#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqz s GLU 87 N 0.00 4.27 -0.23 -1.46 0.41 -1.26 -4.92 118.70 115.51 3kqz s GLU 87 Ca 0.00 2.17 -0.23 0.00 -0.41 0.00 0.00 54.97 56.50 3kqz s GLU 87 Cb 0.00 -3.29 -0.01 0.00 -1.78 0.00 0.00 34.13 29.04 3kqz s GLU 87 CO 0.00 -0.53 0.74 0.08 -0.49 0.00 0.00 175.26 175.06 3kqz s VAL 88 N 1.41 4.91 0.62 2.63 1.01 -1.26 -5.03 120.40 124.69 3kqz s VAL 88 Ca 0.67 1.39 -0.16 0.00 0.00 0.00 0.00 61.98 63.88 3kqz s VAL 88 Cb -0.38 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 31.93 3kqz s VAL 88 CO 0.30 -0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.35 3kqz s PRO 89 N 2.56 2.99 0.03 2.72 0.04 -1.26 -4.95 135.00 137.13 3kqz s PRO 89 Ca 0.32 1.46 0.02 0.00 0.04 0.00 0.00 61.00 62.84 3kqz s PRO 89 Cb -0.16 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 3kqz s PRO 89 CO 0.08 -1.11 -0.06 -0.65 0.04 0.00 0.00 177.00 175.30 3kqz s GLN 90 N -3.82 0.44 -0.14 4.56 -0.21 -1.26 -5.02 119.66 114.21 3kqz s GLN 90 Ca 0.69 -0.55 -0.08 0.00 0.02 0.00 0.00 55.36 55.43 3kqz s GLN 90 Cb -0.22 -0.25 -0.25 0.00 1.00 0.00 0.00 33.01 33.29 3kqz s GLN 90 CO 0.37 0.05 0.31 0.28 -2.12 0.00 0.00 175.29 174.17 3kqz n VAL 91 N 1.95 1.74 -4.38 1.09 0.31 -1.26 -4.91 118.33 112.86 3kqz n VAL 91 Ca -0.20 -0.57 -0.24 0.00 -0.01 0.00 0.00 64.34 63.33 3kqz n VAL 91 Cb 0.56 -1.76 -0.11 0.00 -0.91 0.00 0.00 33.84 31.62 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 -2.53 2.08 -0.08 2.52 -7.23 -1.26 -5.01 120.40 108.88 3kqz s VAL 92 Ca -0.24 -2.04 0.25 0.00 -1.81 0.00 0.00 61.98 58.14 3kqz s VAL 92 Cb 0.07 -2.01 0.25 0.00 0.56 0.00 0.00 36.38 35.25 3kqz s VAL 92 CO 0.74 -0.28 1.77 0.77 -0.31 0.00 0.00 175.10 177.78 3kqz h SER 93 N 3.06 0.00 0.34 4.85 4.64 -2.03 -0.54 113.55 123.87 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 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kqz h SER 93 CO 0.52 0.00 -0.05 0.18 -0.87 0.00 0.00 176.83 176.61 3kqz n LEU 94 N -2.38 0.28 -4.70 5.97 4.77 -1.26 -4.84 117.00 114.83 3kqz n LEU 94 Ca -0.02 0.07 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 3kqz n LEU 94 Cb 0.05 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3kqz n LEU 94 CO 0.11 0.05 1.01 -1.81 -1.33 0.00 0.00 177.39 175.43 3kqz s ASP 95 N -2.39 6.95 0.50 -1.43 1.01 -0.21 -4.96 116.67 116.13 3kqz s ASP 95 Ca 0.33 2.07 -0.23 0.00 0.71 0.00 0.00 52.55 55.43 3kqz s ASP 95 Cb 0.21 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.50 3kqz s ASP 95 CO 0.44 -0.61 1.37 -2.65 0.21 0.00 0.00 175.17 173.93 3kqz n PRO 96 N 4.66 1.91 -0.25 8.23 -0.02 -1.26 -4.91 135.00 143.36 3kqz n PRO 96 Ca 0.11 0.69 0.06 0.00 -2.02 0.00 0.00 63.50 62.35 3kqz n PRO 96 Cb 0.45 -2.57 0.18 0.00 -0.02 0.00 0.00 33.50 31.54 3kqz n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3kqz n THR 97 N -0.66 1.37 -3.84 3.45 -2.24 -1.26 -4.87 114.28 106.22 3kqz n THR 97 Ca 0.08 -1.25 -0.07 0.00 -2.27 0.00 0.00 64.05 60.54 3kqz n THR 97 Cb 0.43 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.26 -0.27 -0.20 3.42 1.04 -1.26 -4.74 113.70 110.42 3kqz s SER 98 Ca 0.28 -0.58 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 3kqz s SER 98 Cb 0.18 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 3kqz s SER 98 CO 0.14 -1.33 0.37 -0.63 0.98 0.00 0.00 173.24 172.77 3kqz s ILE 99 N -3.90 5.22 0.03 -1.02 1.01 -1.26 -4.80 121.20 116.47 3kqz s ILE 99 Ca 0.11 0.66 -0.30 0.00 0.00 0.00 0.00 60.65 61.11 3kqz s ILE 99 Cb -0.06 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.65 3kqz s ILE 99 CO 0.06 0.27 1.24 -2.16 0.00 0.00 0.00 174.94 174.35 3kqz s PRO 100 N 1.23 4.39 -0.10 2.79 0.04 -1.26 -4.98 135.00 137.11 3kqz s PRO 100 Ca 0.18 1.80 0.03 0.00 0.04 0.00 0.00 61.00 63.05 3kqz s PRO 100 Cb -0.15 -3.41 0.01 0.00 0.04 0.00 0.00 34.50 30.98 3kqz s PRO 100 CO 0.07 -0.35 -0.20 0.42 0.04 0.00 0.00 177.00 176.98 3kqz s ILE 101 N 1.49 1.80 -0.26 0.56 1.01 -1.26 -4.98 121.20 119.57 3kqz s ILE 101 Ca 0.59 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 3kqz s ILE 101 Cb -0.29 -1.58 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3kqz s ILE 101 CO 0.27 0.50 0.13 -0.70 0.00 0.00 0.00 174.94 175.14 3kqz s GLU 102 N 0.51 3.83 -0.12 2.79 2.12 -1.26 -4.94 118.70 121.63 3kqz s GLU 102 Ca -0.16 -0.39 -0.10 0.00 0.36 0.00 0.00 54.97 54.69 3kqz s GLU 102 Cb -0.17 -3.48 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 3kqz s GLU 102 CO 0.06 -0.14 -0.21 0.66 -0.54 0.00 0.00 175.26 175.09 3kqz n TYR 103 N 4.86 0.00 -2.45 5.30 4.02 -1.26 -4.78 117.16 122.84 3kqz n TYR 103 Ca -0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.34 3kqz n TYR 103 Cb 0.52 -0.44 -0.03 0.00 -0.02 0.00 0.00 39.34 39.36 3kqz n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kqz s ASN 104 N -6.21 6.07 0.32 7.72 -0.87 -1.26 -4.97 114.94 115.73 3kqz s ASN 104 Ca -0.20 -0.62 0.02 0.00 -1.57 0.00 0.00 52.86 50.49 3kqz s ASN 104 Cb 0.06 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.69 3kqz s ASN 104 CO 0.27 -1.88 0.50 0.42 -2.57 0.00 0.00 177.10 173.84 3kqz s THR 105 N 6.25 5.14 0.61 1.60 -4.23 -1.26 -4.95 115.64 118.80 3kqz s THR 105 Ca 0.44 -0.59 0.30 0.00 -1.18 0.00 0.00 61.69 60.67 3kqz s THR 105 Cb -0.06 -3.86 0.36 0.00 1.34 0.00 0.00 72.50 70.27 3kqz s THR 105 CO 0.08 -0.50 2.03 -0.65 -0.54 0.00 0.00 174.62 175.04 3kqz h PRO 106 N 0.87 0.00 -0.41 3.99 0.11 -2.00 0.11 132.00 134.68 3kqz h PRO 106 Ca -0.50 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3kqz h PRO 106 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3kqz h PRO 106 CO 0.61 0.00 0.07 0.82 -0.21 0.00 0.00 178.00 179.29 3kqz h ILE 107 N 0.00 1.20 0.00 4.15 1.08 -1.93 -1.21 117.51 120.79 3kqz h ILE 107 Ca 0.09 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.82 3kqz h ILE 107 Cb 0.66 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.23 3kqz h ILE 107 CO -0.00 0.26 -0.06 0.45 -0.69 0.00 0.00 178.15 178.11 3kqz h HIS 108 N 0.59 0.00 -0.01 1.37 3.86 -1.15 -2.53 115.15 117.28 3kqz h HIS 108 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3kqz h HIS 108 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3kqz h HIS 108 CO 0.01 0.06 -0.01 -0.25 0.86 0.00 0.00 177.93 178.60 3kqz n ASP 109 N -3.39 1.34 -4.64 2.45 8.00 -0.46 -4.84 116.55 115.01 3kqz n ASP 109 Ca -0.02 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.63 3kqz n ASP 109 Cb 0.21 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.27 3kqz n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kqz s ILE 110 N -2.02 4.76 -0.16 0.53 1.01 -0.95 -4.80 121.20 119.58 3kqz s ILE 110 Ca 0.39 1.56 -0.29 0.00 0.00 0.00 0.00 60.65 62.30 3kqz s ILE 110 Cb 0.21 -4.19 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 3kqz s ILE 110 CO 0.34 -0.18 1.04 -0.54 0.00 0.00 0.00 174.94 175.60 3kqz s LYS 111 N 3.02 4.35 -0.20 2.79 3.01 0.36 -4.85 119.74 128.21 3kqz s LYS 111 Ca 0.37 1.41 -0.03 0.00 -1.01 0.00 0.00 