1.43 0.40 -3.94 -0.32 3.01 -0.81 -4.81 117.46 109.56 3kqz n PHE 565 Ca 0.02 -0.59 -0.30 0.00 1.01 0.00 0.00 57.45 57.59 3kqz n PHE 565 Cb 0.06 -0.08 -0.15 0.00 -0.01 0.00 0.00 39.48 39.29 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 -1.39 1.57 -0.09 -4.37 1.01 -0.95 -3.81 120.40 112.37 3kqz s VAL 566 Ca 0.21 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.59 3kqz s VAL 566 Cb 0.13 -1.88 -0.22 0.00 0.00 0.00 0.00 36.38 34.42 3kqz s VAL 566 CO 0.10 -0.18 0.95 1.56 0.00 0.00 0.00 175.10 177.53 3kqz h GLN 567 N 7.93 -0.02 0.00 2.72 7.50 -1.87 -3.44 115.11 127.93 3kqz h GLN 567 Ca -0.16 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.99 3kqz h GLN 567 Cb 1.06 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.60 3kqz h GLN 567 CO 0.43 0.70 -0.06 0.09 -1.50 0.00 0.00 178.83 178.49 3kqz n ASN 568 N -4.74 0.11 -4.33 1.46 3.02 -1.26 -5.08 115.26 104.45 3kqz n ASN 568 Ca -0.09 -1.18 -0.31 0.00 -0.03 0.00 0.00 54.58 52.97 3kqz n ASN 568 Cb 0.36 -0.03 -0.16 0.00 -0.61 0.00 0.00 39.78 39.35 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3kqz s THR 569 N -0.07 2.12 -0.11 3.41 2.01 -1.26 -5.07 115.64 116.68 3kqz s THR 569 Ca 0.00 -1.15 -0.36 0.00 0.31 0.00 0.00 61.69 60.49 3kqz s THR 569 Cb 0.00 -1.76 -0.13 0.00 0.01 0.00 0.00 72.50 70.62 3kqz s THR 569 CO 0.00 0.53 1.79 0.00 -0.69 0.00 0.00 174.62 176.25 3kqz n ALA 570 N 2.28 0.55 -2.74 7.40 0.00 -1.24 -4.90 120.51 121.85 3kqz n ALA 570 Ca -0.16 0.34 -0.16 0.00 0.00 0.00 0.00 53.44 53.45 3kqz n ALA 570 Cb 0.51 -2.39 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 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 3.43 0.55 0.09 0.00 -0.00 -1.26 -1.43 118.94 120.32 3kqz s TRP 571 Ca 0.92 -0.11 0.04 0.00 -0.00 0.00 0.00 56.10 56.95 3kqz s TRP 571 Cb -0.81 -0.35 -0.03 0.00 -0.00 0.00 0.00 33.47 32.28 3kqz s TRP 571 CO 0.54 -0.01 -0.11 0.00 -0.00 0.00 0.00 176.95 177.37 3kqz s ALA 572 N -0.18 1.12 -0.05 5.86 0.00 -0.17 -1.81 121.76 126.53 3kqz s ALA 572 Ca 0.02 -1.16 -0.00 0.00 0.00 0.00 0.00 51.96 50.82 3kqz s ALA 572 Cb -0.03 0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3kqz s ALA 572 CO -0.00 -0.01 -0.02 -1.58 0.00 0.00 0.00 175.76 174.15 3kqz s HIS 573 N -2.26 0.65 -0.30 0.00 2.46 0.68 -0.24 115.29 116.28 3kqz s HIS 573 Ca 0.04 -0.16 -0.02 0.00 0.47 0.00 0.00 55.06 55.39 3kqz s HIS 573 Cb -0.04 -0.69 0.04 0.00 -0.13 0.00 0.00 32.58 31.77 3kqz s HIS 573 CO 0.00 -0.24 0.00 0.42 -2.47 0.00 0.00 174.74 172.45 3kqz s ILE 574 N 1.40 3.06 -0.39 0.89 1.01 -0.01 -0.17 121.20 126.99 3kqz s ILE 574 Ca -0.04 -1.30 -0.19 0.00 0.00 0.00 0.00 60.65 59.12 3kqz s ILE 574 Cb -0.13 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.62 3kqz s ILE 574 CO -0.03 -0.07 0.57 -0.62 0.00 0.00 0.00 174.94 174.79 3kqz s ASP 575 N 1.28 6.32 -0.08 3.58 -1.08 0.14 -0.84 116.67 125.99 3kqz s ASP 575 Ca -0.04 -0.20 0.13 0.00 -0.52 0.00 0.00 52.55 51.92 3kqz s ASP 575 Cb -0.19 -2.29 0.40 0.00 -1.46 0.00 0.00 42.92 39.38 3kqz s ASP 575 CO -0.01 -0.61 1.33 2.30 0.52 0.00 0.00 175.17 178.69 3kqz n ILE 576 N 5.60 1.56 -0.34 4.11 -5.35 0.11 -2.63 119.36 122.42 3kqz n ILE 576 Ca -0.03 -1.38 0.16 0.00 -0.27 0.00 0.00 62.75 61.23 3kqz n ILE 576 Cb 0.48 0.18 0.37 0.00 -1.74 0.00 0.00 39.64 38.93 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 1.93 1.79 0.00 -1.28 0.00 -1.82 -0.65 119.26 119.23 3kqz h ALA 577 Ca 0.00 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 3kqz h ALA 577 Cb 1.