55.97 56.70 3kqz s LYS 111 Cb -0.15 -3.59 -0.01 0.00 -1.01 0.00 0.00 37.83 33.07 3kqz s LYS 111 CO 0.09 -0.47 -0.06 0.08 0.51 0.00 0.00 175.35 175.51 3kqz s VAL 112 N 2.56 3.35 -0.08 3.17 1.01 -1.26 -0.26 120.40 128.89 3kqz s VAL 112 Ca 0.47 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3kqz s VAL 112 Cb -0.17 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 3kqz s VAL 112 CO 0.13 0.45 -0.21 -1.10 0.00 0.00 0.00 175.10 174.37 3kqz s GLN 113 N 1.19 2.82 -0.07 2.72 -0.21 -0.45 -4.99 119.66 120.67 3kqz s GLN 113 Ca 0.02 -0.84 -0.03 0.00 0.02 0.00 0.00 55.36 54.53 3kqz s GLN 113 Cb -0.14 -2.30 -0.04 0.00 1.00 0.00 0.00 33.01 31.52 3kqz s GLN 113 CO -0.02 0.33 0.09 0.08 -2.12 0.00 0.00 175.29 173.65 3kqz s VAL 114 N -0.01 4.95 0.12 1.09 1.01 -1.26 -1.10 120.40 125.20 3kqz s VAL 114 Ca -0.07 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3kqz s VAL 114 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3kqz s VAL 114 CO 0.05 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.22 3kqz s TYR 115 N -1.06 1.38 0.10 5.22 1.51 0.63 -4.94 117.35 120.19 3kqz s TYR 115 Ca 0.18 -0.55 -0.27 0.00 -1.01 0.00 0.00 57.07 55.41 3kqz s TYR 115 Cb -0.12 -0.73 -0.06 0.00 -0.11 0.00 0.00 41.96 40.94 3kqz s TYR 115 CO 0.07 0.13 0.86 0.34 -1.11 0.00 0.00 175.55 175.85 3kqz s ASP 116 N -2.40 7.39 0.45 2.29 -1.08 -1.26 -1.59 116.67 120.46 3kqz s ASP 116 Ca 0.08 1.65 0.14 0.00 -0.52 0.00 0.00 52.55 53.91 3kqz s ASP 116 Cb -0.05 -2.53 1.00 0.00 -1.46 0.00 0.00 42.92 39.87 3kqz s ASP 116 CO 0.03 0.02 1.99 -0.29 0.52 0.00 0.00 175.17 177.43 3kqz h ILE 117 N 3.91 1.13 -0.29 4.11 2.10 -1.33 -3.08 117.51 124.06 3kqz h ILE 117 Ca -0.44 -0.65 0.08 0.00 1.08 0.00 0.00 64.86 64.94 3kqz h ILE 117 Cb 1.21 1.35 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 3kqz h ILE 117 CO 0.70 0.19 0.27 0.07 -1.08 0.00 0.00 178.15 178.29 3kqz h LYS 118 N 0.00 0.00 -0.53 2.19 -0.00 -1.92 -1.42 116.57 114.89 3kqz h LYS 118 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 3kqz h LYS 118 Cb 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.57 3kqz h LYS 118 CO 0.02 0.00 0.00 0.41 -0.00 0.00 0.00 179.45 179.88 3kqz n GLY 119 N -1.50 1.72 0.00 0.07 0.00 -1.16 -4.99 105.19 99.34 3kqz n GLY 119 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 1.46 -1.88 3.68 -0.02 0.00 -0.54 -4.95 105.19 102.95 3kqz n GLY 120 Ca 0.20 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 3kqz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqz s ASN 122 N 0.91 7.16 -0.39 0.00 0.01 -1.26 -1.04 114.94 120.33 3kqz s ASN 122 Ca 0.14 1.41 0.03 0.00 -0.71 0.00 0.00 52.86 53.73 3kqz s ASN 122 Cb -0.14 -2.49 0.11 0.00 0.41 0.00 0.00 41.25 39.14 3kqz s ASN 122 CO 0.06 -0.22 0.12 -0.69 -1.51 0.00 0.00 177.10 174.85 3kqz s VAL 123 N 1.09 2.47 0.00 1.60 1.01 -1.26 -4.91 120.40 120.40 3kqz s VAL 123 Ca 0.44 -2.55 0.00 0.00 0.00 0.00 0.00 61.98 59.88 3kqz s VAL 123 Cb -0.19 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3kqz s VAL 123 CO 0.22 -0.66 0.00 -0.62 0.00 0.00 0.00 175.10 174.04 3kqz n GLU 124 N 4.02 1.59 -3.81 2.72 1.02 -1.26 -4.87 120.64 120.05 3kqz n GLU 124 Ca 0.04 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.09 3kqz n GLU 124 Cb 0.40 -0.86 0.02 0.00 -0.02 0.00 0.00 31.44 30.98 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 -1.50 2.19 1.74 3.49 -1.05 -1.26 -4.91 118.70 117.39 3kqz s GLU 125 Ca 0.00 -1.40 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 3kqz s GLU 125 Cb 0.00 0.62 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 3kqz s GLU 125 CO 0.00 -1.02 0.00 0.41 0.95 0.00 0.00 175.26 175.60 3kqz n GLY 126 N -0.53 2.34 3.30 -3.83 0.00 -1.26 -4.62 105.19 100.59 3kqz n GLY 126 Ca -0.08 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 3kqz n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kqz s LEU 127 N 0.00 2.22 -0.30 0.99 2.96 -0.11 -2.18 118.68 122.27 3kqz s LEU 127 Ca 0.00 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3kqz s LEU 127 Cb 0.00 -1.42 0.07 0.00 0.50 0.00 0.00 46.19 45.34 3kqz s LEU 127 CO 0.00 0.25 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.36 3kqz s THR 128 N -0.17 2.48 -0.14 3.68 2.01 0.12 -0.04 115.64 123.58 3kqz s THR 128 Ca -0.03 -1.76 -0.12 0.00 0.31 0.00 0.00 61.69 60.10 3kqz s THR 128 Cb -0.14 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 3kqz s THR 128 CO 0.04 -0.22 0.24 -0.63 -0.69 0.00 0.00 174.62 173.36 3kqz s ILE 129 N 1.10 5.34 -0.18 1.82 -1.09 0.08 0.07 121.20 128.34 3kqz s ILE 129 Ca -0.03 0.44 -0.08 0.00 -2.23 0.00 0.00 60.65 58.75 3kqz s ILE 129 Cb -0.20 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 37.08 3kqz s ILE 129 CO -0.05 0.48 0.09 -0.36 -1.23 0.00 0.00 174.94 173.87 3kqz s PHE 130 N -0.11 3.32 -0.31 3.97 0.40 -0.18 0.24 117.98 125.31 3kqz s PHE 130 Ca 0.15 0.19 -0.18 0.00 -0.60 0.00 0.00 56.93 56.50 3kqz s PHE 130 Cb -0.13 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.30 3kqz s PHE 130 CO 0.04 0.25 0.50 -0.51 0.70 0.00 0.00 175.22 176.20 3kqz s LEU 131 N 0.23 4.22 -0.02 -0.37 1.43 0.12 -1.28 118.68 123.01 3kqz s LEU 131 Ca 0.06 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3kqz s LEU 131 Cb -0.12 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.52 3kqz s LEU 131 CO -0.00 -0.39 0.05 0.54 0.23 0.00 0.00 176.35 176.77 3kqz s VAL 132 N 2.33 -0.01 0.48 -1.59 0.11 -1.05 -0.88 120.40 119.80 3kqz s VAL 132 Ca 0.19 0.03 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3kqz s VAL 132 Cb -0.16 -0.08 -0.01 0.00 -1.53 0.00 0.00 36.38 34.61 3kqz s VAL 132 CO 0.12 0.01 0.06 0.54 -3.33 0.00 0.00 175.10 172.50 3kqz s ASN 133 N 0.16 3.60 -0.42 3.54 4.22 -1.26 -1.21 114.94 123.57 3kqz s ASN 133 Ca -0.01 -1.70 0.04 0.00 -2.14 0.00 0.00 52.86 49.05 3kqz s ASN 133 Cb -0.02 0.61 0.17 0.00 1.28 0.00 0.00 41.25 43.29 3kqz s ASN 133 CO -0.00 -0.93 0.40 0.21 -2.04 0.00 0.00 177.10 174.74 3kqz s ASN 134 N -3.78 0.98 0.01 3.54 3.84 -0.84 -4.82 114.94 113.87 3kqz s ASN 134 Ca 0.11 -2.61 -0.35 0.00 0.21 0.00 0.00 52.86 50.22 3kqz s ASN 134 Cb 0.01 0.09 -0.13 0.00 -0.55 0.00 0.00 41.25 40.67 3kqz s ASN 134 CO 0.07 -0.17 1.71 -2.65 -2.79 0.00 0.00 177.10 173.27 3kqz n PRO 135 N 3.09 2.01 0.00 0.43 -0.02 -1.26 -2.61 135.00 136.65 3kqz n PRO 135 Ca 0.25 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3kqz n PRO 135 Cb 0.48 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3kqz n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 136 N 3.84 2.39 3.55 -1.23 0.00 -0.48 -4.99 105.19 108.28 3kqz n GLY 136 Ca 0.20 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 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 2.17 -0.22 1.61 -2.85 -1.07 -4.93 119.74 114.46 3kqz s LYS 137 Ca 0.00 0.82 -0.35 0.00 -1.00 0.00 0.00 55.97 55.44 3kqz s LYS 137 Cb 0.00 -4.63 -0.12 0.00 -2.06 0.00 0.00 37.83 31.02 3kqz s LYS 137 CO 0.00 -3.41 1.99 0.39 0.10 0.00 0.00 175.35 174.42 3kqz n GLU 138 N 9.00 1.65 -3.02 1.78 4.71 -1.26 -0.38 120.64 133.11 3kqz n GLU 138 Ca 0.35 0.55 -0.22 0.00 -0.01 0.00 0.00 57.16 57.84 3kqz n GLU 138 Cb 0.51 -2.55 0.02 0.00 -1.01 0.00 0.00 31.44 28.40 3kqz n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kqz n ASN 139 N 7.92 -5.16 -3.88 1.62 3.02 -1.26 -4.98 115.26 112.54 3kqz n ASN 139 Ca 0.30 -0.25 -0.30 0.00 -0.03 0.00 0.00 54.58 54.30 3kqz n ASN 139 Cb 0.26 -4.22 0.26 0.00 -0.61 0.00 0.00 39.78 35.48 3kqz n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kqz s GLY 140 N -2.59 1.49 0.83 7.41 0.00 0.49 -4.31 107.32 110.63 3kqz s GLY 140 Ca 0.28 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 44.24 3kqz s GLY 140 CO 0.35 0.24 1.09 2.56 0.00 0.00 0.00 173.10 177.33 3kqz s PRO 141 N -4.98 1.77 -0.20 2.90 0.04 -1.26 -1.23 135.00 132.04 3kqz s PRO 141 Ca 0.69 0.91 -0.27 0.00 0.04 0.00 0.00 61.00 62.36 3kqz s PRO 141 Cb -0.16 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3kqz s PRO 141 CO 0.59 -1.91 0.95 0.08 0.04 0.00 0.00 177.00 176.75 3kqz s VAL 142 N -2.96 4.78 -0.24 -0.36 1.01 -0.32 -4.58 120.40 117.72 3kqz s VAL 142 Ca 0.62 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 64.43 3kqz s VAL 142 Cb -0.17 -4.23 0.08 0.00 0.00 0.00 0.00 36.38 32.05 3kqz s VAL 142 CO 0.56 -0.08 0.07 -0.54 0.00 0.00 0.00 175.10 175.12 3kqz s LYS 143 N 2.67 0.55 0.15 2.72 1.02 -1.26 -4.50 119.74 121.09 3kqz s LYS 143 Ca 0.42 -0.60 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 3kqz s LYS 143 Cb -0.16 -1.89 -0.09 0.00 -0.52 0.00 0.00 37.83 35.17 3kqz s LYS 143 CO 0.10 -0.81 1.48 0.42 -0.92 0.00 0.00 175.35 175.62 3kqz s ILE 144 N 1.85 2.90 -0.15 2.17 -1.09 -1.26 -4.93 121.20 120.69 3kqz s ILE 144 Ca 0.04 0.66 0.16 0.00 -2.23 0.00 0.00 60.65 59.28 3kqz s ILE 144 Cb -0.17 -3.42 -0.22 0.00 -1.58 0.00 0.00 42.46 37.07 3kqz s ILE 144 CO -0.18 0.06 0.11 -1.54 -1.23 0.00 0.00 174.94 172.16 3kqz n SER 145 N 3.77 0.82 -4.76 3.58 3.41 -1.26 -5.01 113.62 114.18 3kqz n SER 145 Ca 0.12 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.35 3kqz n SER 145 Cb 0.40 1.06 0.03 0.00 -0.26 0.00 0.00 64.21 65.43 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 -4.93 5.54 0.37 4.04 0.01 -1.26 -4.99 113.70 112.47 3kqz s SER 146 Ca -0.08 2.69 -0.27 0.00 1.31 0.00 0.00 55.95 59.60 3kqz s SER 146 Cb 0.06 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 3kqz s SER 146 CO 0.70 -1.38 1.24 -1.59 0.41 0.00 0.00 173.24 172.62 3kqz s LYS 147 N -2.80 4.19 -0.06 12.44 0.00 -1.26 -4.99 119.74 127.26 3kqz s LYS 147 Ca 0.68 2.03 0.05 0.00 0.00 0.00 0.00 55.97 58.73 3kqz s LYS 147 Cb -0.38 -2.87 -0.00 0.00 0.00 0.00 0.00 37.83 34.57 3kqz s LYS 147 CO 0.46 -0.26 -0.20 0.08 0.00 0.00 0.00 175.35 175.43 3kqz s VAL 148 N -1.26 1.69 -1.16 1.79 1.01 -1.26 -2.15 120.40 119.05 3kqz s VAL 148 Ca 0.53 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3kqz s VAL 148 Cb -0.35 -1.45 0.23 0.00 0.00 0.00 0.00 36.38 34.80 3kqz s VAL 148 CO 0.46 0.48 2.06 0.59 0.00 0.00 0.00 175.10 178.69 3kqz n ASN 149 N 3.22 7.60 -3.23 3.32 3.02 -0.21 -4.77 115.26 124.20 3kqz n ASN 149 Ca -0.19 -3.43 0.03 0.00 -0.03 0.00 0.00 54.58 50.96 3kqz n ASN 149 Cb 0.53 -1.26 -0.02 0.00 -0.61 0.00 0.00 39.78 38.42 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 -0.57 -1.17 0.19 6.41 2.15 -1.26 -4.70 116.67 117.71 3kqz s ASP 150 Ca 0.45 0.88 -0.17 0.00 0.43 0.00 0.00 52.55 54.15 3kqz s ASP 150 Cb 0.18 2.04 0.15 0.00 -0.30 0.00 0.00 42.92 44.99 3kqz s ASP 150 CO -0.11 -0.22 1.64 0.07 -0.17 0.00 0.00 175.17 176.38 3kqz h LYS 151 N 7.97 -0.05 -0.18 4.34 2.10 -1.99 0.17 116.57 128.94 3kqz h LYS 151 Ca -0.20 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.40 3kqz h LYS 151 Cb 1.15 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3kqz h LYS 151 CO 0.17 -0.03 -0.10 1.96 -2.00 0.00 0.00 179.45 179.45 3kqz h GLN 152 N -0.05 0.38 -0.34 0.07 1.08 -1.92 0.57 115.11 114.90 3kqz h GLN 152 Ca 0.24 -0.17 -0.10 0.00 -1.45 0.00 0.00 58.65 57.17 3kqz h GLN 152 Cb 0.42 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 3kqz h GLN 152 CO -0.54 0.69 -0.17 0.28 -0.95 0.00 0.00 178.83 178.15 3kqz h VAL 153 N 0.06 1.29 -0.92 -0.54 2.07 -1.78 -0.52 116.25 115.90 3kqz h VAL 153 Ca 0.04 -1.28 0.12 0.00 0.82 0.00 0.00 66.70 66.40 3kqz h VAL 153 Cb 0.59 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 3kqz h VAL 153 CO 0.03 0.42 0.54 0.28 0.02 0.00 0.00 177.57 178.86 3kqz h SER 154 N 0.49 0.76 -0.01 0.57 0.02 -0.55 -1.67 113.55 113.17 3kqz h SER 154 Ca 0.08 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3kqz h SER 154 Cb 0.71 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3kqz h SER 154 CO 0.05 0.39 0.01 -0.33 -1.14 0.00 0.00 176.83 175.81 3kqz h GLU 155 N 0.84 0.02 -0.01 3.45 5.08 -0.28 -2.62 114.58 121.06 3kqz h GLU 155 Ca 0.47 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 3kqz h GLU 155 Cb 0.52 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 3kqz h GLU 155 CO -0.29 0.06 0.01 0.35 -1.00 0.00 0.00 179.01 178.14 3kqz h PHE 156 N -0.03 0.00 -0.70 4.33 3.57 -0.61 -2.57 116.94 120.93 3kqz h PHE 156 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kqz h PHE 156 Cb 0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.78 3kqz h PHE 156 CO -0.06 0.00 0.00 1.28 -2.23 0.00 0.00 178.31 177.30 3kqz n LEU 157 N -4.11 4.36 -4.70 0.59 4.77 -0.67 -4.71 117.00 112.53 3kqz n LEU 157 Ca -0.03 -2.19 -0.39 0.00 -0.03 0.00 0.00 56.01 53.37 3kqz n LEU 157 Cb 0.09 -0.54 0.04 0.00 -2.33 0.00 0.00 43.42 40.69 3kqz n LEU 157 CO 0.30 0.90 0.84 0.29 -1.33 0.00 0.00 177.39 178.39 3kqz n LYS 158 N 1.42 1.49 -0.35 3.23 4.01 -0.97 -4.66 118.16 122.34 3kqz n LYS 158 Ca 0.25 0.55 0.14 0.00 -0.51 0.00 0.00 58.31 58.75 3kqz n LYS 158 Cb 0.76 -2.42 0.34 0.00 -0.51 0.00 0.00 35.03 33.20 3kqz n LYS 158 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 3kqz h ASP 159 N 1.27 0.71 -0.79 4.39 3.45 -1.92 -0.36 116.42 123.18 3kqz h ASP 159 Ca -0.49 0.12 0.04 0.00 0.43 0.00 0.00 57.03 57.12 3kqz h ASP 159 Cb 1.32 -0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 40.04 3kqz h ASP 159 CO 0.56 0.19 0.50 -0.33 -1.57 0.00 0.00 179.24 178.59 3kqz h GLU 160 N 0.67 0.93 0.00 3.56 3.07 -1.95 -0.09 114.58 120.77 3kqz h GLU 160 Ca 0.60 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3kqz h GLU 160 Cb 1.02 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 3kqz h GLU 160 CO -0.43 0.61 0.00 -1.71 -1.40 0.00 0.00 179.01 176.09 3kqz n ASN 161 N -4.62 0.00 -0.07 1.42 5.15 -0.17 -3.67 115.26 113.31 3kqz n ASN 161 Ca 0.09 0.22 0.07 0.00 -0.60 0.00 0.00 54.58 54.37 3kqz n ASN 161 Cb 0.10 -0.40 -0.07 0.00 -0.53 0.00 0.00 39.78 38.88 3kqz n ASN 161 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 3kqz n MET 162 N -1.40 1.84 0.11 1.20 2.81 -0.11 -4.65 117.12 116.92 3kqz n MET 162 Ca 0.10 -0.14 -0.02 0.00 -1.81 0.00 0.00 57.70 55.82 3kqz n MET 162 Cb 0.28 -1.24 