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 3kqz h ALA 577 CO 0.10 -0.21 -0.80 0.78 0.00 0.00 0.00 179.25 179.12 3kqz h GLY 578 N 0.64 0.00 0.00 0.00 0.00 -1.82 -3.37 103.07 98.52 3kqz h GLY 578 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.94 3kqz h GLY 578 CO -0.41 0.00 -1.27 3.33 0.00 0.00 0.00 176.54 178.19 3kqz n VAL 579 N -3.47 0.00 -0.33 4.60 0.24 -0.76 -4.16 118.33 114.45 3kqz n VAL 579 Ca -0.00 -0.25 0.04 0.00 -2.04 0.00 0.00 64.34 62.09 3kqz n VAL 579 Cb 0.80 0.43 0.19 0.00 -1.47 0.00 0.00 33.84 33.78 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 0.00 0.85 -3.34 -1.34 0.87 -1.32 -3.42 113.55 105.85 3kqz h SER 580 Ca 0.00 0.04 -0.64 0.00 -1.23 0.00 0.00 61.79 59.96 3kqz h SER 580 Cb 0.44 -0.14 -0.21 0.00 -0.44 0.00 0.00 62.40 62.06 3kqz h SER 580 CO 0.00 0.49 -0.65 0.86 -0.53 0.00 0.00 176.83 177.01 3kqz s TRP 581 N -6.01 3.06 -0.62 2.24 -0.11 -1.26 -0.21 118.94 116.03 3kqz s TRP 581 Ca -0.12 -0.29 -0.22 0.00 1.22 0.00 0.00 56.10 56.70 3kqz s TRP 581 Cb 0.20 -2.01 0.07 0.00 -1.50 0.00 0.00 33.47 30.23 3kqz s TRP 581 CO 0.80 -0.06 0.87 1.21 -4.62 0.00 0.00 176.95 175.14 3kqz s ASN 582 N 0.54 6.20 0.20 5.86 3.84 0.25 -4.88 114.94 126.95 3kqz s ASN 582 Ca -0.01 -1.02 -0.11 0.00 0.21 0.00 0.00 52.86 51.92 3kqz s ASN 582 Cb -0.14 -2.38 0.13 0.00 -0.55 0.00 0.00 41.25 38.31 3kqz s ASN 582 CO 0.02 -1.29 1.84 -0.26 -2.79 0.00 0.00 177.10 174.63 3kqz h PHE 583 N 9.39 0.89 -0.10 0.43 -1.00 -1.96 0.25 116.94 124.85 3kqz h PHE 583 Ca -0.29 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.49 3kqz h PHE 583 Cb 1.08 -0.30 -0.00 0.00 3.61 0.00 0.00 35.95 40.34 3kqz h PHE 583 CO 0.91 0.59 0.05 0.87 -1.61 0.00 0.00 178.31 179.12 3kqz h LYS 584 N 0.93 0.14 -0.00 1.51 1.57 -1.95 -3.03 116.57 115.74 3kqz h LYS 584 Ca 0.25 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kqz h LYS 584 Cb -0.05 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3kqz h LYS 584 CO -0.05 0.22 -0.17 0.00 -0.57 0.00 0.00 179.45 178.89 3kqz n ALA 585 N -2.19 2.76 -3.29 3.86 0.00 -1.18 -4.94 120.51 115.53 3kqz n ALA 585 Ca -0.06 -0.20 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 3kqz n ALA 585 Cb 0.09 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.41 -5.47 -4.25 0.00 1.74 0.83 -5.00 116.66 103.10 3kqz n ARG 586 Ca 0.08 0.80 -0.15 0.00 -0.77 0.00 0.00 57.85 57.80 3kqz n ARG 586 Cb 0.33 -5.69 -0.09 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 -5.98 1.44 0.68 5.56 -2.85 -0.98 -4.98 119.74 112.62 3kqz s LYS 587 Ca 0.42 -1.80 -0.11 0.00 -1.00 0.00 0.00 55.97 53.48 3kqz s LYS 587 Cb -0.19 0.21 -0.00 0.00 -2.06 0.00 0.00 37.83 35.79 3kqz s LYS 587 CO 0.52 -0.48 1.06 -2.14 0.10 0.00 0.00 175.35 174.41 3kqz s PRO 588 N -3.89 3.11 0.10 1.78 0.02 -1.26 0.85 135.00 135.71 3kqz s PRO 588 Ca 0.39 0.77 0.23 0.00 0.02 0.00 0.00 61.00 62.41 3kqz s PRO 588 Cb 0.05 -2.02 0.07 0.00 0.02 0.00 0.00 34.50 32.62 3kqz s PRO 588 CO 0.18 -0.93 1.05 1.63 -0.33 0.00 0.00 177.00 178.60 3kqz n LYS 589 N -2.99 0.40 -2.92 5.54 5.02 0.70 -4.62 118.16 119.29 3kqz n LYS 589 Ca 0.07 0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.17 3kqz n LYS 589 Cb 0.54 -1.67 0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 1.30 -0.52 3.77 0.72 0.00 -1.26 -4.91 105.19 104.29 3kqz n GLY 590 Ca 0.01 0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 3kqz