0.21 0.00 -0.71 0.00 0.00 33.22 31.76 3kqz n MET 162 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3kqz h GLU 163 N 0.32 0.16 0.00 0.03 4.11 -1.44 -2.22 114.58 115.53 3kqz h GLU 163 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.34 3kqz h GLU 163 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3kqz h GLU 163 CO 0.00 0.62 0.00 0.36 0.07 0.00 0.00 179.01 180.06 3kqz n LYS 164 N -3.96 0.05 -4.88 1.06 2.85 -1.26 -4.68 118.16 107.35 3kqz n LYS 164 Ca -0.02 0.53 -0.33 0.00 -1.05 0.00 0.00 58.31 57.44 3kqz n LYS 164 Cb 0.53 -1.67 -0.13 0.00 -0.65 0.00 0.00 35.03 33.11 3kqz n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3kqz s PHE 165 N -3.20 2.69 0.50 5.58 2.99 -0.83 -5.08 117.98 120.62 3kqz s PHE 165 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 56.93 56.79 3kqz s PHE 165 Cb 0.03 -1.62 -0.02 0.00 0.00 0.00 0.00 43.02 41.42 3kqz s PHE 165 CO 0.10 0.19 0.07 0.54 -0.00 0.00 0.00 175.22 176.12 3kqz s ASN 166 N -0.79 4.19 -0.11 1.36 2.20 -1.26 -1.18 114.94 119.34 3kqz s ASN 166 Ca 0.12 -1.54 0.17 0.00 -0.94 0.00 0.00 52.86 50.67 3kqz s ASN 166 Cb -0.11 0.36 0.66 0.00 -2.00 0.00 0.00 41.25 40.16 3kqz s ASN 166 CO 0.01 -0.83 1.58 1.33 -2.94 0.00 0.00 177.10 176.25 3kqz n VAL 167 N -1.30 1.84 -1.59 3.54 0.24 -0.37 -4.71 118.33 115.99 3kqz n VAL 167 Ca -0.14 -1.27 -0.53 0.00 -2.04 0.00 0.00 64.34 60.36 3kqz n VAL 167 Cb 0.66 0.11 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 3kqz n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kqz n LYS 168 N 0.86 1.07 -1.72 7.34 4.81 -1.26 -1.03 118.16 128.23 3kqz n LYS 168 Ca 0.24 0.39 -0.60 0.00 -0.87 0.00 0.00 58.31 57.46 3kqz n LYS 168 Cb 0.86 -2.02 -0.08 0.00 0.02 0.00 0.00 35.03 33.81 3kqz n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kqz n LEU 169 N 2.61 2.08 0.00 3.14 0.00 -1.26 -0.83 117.00 122.74 3kqz n LEU 169 Ca 0.19 1.09 0.00 0.00 0.00 0.00 0.00 56.01 57.29 3kqz n LEU 169 Cb 0.18 -1.07 0.00 0.00 0.00 0.00 0.00 43.42 42.53 3kqz n LEU 169 CO 0.63 -0.53 0.00 0.61 0.00 0.00 0.00 177.39 178.10 3kqz n GLY 170 N 4.22 0.74 3.80 -3.96 0.00 -0.10 -4.94 105.19 104.95 3kqz n GLY 170 Ca 0.28 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 3kqz n GLY 170 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3kqz s THR 171 N -2.96 3.94 0.05 2.61 -1.32 -0.01 -4.77 115.64 113.18 3kqz s THR 171 Ca 0.00 1.31 -0.17 0.00 -1.21 0.00 0.00 61.69 61.63 3kqz s THR 171 Cb 0.00 -3.59 0.03 0.00 -1.51 0.00 0.00 72.50 67.43 3kqz s THR 171 CO 0.00 -0.16 0.38 -0.94 -2.21 0.00 0.00 174.62 171.69 3kqz s SER 172 N -1.88 -0.23 0.03 8.08 1.04 -1.26 0.34 113.70 119.82 3kqz s SER 172 Ca 0.62 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.98 3kqz s SER 172 Cb -0.16 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 3kqz s SER 172 CO 0.21 -0.66 -0.05 -0.54 0.98 0.00 0.00 173.24 173.17 3kqz s LYS 173 N -2.59 0.41 -0.07 4.02 3.01 -0.87 -4.99 119.74 118.66 3kqz s LYS 173 Ca -0.05 -0.59 -0.00 0.00 -1.01 0.00 0.00 55.97 54.33 3kqz s LYS 173 Cb -0.01 -0.16 -0.03 0.00 -1.01 0.00 0.00 37.83 36.63 3kqz s LYS 173 CO -0.03 0.02 -0.04 -1.01 0.51 0.00 0.00 175.35 174.79 3kqz s HIS 174 N -1.15 3.01 0.12 3.18 3.76 -1.26 -2.23 115.29 120.72 3kqz s HIS 174 Ca -0.10 0.08 0.06 0.00 -0.15 0.00 0.00 55.06 54.96 3kqz s HIS 174 Cb -0.08 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 3kqz s HIS 174 CO -0.00 0.38 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.05 3kqz s PHE 175 N -0.84 1.48 -0.05 1.40 2.99 0.22 -4.96 117.98 118.22 3kqz s PHE 175 Ca 0.13 -0.51 0.02 0.00 0.00 0.00 0.00 56.93 56.57 3kqz s PHE 175 Cb -0.11 -0.78 0.01 0.00 0.00 0.00 0.00 43.02 42.14 3kqz s PHE 175 CO 0.02 0.17 -0.10 -0.47 -0.00 0.00 0.00 175.22 174.83 3kqz s TYR 176 N -1.89 1.24 0.26 0.36 5.04 -1.26 -1.19 117.35 119.91 3kqz s TYR 176 Ca 0.08 -0.41 -0.22 0.00 -2.44 0.00 0.00 57.07 54.09 3kqz s TYR 176 Cb -0.06 -0.92 0.03 0.00 0.35 0.00 0.00 41.96 41.35 3kqz s TYR 176 CO 0.04 -0.22 0.73 0.00 -1.34 0.00 0.00 175.55 174.76 3kqz s MET 177 N 0.57 1.70 -0.22 4.97 0.23 0.26 -4.99 119.30 121.83 3kqz s MET 177 Ca -0.11 -0.92 -0.10 0.00 -1.03 0.00 0.00 55.69 53.52 3kqz s MET 177 Cb -0.14 0.59 -0.05 0.00 -1.53 0.00 0.00 34.83 33.70 3kqz s MET 177 CO 0.02 -0.78 0.14 -0.06 -2.03 0.00 0.00 175.02 172.32 3kqz s PHE 178 N -3.85 3.36 1.08 3.16 0.08 -1.25 0.12 117.98 120.69 3kqz s PHE 178 Ca 0.10 0.28 -0.18 0.00 0.12 0.00 0.00 56.93 57.25 3kqz s PHE 178 Cb -0.05 -2.21 0.25 0.00 -0.57 0.00 0.00 43.02 40.44 3kqz s PHE 178 CO 0.05 0.18 1.25 0.54 -0.10 0.00 0.00 175.22 177.14 3kqz s ASN 179 N 0.69 2.01 0.44 1.36 2.20 -0.09 -4.63 114.94 116.92 3kqz s ASN 179 Ca 0.08 0.33 0.21 0.00 -0.94 0.00 0.00 52.86 52.54 3kqz s ASN 179 Cb -0.12 -0.39 1.18 0.00 -2.00 0.00 0.00 41.25 39.92 3kqz s ASN 179 CO 0.01 -3.42 1.85 0.44 -2.94 0.00 0.00 177.10 173.04 3kqz h ASP 180 N -2.11 0.32 -0.08 3.54 3.32 -1.91 0.59 116.42 120.10 3kqz h ASP 180 Ca -0.44 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3kqz h ASP 180 Cb 1.25 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3kqz h ASP 180 CO 0.33 0.11 0.00 0.59 -1.72 0.00 0.00 179.24 178.55 3kqz n ASN 181 N -4.47 1.57 -4.08 6.45 3.02 -1.26 -4.86 115.26 111.64 3kqz n ASN 181 Ca 0.20 -2.12 -0.33 0.00 -0.03 0.00 0.00 54.58 52.31 3kqz n ASN 181 Cb 0.80 -0.51 -0.00 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.07 -4.21 -4.22 3.52 2.85 0.21 -4.96 118.16 111.41 3kqz n LYS 182 Ca 0.04 0.47 -0.29 0.00 -1.05 0.00 0.00 58.31 57.48 3kqz n LYS 182 Cb 0.36 -5.25 -0.09 0.00 -0.65 0.00 0.00 35.03 29.40 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 -3.36 4.47 -0.04 -5.58 0.02 -1.25 -4.86 114.94 104.35 3kqz s ASN 183 Ca 0.67 -0.39 -0.30 0.00 -1.02 0.00 0.00 52.86 51.83 3kqz s ASN 183 Cb -0.35 -0.87 -0.03 0.00 0.02 0.00 0.00 41.25 40.02 3kqz s ASN 183 CO 0.88 0.16 1.02 -0.94 0.02 0.00 0.00 177.10 178.25 3kqz s SER 184 N -2.34 7.28 -0.03 -1.22 1.04 -1.26 -0.91 113.70 116.26 3kqz s SER 184 Ca 0.23 1.65 0.01 0.00 0.48 0.00 0.00 55.95 58.31 3kqz s SER 184 Cb -0.11 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.47 3kqz s SER 184 CO 0.15 -0.37 -0.01 0.54 0.98 0.00 0.00 173.24 174.53 3kqz s VAL 185 N 1.47 0.20 -0.23 5.02 0.11 0.32 -4.78 120.40 122.51 3kqz s VAL 185 Ca 0.51 0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.49 3kqz s VAL 185 Cb -0.21 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3kqz s VAL 185 CO 0.24 0.14 0.28 0.00 -3.33 0.00 0.00 175.10 172.44 3kqz s ALA 186 N 0.91 3.58 0.33 1.54 0.00 -0.93 -0.57 121.76 126.62 3kqz s ALA 186 Ca -0.09 -0.75 0.09 0.00 0.00 0.00 0.00 51.96 51.21 3kqz s ALA 186 Cb -0.13 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 3kqz s ALA 186 CO -0.01 -0.32 0.00 0.08 0.00 0.00 0.00 175.76 175.51 3kqz s VAL 187 N 1.34 2.68 0.07 0.00 1.01 -0.33 -0.71 120.40 124.46 3kqz s VAL 187 Ca 0.13 -1.99 -0.13 0.00 0.00 0.00 0.00 61.98 59.99 3kqz s VAL 187 Cb -0.14 -2.78 0.05 0.00 0.00 0.00 0.00 36.38 33.50 3kqz s VAL 187 CO 0.07 -0.22 0.63 0.61 0.00 0.00 0.00 175.10 176.19 3kqz n GLY 188 N -0.94 0.76 3.28 4.51 0.00 0.11 0.70 105.19 113.62 3kqz n GLY 188 Ca -0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.41 -0.23 -0.07 1.61 1.13 -0.95 -1.01 117.35 114.42 3kqz s TYR 189 Ca 0.14 0.29 0.04 0.00 -1.41 0.00 0.00 57.07 56.14 3kqz s TYR 189 Cb -0.01 0.15 -0.01 0.00 -1.10 0.00 0.00 41.96 40.98 3kqz s TYR 189 CO 0.02 -0.46 -0.20 0.08 -2.51 0.00 0.00 175.55 172.49 3kqz s VAL 190 N -1.71 2.53 0.16 -3.49 1.01 -0.41 -2.06 120.40 116.44 3kqz s VAL 190 Ca -0.11 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.69 3kqz s VAL 190 Cb -0.03 -1.98 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 3kqz s VAL 190 CO 0.03 0.56 0.97 -0.83 0.00 0.00 0.00 175.10 175.83 3kqz s GLY 191 N -0.16 3.03 -0.19 4.51 0.00 0.15 -2.51 107.32 112.15 3kqz s GLY 191 Ca -0.02 0.61 0.16 0.00 0.00 0.00 0.00 44.72 45.47 3kqz s GLY 191 CO 0.04 1.40 1.39 0.00 0.00 0.00 0.00 173.10 175.92 3kqz n GLY 193 N -0.75 -1.27 0.04 0.00 0.00 -0.20 -4.60 105.19 98.41 3kqz n GLY 193 Ca 0.22 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.21 1.25 -4.47 1.61 3.41 -1.26 -1.99 113.62 111.95 3kqz n SER 194 Ca 0.00 -1.20 -0.40 0.00 -0.26 0.00 0.00 58.87 57.00 3kqz n SER 194 Cb 0.00 -0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 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 -0.23 5.03 0.02 -3.33 1.01 -1.26 -1.38 120.40 120.26 3kqz s VAL 195 Ca 0.01 -0.44 0.28 0.00 0.00 0.00 0.00 61.98 61.84 3kqz s VAL 195 Cb 0.01 -3.65 0.28 0.00 0.00 0.00 0.00 36.38 33.02 3kqz s VAL 195 CO 0.01 -0.08 1.86 0.00 0.00 0.00 0.00 175.10 176.89 3kqz h ALA 196 N 8.48 1.00 -2.92 5.51 0.00 -1.92 -3.33 119.26 126.08 3kqz h ALA 196 Ca -0.30 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.89 3kqz h ALA 196 Cb 1.14 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.61 3kqz h ALA 196 CO 0.65 0.00 -0.34 0.16 0.00 0.00 0.00 179.25 179.72 3kqz s ASP 197 N -4.38 5.62 0.06 0.00 -4.77 -1.26 -4.59 116.67 107.35 3kqz s ASP 197 Ca -0.03 -2.35 -0.30 0.00 -3.30 0.00 0.00 52.55 46.57 3kqz s ASP 197 Cb 0.08 -1.96 -0.05 0.00 -1.09 0.00 0.00 42.92 39.90 3kqz s ASP 197 CO 0.27 -0.55 1.14 -0.76 0.70 0.00 0.00 175.17 175.98 3kqz s LEU 198 N 0.69 4.38 0.63 2.11 1.43 -1.25 -5.04 118.68 121.63 3kqz s LEU 198 Ca 0.11 1.95 -0.07 0.00 -1.03 0.00 0.00 54.13 55.10 3kqz s LEU 198 Cb -0.22 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.44 3kqz s LEU 198 CO -0.03 -0.40 0.96 -0.94 0.23 0.00 0.00 176.35 176.16 3kqz s SER 199 N 0.91 5.46 0.10 2.29 1.04 -1.26 -4.78 113.70 117.46 3kqz s SER 199 Ca 0.56 0.77 -0.19 0.00 0.48 0.00 0.00 55.95 57.57 3kqz s SER 199 Cb -0.28 -1.67 -0.04 0.00 0.10 0.00 0.00 66.02 64.13 3kqz s SER 199 CO 0.30 -1.19 1.13 1.21 0.98 0.00 0.00 173.24 175.66 3kqz n GLU 200 N -2.72 -0.27 0.05 4.02 0.00 -1.26 -0.39 120.64 120.07 3kqz n GLU 200 Ca 0.05 1.11 0.03 0.00 0.00 0.00 0.00 57.16 58.35 3kqz n GLU 200 Cb 0.58 -1.64 0.40 0.00 0.00 0.00 0.00 31.44 30.78 3kqz n GLU 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3kqz h ALA 201 N 0.13 1.60 0.29 4.31 0.00 -1.93 0.08 119.26 123.73 3kqz h ALA 201 Ca 0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3kqz h ALA 201 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3kqz h ALA 201 CO -0.58 0.31 -0.14 -0.44 0.00 0.00 0.00 179.25 178.40 3kqz h ASP 202 N 0.42 -0.33 -0.87 0.00 3.32 -1.36 -2.28 116.42 115.33 3kqz h ASP 202 Ca 0.10 -0.10 0.09 0.00 0.02 0.00 0.00 57.03 57.14 3kqz h ASP 202 Cb 0.14 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 3kqz h ASP 202 CO -0.01 -0.09 0.57 -0.03 -1.72 0.00 0.00 179.24 177.95 3kqz h MET 203 N -0.56 0.86 0.00 3.56 4.05 -0.30 0.34 114.93 122.89 3kqz h MET 203 Ca -0.04 -0.05 -0.04 0.00 -0.28 0.00 0.00 59.70 59.29 3kqz h MET 203 Cb 0.41 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 3kqz h MET 203 CO 0.07 0.57 -0.21 -0.22 0.23 0.00 0.00 176.91 177.34 3kqz h LYS 204 N 0.88 0.00 -0.01 0.39 1.63 -0.86 -1.45 116.57 117.15 3kqz h LYS 204 Ca 0.40 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 60.00 3kqz h LYS 204 Cb 0.37 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3kqz h LYS 204 CO -0.16 0.21 -0.75 0.00 -3.45 0.00 0.00 179.45 175.29 3kqz h ARG 205 N 0.00 0.52 -0.31 1.90 3.08 0.25 -1.65 114.38 118.17 3kqz h ARG 205 Ca -0.00 -0.55 0.07 0.00 0.07 0.00 0.00 59.98 59.57 3kqz h ARG 205 Cb 0.37 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 3kqz h ARG 205 CO 0.03 1.18 -0.25 0.28 -1.07 0.00 0.00 179.97 180.14 3kqz h VAL 206 N 0.09 0.36 -0.41 2.04 2.07 -1.01 -1.03 116.25 118.36 3kqz h VAL 206 Ca -0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3kqz h VAL 206 Cb 1.44 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3kqz h VAL 206 CO 0.15 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.48 3kqz h VAL 207 N -0.22 1.20 -0.94 2.57 2.07 -1.23 0.84 116.25 120.53 3kqz h VAL 207 Ca 0.16 -0.62 0.12 0.00 0.82 0.00 0.00 66.70 67.18 3kqz h VAL 207 Cb 0.47 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.00 3kqz h VAL 207 CO -0.44 0.22 0.57 -0.07 0.02 0.00 0.00 177.57 177.88 3kqz h LEU 208 N 0.51 0.81 -0.55 2.57 4.07 -1.10 0.64 115.31 122.27 3kqz h LEU 208 Ca 0.13 0.06 -0.15 0.00 0.08 0.00 0.00 57.88 58.00 3kqz h LEU 208 Cb 0.20 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.83 3kqz h LEU 208 CO -0.01 0.42 -0.50 0.28 -1.08 0.00 0.00 178.44 177.55 3kqz h SER 209 N 0.89 0.64 -0.53 -0.43 0.02 -0.38 -2.48 113.55 111.28 3kqz h SER 209 Ca 0.48 -0.32 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3kqz h SER 209 Cb 0.51 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3kqz h SER 209 CO -0.28 1.03 0.09 0.25 -1.14 0.00 0.00 176.83 176.77 3kqz h LEU 210 N 0.46 0.84 -1.14 5.07 5.85 0.48 -2.76 115.31 124.10 3kqz h LEU 210 Ca 0.02 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 3kqz h LEU 210 Cb 1.