n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kqz s PHE 591 N -3.14 2.86 0.00 1.61 5.36 -1.26 -3.43 117.98 119.99 3kqz s PHE 591 Ca 0.25 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.64 3kqz s PHE 591 Cb -0.11 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 3kqz s PHE 591 CO 0.31 -2.03 0.00 0.41 -1.46 0.00 0.00 175.22 172.45 3kqz n GLY 592 N 0.68 2.73 0.29 13.12 0.00 -1.26 -4.68 105.19 116.08 3kqz n GLY 592 Ca 0.03 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 0.45 -0.81 1.61 2.07 -1.77 0.40 116.25 118.21 3kqz h VAL 593 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3kqz h VAL 593 Cb 0.00 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 3kqz h VAL 593 CO 0.00 0.00 0.43 0.03 0.02 0.00 0.00 177.57 178.05 3kqz h ARG 594 N -0.56 1.14 -0.10 1.57 3.08 -1.89 -0.82 114.38 116.79 3kqz h ARG 594 Ca -0.01 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.92 3kqz h ARG 594 Cb 0.51 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3kqz h ARG 594 CO -0.04 0.85 -0.05 1.25 -1.07 0.00 0.00 179.97 180.90 3kqz h LEU 595 N 1.13 -0.17 -0.65 3.04 5.85 -1.71 0.71 115.31 123.51 3kqz h LEU 595 Ca 0.28 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.91 3kqz h LEU 595 Cb 0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3kqz h LEU 595 CO -0.04 -0.07 -0.42 -0.07 -0.34 0.00 0.00 178.44 177.49 3kqz h LEU 596 N -0.05 0.61 -0.45 2.25 3.38 -0.09 -0.66 115.31 120.30 3kqz h LEU 596 Ca 0.06 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 3kqz h LEU 596 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3kqz h LEU 596 CO -0.13 0.95 -0.21 0.74 0.09 0.00 0.00 178.44 179.88 3kqz h THR 597 N 0.47 1.27 -0.45 0.22 2.02 -0.79 -1.54 112.91 114.11 3kqz h THR 597 Ca 0.04 -1.36 -0.06 0.00 0.77 0.00 0.00 66.41 65.79 3kqz h THR 597 Cb 0.93 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3kqz h THR 597 CO 0.08 0.47 0.04 -0.33 0.37 0.00 0.00 175.52 176.15 3kqz h GLU 598 N 0.77 0.72 0.37 6.66 4.39 -0.70 -0.73 114.58 126.07 3kqz h GLU 598 Ca 0.10 -0.17 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3kqz h GLU 598 Cb 0.78 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 3kqz h GLU 598 CO 0.06 0.71 -0.18 0.35 -1.16 0.00 0.00 179.01 178.79 3kqz h PHE 599 N 0.68 -0.47 -1.00 4.33 3.57 -0.75 -0.88 116.94 122.42 3kqz h PHE 599 Ca 0.14 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3kqz h PHE 599 Cb 0.37 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 3kqz h PHE 599 CO 0.02 -0.25 0.66 0.28 -2.23 0.00 0.00 178.31 176.79 3kqz h VAL 600 N -0.57 1.23 -0.16 1.41 2.07 -1.13 -2.32 116.25 116.79 3kqz h VAL 600 Ca -0.05 -0.46 -0.16 0.00 0.82 0.00 0.00 66.70 66.85 3kqz h VAL 600 Cb 0.42 -0.22 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3kqz h VAL 600 CO 0.08 0.24 -0.51 -0.07 0.02 0.00 0.00 177.57 177.34 3kqz h LEU 601 N 1.34 0.73 0.00 2.57 4.07 -0.99 -3.32 115.31 119.70 3kqz h LEU 601 Ca 0.38 -0.60 -0.07 0.00 0.08 0.00 0.00 57.88 57.67 3kqz h LEU 601 Cb -0.11 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.41 3kqz h LEU 601 CO -0.09 1.20 -0.40 0.78 -1.08 0.00 0.00 178.44 178.84 3kqz h ASN 602 N 0.29 0.00 -0.02 -0.43 4.21 -1.06 -3.50 115.58 115.07 3kqz h ASN 602 Ca -0.02 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.49 3kqz h ASN 602 Cb 1.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 3kqz h ASN 602 CO 0.11 0.33 0.00 -0.67 -1.29 0.00 0.00 177.43 175.91