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3kqz h LEU 210 CO 0.10 0.89 0.23 0.58 -0.34 0.00 0.00 178.44 179.90 3kqz h VAL 211 N 0.76 1.21 0.00 1.05 2.07 0.30 -1.07 116.25 120.57 3kqz h VAL 211 Ca 0.16 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3kqz h VAL 211 Cb 0.40 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 3kqz h VAL 211 CO 0.01 0.25 -0.15 0.71 0.02 0.00 0.00 177.57 178.42 3kqz h THR 212 N 0.83 0.84 0.00 2.57 1.35 -1.17 0.21 112.91 117.54 3kqz h THR 212 Ca 0.20 -0.56 -0.11 0.00 -0.55 0.00 0.00 66.41 65.39 3kqz h THR 212 Cb 0.16 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 3kqz h THR 212 CO -0.02 0.15 -0.52 0.24 -0.25 0.00 0.00 175.52 175.12 3kqz h MET 213 N 0.00 0.00 0.04 4.72 2.07 -0.96 -3.26 114.93 117.54 3kqz h MET 213 Ca -0.00 0.00 -0.29 0.00 -2.07 0.00 0.00 59.70 57.34 3kqz h MET 213 Cb 0.32 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.01 3kqz h MET 213 CO 0.02 0.52 -1.58 -0.07 1.07 0.00 0.00 176.91 176.86 3kqz h LEU 214 N 0.00 0.13-10.09 1.22 3.38 -0.82 -3.41 115.31 105.72 3kqz h LEU 214 Ca -0.01 -0.22 -0.49 0.00 0.09 0.00 0.00 57.88 57.25 3kqz h LEU 214 Cb 1.00 -0.04 0.06 0.00 0.09 0.00 0.00 40.66 41.76 3kqz h LEU 214 CO 0.07 1.19 0.41 -1.00 0.09 0.00 0.00 178.44 179.20 3kqz s HIS 215 N -2.62 2.79 -1.18 1.13 3.76 -0.21 -3.42 115.29 115.54 3kqz s HIS 215 Ca -0.07 1.55 0.00 0.00 -0.15 0.00 0.00 55.06 56.40 3kqz s HIS 215 Cb 0.08 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.56 3kqz s HIS 215 CO 0.82 -1.32 0.00 -0.25 -0.85 0.00 0.00 174.74 173.15 3kqz n ASP 216 N -1.23 -5.12 -4.47 1.40 9.92 -1.26 -4.90 116.55 110.88 3kqz n ASP 216 Ca 0.11 0.28 -0.23 0.00 -0.53 0.00 0.00 54.79 54.42 3kqz n ASP 216 Cb 0.52 -3.60 -0.11 0.00 -0.64 0.00 0.00 41.12 37.29 3kqz n ASP 216 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 3kqz s ASN 217 N -2.55 2.87 -0.26 -2.24 3.84 -1.22 -5.12 114.94 110.25 3kqz s ASN 217 Ca 0.00 -1.27 -0.01 0.00 0.21 0.00 0.00 52.86 51.78 3kqz s ASN 217 Cb 0.00 -0.19 0.08 0.00 -0.55 0.00 0.00 41.25 40.59 3kqz s ASN 217 CO 0.00 -0.43 0.06 -1.59 -2.79 0.00 0.00 177.10 172.35 3kqz s LYS 218 N -3.77 0.81 0.02 0.43 0.00 -1.26 -4.82 119.74 111.16 3kqz s LYS 218 Ca 0.33 -0.84 0.06 0.00 0.00 0.00 0.00 55.97 55.52 3kqz s LYS 218 Cb 0.06 -2.11 -0.02 0.00 0.00 0.00 0.00 37.83 35.76 3kqz s LYS 218 CO 0.14 -0.81 -0.18 -0.51 0.00 0.00 0.00 175.35 173.99 3kqz s LEU 219 N 1.67 2.11 -0.05 2.77 1.43 -1.26 -5.05 118.68 120.30 3kqz s LEU 219 Ca 0.04 -0.41 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 3kqz s LEU 219 Cb -0.17 -0.86 -0.24 0.00 0.03 0.00 0.00 46.19 44.95 3kqz s LEU 219 CO -0.17 0.16 0.65 0.77 0.23 0.00 0.00 176.35 177.99 3kqz h SER 220 N 5.27 0.07 -3.60 2.29 4.64 -1.95 -3.26 113.55 117.02 3kqz h SER 220 Ca -0.39 -0.15 -0.45 0.00 -0.47 0.00 0.00 61.79 60.33 3kqz h SER 220 Cb 1.16 -0.02 -0.32 0.00 -0.31 0.00 0.00 62.40 62.90 3kqz h SER 220 CO 0.46 1.14 -0.79 -0.75 -0.87 0.00 0.00 176.83 176.01 3kqz s LYS 221 N -2.60 1.15 -0.07 4.77 2.20 -1.26 0.60 119.74 124.53 3kqz s LYS 221 Ca -0.07 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 3kqz s LYS 221 Cb 0.08 -1.04 -0.03 0.00 -1.51 0.00 0.00 37.83 35.33 3kqz s LYS 221 CO 0.82 0.03 -0.07 -1.17 -0.36 0.00 0.00 175.35 174.61 3kqz s LEU 222 N 0.54 3.19 -0.03 5.43 2.96 -0.70 -0.93 118.68 129.13 3kqz s LEU 222 Ca -0.09 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 3kqz s LEU 222 Cb -0.13 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 3kqz s LEU 222 CO 0.01 0.36 -0.16 0.28 -1.32 0.00 0.00 176.35 175.52 3kqz s THR 223 N -0.82 1.35 -0.14 3.68 -1.32 0.94 -0.97 115.64 118.36 3kqz s THR 223 Ca 0.13 -0.69 0.02 0.00 -1.21 0.00 0.00 61.69 59.93 3kqz s THR 223 Cb -0.11 -1.15 0.00 0.00 -1.51 0.00 0.00 72.50 69.74 3kqz s THR 223 CO 0.02 0.39 -0.19 -0.69 -2.21 0.00 0.00 174.62 171.94 3kqz s VAL 224 N -0.13 2.40 -0.28 5.08 1.01 0.17 -0.74 120.40 127.92 3kqz s VAL 224 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 3kqz s VAL 224 Cb -0.09 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 3kqz s VAL 224 CO 0.01 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.04 3kqz s VAL 225 N 0.69 4.18 -0.48 2.92 1.01 0.14 -0.91 120.40 127.95 3kqz s VAL 225 Ca -0.09 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3kqz s VAL 225 Cb -0.16 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3kqz s VAL 225 CO 0.01 0.20 0.92 -0.36 0.00 0.00 0.00 175.10 175.87 3kqz s PHE 226 N 1.56 2.90 -0.28 5.22 0.40 -0.24 0.12 117.98 127.66 3kqz s PHE 226 Ca 0.05 0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.78 3kqz s PHE 226 Cb -0.16 -3.97 0.50 0.00 0.51 0.00 0.00 43.02 39.89 3kqz s PHE 226 CO 0.03 -1.14 1.43 0.39 0.70 0.00 0.00 175.22 176.64 3kqz n GLU 227 N 7.20 1.82 -4.30 0.44 1.02 -0.06 -4.69 120.64 122.07 3kqz n GLU 227 Ca 0.05 -3.20 -0.16 0.00 -0.02 0.00 0.00 57.16 53.83 3kqz n GLU 227 Cb 0.48 -1.79 -0.10 0.00 -0.02 0.00 0.00 31.44 30.01 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 -3.24 1.44 -0.20 -3.67 -4.36 -1.24 -4.43 121.20 105.50 3kqz s ILE 228 Ca 0.44 -2.13 -0.19 0.00 -0.26 0.00 0.00 60.65 58.50 3kqz s ILE 228 Cb 0.40 -1.97 -0.03 0.00 1.25 0.00 0.00 42.46 42.11 3kqz s ILE 228 CO -0.01 -0.65 0.55 0.21 0.24 0.00 0.00 174.94 175.27 3kqz s ASN 229 N -3.25 6.60 -0.02 4.36 3.04 -1.26 -4.99 114.94 119.42 3kqz s ASN 229 Ca 0.20 0.72 0.02 0.00 0.04 0.00 0.00 52.86 53.84 3kqz s ASN 229 Cb 0.01 -2.31 0.01 0.00 -1.54 0.00 0.00 41.25 37.42 3kqz s ASN 229 CO 0.04 -0.20 -0.05 0.68 -3.04 0.00 0.00 177.10 174.52 3kqz s VAL 230 N 1.69 0.51 1.00 -5.21 -7.23 -1.26 -4.77 120.40 105.12 3kqz s VAL 230 Ca 0.25 -0.20 -0.15 0.00 -1.81 0.00 0.00 61.98 60.08 3kqz s VAL 230 Cb -0.16 -0.48 0.19 0.00 0.56 0.00 0.00 36.38 36.50 3kqz s VAL 230 CO 0.10 0.18 1.18 1.51 -0.31 0.00 0.00 175.10 177.76 3kqz s ASP 231 N 0.32 2.77 0.25 4.85 3.84 -1.26 -4.78 116.67 122.66 3kqz s ASP 231 Ca -0.04 0.69 -0.05 0.00 -0.00 0.00 0.00 52.55 53.15 3kqz s ASP 231 Cb -0.08 -1.03 0.33 0.00 -1.38 0.00 0.00 42.92 40.76 3kqz s ASP 231 CO -0.00 -2.98 1.89 0.11 -0.00 0.00 0.00 175.17 174.18 3kqz h LYS 232 N -1.80 1.12 -0.33 2.11 1.57 -1.99 -0.90 116.57 116.35 3kqz h LYS 232 Ca -0.47 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.14 3kqz h LYS 232 Cb 1.30 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 3kqz h LYS 232 CO 0.49 0.74 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.98 3kqz h ASN 233 N 1.16 0.63 0.22 0.86 2.35 -1.93 -1.32 115.58 117.55 3kqz h ASN 233 Ca 0.39 -0.21 -0.18 0.00 -0.55 0.00 0.00 56.30 55.75 3kqz h ASN 233 Cb 0.06 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3kqz h ASN 233 CO -0.14 0.84 -0.68 0.25 -1.65 0.00 0.00 177.43 176.05 3kqz h LEU 234 N 0.55 0.49 0.36 1.61 5.85 -1.71 0.18 115.31 122.65 3kqz h LEU 234 Ca 0.08 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3kqz h LEU 234 Cb 0.68 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3kqz h LEU 234 CO 0.05 1.03 -0.18 0.15 -0.34 0.00 0.00 178.44 179.15 3kqz h PHE 235 N 0.30 -0.45 -0.56 1.25 3.57 -1.00 0.13 116.94 120.17 3kqz h PHE 235 Ca -0.02 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.53 3kqz h PHE 235 Cb 1.24 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 40.08 3kqz h PHE 235 CO 0.04 -0.24 0.27 -0.09 -2.23 0.00 0.00 178.31 176.07 3kqz h ARG 236 N -0.56 0.50 -0.61 1.11 2.43 -1.16 -1.16 114.38 114.93 3kqz h ARG 236 Ca -0.05 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3kqz h ARG 236 Cb 0.42 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 3kqz h ARG 236 CO 0.08 0.33 0.38 0.35 -1.51 0.00 0.00 179.97 179.60 3kqz h PHE 237 N 0.52 0.71 -0.63 2.20 3.57 -0.75 0.65 116.94 123.21 3kqz h PHE 237 Ca 0.26 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.91 3kqz h PHE 237 Cb 0.20 -0.23 -0.12 0.00 2.79 0.00 0.00 35.95 38.59 3kqz h PHE 237 CO -0.11 0.42 -0.12 0.35 -2.23 0.00 0.00 178.31 176.62 3kqz h PHE 238 N 0.76 -0.26 0.46 0.41 3.57 0.44 0.80 116.94 123.11 3kqz h PHE 238 Ca 0.24 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 3kqz h PHE 238 Cb -0.00 0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3kqz h PHE 238 CO -0.05 -0.25 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.49 3kqz h LEU 239 N 0.03 -0.52 -0.54 0.59 4.07 -0.56 0.87 115.31 119.25 3kqz h LEU 239 Ca 0.31 -0.05 0.11 0.00 0.08 0.00 0.00 57.88 58.33 3kqz h LEU 239 Cb 0.49 0.13 -0.09 0.00 1.08 0.00 0.00 40.66 42.27 3kqz h LEU 239 CO -0.62 -0.27 -0.04 -0.33 -1.08 0.00 0.00 178.44 176.10 3kqz h GLU 240 N -0.76 0.08 -0.25 1.13 5.08 -0.73 0.51 114.58 119.64 3kqz h GLU 240 Ca -0.06 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3kqz h GLU 240 Cb 0.54 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3kqz h GLU 240 CO 0.10 0.05 0.03 1.15 -1.00 0.00 0.00 179.01 179.35 3kqz h THR 241 N 0.08 1.23 -0.30 1.13 2.02 -0.76 0.19 112.91 116.50 3kqz h THR 241 Ca 0.27 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.70 3kqz h THR 241 Cb 0.42 1.27 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 3kqz h THR 241 CO -0.48 0.25 0.03 0.25 0.37 0.00 0.00 175.52 175.94 3kqz h LEU 242 N 0.23 -0.06 -0.30 2.58 5.85 -0.56 0.15 115.31 123.19 3kqz h LEU 242 Ca 0.08 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3kqz h LEU 242 Cb 0.34 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3kqz h LEU 242 CO 0.01 0.00 0.18 -0.26 -0.34 0.00 0.00 178.44 178.03 3kqz h PHE 243 N 0.12 0.40 -0.30 1.25 0.04 -0.35 -0.14 116.94 117.97 3kqz h PHE 243 Ca 0.14 -0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 3kqz h PHE 243 Cb 0.18 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 3kqz h PHE 243 CO -0.20 0.30 -0.08 -0.92 -0.60 0.00 0.00 178.31 176.82 3kqz h TYR 244 N 0.38 0.65 0.00 -0.55 3.20 -0.33 -1.58 116.97 118.74 3kqz h TYR 244 Ca 0.11 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 3kqz h TYR 244 Cb 0.02 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3kqz h TYR 244 CO -0.04 0.77 -0.00 0.93 -1.64 0.00 0.00 178.16 178.18 3kqz h GLU 245 N 0.34 0.00 0.01 1.82 4.39 -0.62 -3.24 114.58 117.28 3kqz h GLU 245 Ca 0.07 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 3kqz h GLU 245 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3kqz h GLU 245 CO 0.03 0.00 -0.10 -0.92 -1.16 0.00 0.00 179.01 176.86 3kqz h TYR 246 N 0.00 0.08 -2.72 4.33 3.20 -0.87 -3.46 116.97 117.53 3kqz h TYR 246 Ca -0.00 -0.05 -0.58 0.00 3.14 0.00 0.00 58.73 61.23 3kqz h TYR 246 Cb 0.74 -0.01 0.09 0.00 1.54 0.00 0.00 36.73 39.09 3kqz h TYR 246 CO 0.00 0.95 0.57 -0.12 -1.64 0.00 0.00 178.16 177.92 3kqz n MET 247 N -4.59 1.99 -4.92 1.82 1.56 -0.61 -4.99 117.12 107.39 3kqz n MET 247 Ca -0.10 0.71 -0.32 0.00 -0.27 0.00 0.00 57.70 57.71 3kqz n MET 247 Cb 0.48 -2.34 -0.17 0.00 2.15 0.00 0.00 33.22 33.35 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 -0.23 2.05 -0.56 1.12 2.01 -1.26 -4.96 115.64 113.81 3kqz s THR 248 Ca 0.66 -0.99 -0.24 0.00 0.31 0.00 0.00 61.69 61.43 3kqz s THR 248 Cb -0.65 -1.80 0.04 0.00 0.01 0.00 0.00 72.50 70.11 3kqz s THR 248 CO 0.52 0.55 0.96 -0.62 -0.69 0.00 0.00 174.62 175.34 3kqz s ASP 249 N 0.60 6.33 -0.08 3.53 -1.08 -1.26 -4.87 116.67 119.84 3kqz s ASP 249 Ca -0.12 -0.37 0.13 0.00 -0.52 0.00 0.00 52.55 51.67 3kqz s ASP 249 Cb -0.17 -2.44 0.38 0.00 -1.46 0.00 0.00 42.92 39.24 3kqz s ASP 249 CO 0.03 -1.26 1.31 -0.62 0.52 0.00 0.00 175.17 175.15 3kqz n GLU 250 N 7.54 2.83 0.24 4.34 1.02 -1.26 -4.72 120.64 130.63 3kqz n GLU 250 Ca 0.02 -2.39 0.12 0.00 -0.02 0.00 0.00 57.16 54.89 3kqz n GLU 250 Cb 0.47 -1.51 0.74 0.00 -0.02 0.00 0.00 31.44 31.12 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 1.70 0.00 -0.33 3.49 3.08 -1.97 -2.05 114.38 118.30 3kqz h ARG 251 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqz h ARG 251 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3kqz h ARG 251 CO 0.10 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.19 3kqz n PHE 252 N -4.27 0.44 -2.94 3.04 3.01 -1.26 -4.92 117.46 110.55 3kqz n PHE 252 Ca -0.01 -0.36 -0.40 0.00 1.01 0.00 0.00 57.45 57.69 3kqz n PHE 252 Cb 0.16 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.55 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 -1.06 4.62 0.00 -1.08 -0.14 -0.77 -4.97 119.74 116.34 3kqz s LYS 253 Ca 0.27 1.22 0.00 0.00 -1.36 0.00 0.00 55.97 56.10 3kqz s LYS 253 Cb 0.15 -3.27 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 3kqz s LYS 253 CO 0.20 0.55 0.00 0.45 -0.76 0.00 0.00 175.35 175.79 3kqz n SER 254 N 1.62 0.00 -0.01 2.83 2.88 -1.26 -4.75 113.62 114.94 3kqz n SER 254 Ca -0.05 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.65 3kqz n SER 254 Cb 0.48 0.00 0.90 0.00 -0.75 0.00 0.00 64.21 64.84 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 -1.23 0.00 -2.17 2.46 -2.24 -1.26 -3.99 114.28 105.84 3kqz n THR 255 Ca 0.00 -0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 3kqz n THR 255 Cb 0.00 -0.48 0.07 0.00 -2.10 0.00 0.00 70.33 67.82 3kqz n THR 255 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqz n ASP 256 N -1.04 1.13 -4.66 3.42 2.03 -1.26 -5.07 116.55 111.09 3kqz n ASP 256 Ca 0.22 -2.51 -0.37 0.00 0.52 0.00 0.00 54.79 52.65 3kqz n ASP 256 Cb 0.14 -0.35 0.06 0.00 -0.72 0.00 0.00 41.12 40.25 3kqz n ASP 256 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kqz n LYS 257 N -0.02 0.95 0.00 -0.67 5.02 -1.26 -4.99 118.16 117.19 3kqz n LYS 257 Ca 0.09 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.75 3kqz n LYS 257 Cb 0.97 -2.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3kqz n LYS 257 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3kqz n ASN 258 N -1.24 0.00 -3.90 4.39 2.85 -1.26 -5.07 115.26 111.03 3kqz n ASN 258 Ca 0.15 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.51 3kqz n ASN 258 Cb 0.48 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.38 3kqz n ASN 258 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3kqz s GLU 262 N 0.62 0.29 -0.05 1.20 2.02 -1.26 -5.24 118.70 116.28 3kqz s GLU 262 Ca 0.00 -0.31 0.06 0.00 0.02 0.00 0.00 54.97 54.74 3kqz s GLU 262 Cb 0.00 0.12 -0.02 0.00 0.10 0.00 0.00 34.13 34.33 3kqz s GLU 262 CO 0.00 -0.06 -0.21 0.71 0.02 0.00 0.00 175.26 175.72 3kqz s TYR 263 N -0.94 2.51 0.51 1.61 2.02 -1.26 -4.93 117.35 116.86 3kqz s TYR 263 Ca -0.10 -0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 55.96 3kqz s TYR 263 Cb -0.06 -1.59 -0.10 0.00 -0.40 0.00 0.00 41.96 39.81 3kqz s TYR 263 CO 0.00 -0.02 0.63 0.44 -1.57 0.00 0.00 175.55 175.03 3kqz n ILE 264 N 2.60 2.23 0.17 2.71 -5.35 -1.23 -4.87 119.36 115.61 3kqz n ILE 264 Ca -0.17 -0.50 0.09 0.00 -0.27 0.00 0.00 62.75 61.90 3kqz n ILE 264 Cb 0.52 -0.74 -0.14 0.00 -1.74 0.00 0.00 39.64 37.54 3kqz n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kqz n LYS 265 N 0.11 0.66 -4.37 6.28 4.76 0.20 -4.67 118.16 121.13 3kqz n LYS 265 Ca 0.11 -0.13 -0.19 0.00 -2.87 0.00 0.00 58.31 55.22 3kqz n LYS 265 Cb 0.44 -1.42 -0.14 0.00 -1.84 0.00 0.00 35.03 32.07 3kqz n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kqz s HIS 266 N -3.17 1.11 -0.13 2.13 3.76 -0.72 -0.49 115.29 117.77 3kqz s HIS 266 Ca -0.04 -0.31 -0.02 0.00 -0.15 0.00 0.00 55.06 54.54 3kqz s HIS 266 Cb 0.12 -0.67 0.04 0.00 1.11 0.00 0.00 32.58 33.18 3kqz s HIS 266 CO 0.77 0.01 -0.01 -1.17 -0.85 0.00 0.00 174.74 173.49 3kqz s LEU 267 N -0.90 1.05 -0.13 0.89 2.96 0.64 -1.72 118.68 121.47 3kqz s LEU 267 Ca 0.01 -0.46 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3kqz s LEU 267 Cb -0.07 -0.63 -0.04 0.00 0.50 0.00 0.00 46.19 45.95 3kqz s LEU 267 CO 0.01 -0.22 0.10 -0.83 -1.32 0.00 0.00 176.35 174.09 3kqz s GLY 268 N 1.84 2.05 -0.06 7.98 0.00 -0.14 -1.34 107.32 117.64 3kqz s GLY 268 Ca 0.02 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3kqz s GLY 268 CO -0.07 -0.33 -0.14 0.14 0.00 0.00 0.00 173.10 172.70 3kqz s VAL 269 N -0.72 1.27 -0.12 1.40 1.01 -0.26 0.42 120.40 123.41 3kqz s VAL 269 Ca 0.13 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3kqz s VAL 269 Cb -0.12 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3kqz s VAL 269 CO 0.03 0.38 -0.21 -0.31 0.00 0.00 0.00 175.10 174.99 3kqz s TYR 270 N 0.44 2.66 0.08 5.22 1.51 -0.09 -0.27 117.35 126.90 3kqz s TYR 270 Ca -0.11 -1.08 -0.20 0.00 -1.01 0.00 0.00 57.07 54.67 3kqz s TYR 270 Cb -0.14 -1.78 0.05 0.00 -0.11 0.00 0.00 41.96 39.97 3kqz s TYR 270 CO 0.04 -0.45 0.47 -1.50 -1.11 0.00 0.00 175.55 172.99 3kqz s ILE 271 N 0.54 0.04 0.16 2.71 2.07 -0.62 -1.08 121.20 125.02 3kqz s ILE 271 Ca -0.13 -0.36 -0.31 0.00 -1.41 0.00 0.00 60.65 58.44 3kqz s ILE 271 Cb -0.17 -1.03 -0.09 0.00 0.13 0.00 0.00 42.46 41.31 3kqz s ILE 271 CO 0.04 -0.20 1.39 0.20 -1.91 0.00 0.00 174.94 174.46 3kqz s ASN 272 N -2.31 6.80 -1.12 4.50 -0.87 -1.26 -0.91 114.94 119.77 3kqz s ASN 272 Ca -0.02 2.42 -0.01 0.00 -1.57 0.00 0.00 52.86 53.68 3kqz s ASN 272 Cb 0.00 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.63 3kqz s ASN 272 CO -0.06 -0.64 0.93 0.59 -2.57 0.00 0.00 177.10 175.35 3kqz n ASN 273 N 3.39 -2.45 -0.20 -1.22 3.02 -1.26 -4.91 115.26 111.64 3kqz n ASN 273 Ca 0.10 -0.59 0.01 0.00 -0.03 0.00 0.00 54.58 54.06 3kqz n ASN 273 Cb 0.42 -4.86 0.11 0.00 -0.61 0.00 0.00 39.78 34.83 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 0.76 0.67 -1.18 5.41 0.00 -1.83 -1.83 119.26 121.26 3kqz h ALA 274 Ca -0.56 0.15 0.34 0.00 0.00 0.00 0.00 54.91 54.84 3kqz h ALA 274 Cb 1.32 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 19.28 3kqz h ALA 274 CO 0.46 -0.34 0.83 -0.44 0.00 0.00 0.00 179.25 179.76 3kqz h ASP 275 N 0.20 0.09 1.89 0.00 3.32 -1.92 0.56 116.42 120.56 3kqz h ASP 275 Ca 0.32 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 3kqz h ASP 275 Cb 0.49 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3kqz h ASP 275 CO -0.45 0.01 -0.05 0.00 -1.72 0.00 0.00 179.24 177.03 3kqz h THR 276 N 0.08 0.09 0.00 0.35 1.03 -1.70 -3.24 112.91 109.51 3kqz h THR 276 Ca 0.58 -1.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3kqz h THR 276 Cb 2.16 2.01 0.00 0.00 -1.07 0.00 0.00 68.15 71.25 3kqz h THR 276 CO -0.07 0.05 -1.49 -1.22 -0.01 0.00 0.00 175.52 172.78 3kqz n TYR 277 N -3.11 0.08 -0.31 0.00 4.01 0.19 -4.47 117.16 113.54 3kqz n TYR 277 Ca 0.04 0.02 0.10 0.00 -0.16 0.00 0.00 57.90 57.90 3kqz n TYR 277 Cb 0.54 -0.34 0.32 0.00 -0.31 0.00 0.00 39.34 39.54 3kqz n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kqz h LYS 278 N 0.00 0.80 -0.01 -0.72 1.57 -1.38 -1.05 116.57 115.78 3kqz h LYS 278 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3kqz h LYS 278 Cb 0.79 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kqz h LYS 278 CO 0.00 0.53 -0.02 0.93 -0.57 0.00 0.00 179.45 180.32 3kqz h GLU 279 N 0.83 0.01 0.00 3.15 5.08 -1.78 -2.72 114.58 119.15 3kqz h GLU 279 Ca 0.47 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.81 3kqz h GLU 279 Cb 0.62 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 3kqz h GLU 279 CO -0.24 0.04 -0.11 0.93 -1.00 0.00 0.00 179.01 178.63 3kqz h GLU 280 N 0.01 0.00 0.19 2.33 4.39 -1.48 -3.28 114.58 116.74 3kqz h GLU 280 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kqz h GLU 280 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3kqz h GLU 280 CO 0.00 0.11 -0.09 0.28 -1.16 0.00 0.00 179.01 178.15 3kqz h VAL 281 N 0.00 0.90 0.00 3.13 2.07 -1.58 0.26 116.25 121.03 3kqz h VAL 281 Ca -0.00 -0.48 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 3kqz h VAL 281 Cb 0.47 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3kqz h VAL 281 CO 0.01 0.11 -0.42 -0.33 0.02 0.00 0.00 177.57 176.97 3kqz h GLU 282 N -0.49 0.00 0.26 1.57 4.39 -1.77 -0.59 114.58 117.95 3kqz h GLU 282 Ca -0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 3kqz h GLU 282 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3kqz h GLU 282 CO 0.04 0.42 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.91 3kqz h LYS 283 N 0.00 -0.42 -0.95 2.33 3.64 -1.61 -1.49 116.57 118.07 3kqz h LYS 283 Ca -0.00 0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.57 3kqz h LYS 283 Cb 1.26 0.10 -0.10 0.00 -0.41 0.00 0.00 32.23 33.07 3kqz h LYS 283 CO 0.05 -0.28 0.55 0.00 -2.27 0.00 0.00 179.45 177.51 3kqz h ALA 284 N 0.28 1.52 -0.26 5.00 0.00 -0.12 0.32 119.26 126.01 3kqz h ALA 284 Ca -0.02 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3kqz h ALA 284 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3kqz h ALA 284 CO 0.01 -0.03 -0.40 -0.09 0.00 0.00 0.00 179.25 178.74 3kqz h ARG 285 N 0.74 0.61 -0.01 0.00 2.43 -0.80 0.41 114.38 117.76 3kqz h ARG 285 Ca 0.53 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3kqz h ARG 285 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3kqz h ARG 285 CO -0.36 0.90 -0.03 0.28 -1.51 0.00 0.00 179.97 179.25 3kqz h VAL 286 N 0.50 1.48 -0.89 0.20 2.07 -0.15 -2.53 116.25 116.93 3kqz h VAL 286 Ca 0.04 -1.46 0.11 0.00 0.82 0.00 0.00 66.70 66.21 3kqz h VAL 286 Cb 0.90 2.45 -0.08 0.00 -1.52 0.00 0.00 31.29 33.04 3kqz h VAL 286 CO 0.08 0.39 0.52 1.88 0.02 0.00 0.00 177.57 180.46 3kqz h TYR 287 N -0.56 0.95 -0.65 1.57 -1.99 -0.32 0.11 116.97 116.07 3kqz h TYR 287 Ca -0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 3kqz h TYR 287 Cb 0.64 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 39.05 3kqz h TYR 287 CO 0.14 0.36 0.42 -0.92 -0.00 0.00 0.00 178.16 178.16 3kqz h TYR 288 N 0.84 0.82 -0.04 4.88 3.20 -0.17 -1.39 116.97 125.11 3kqz h TYR 288 Ca 0.44 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 62.11 3kqz h TYR 288 Cb 0.45 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.45 3kqz h TYR 288 CO -0.04 0.53 -0.87 0.35 -1.64 0.00 0.00 178.16 176.48 3kqz h PHE 289 N 0.88 0.66 -0.60 -3.82 3.57 -0.75 0.24 116.94 117.11 3kqz h PHE 289 Ca 0.24 -0.33 0.06 0.00 3.53 0.00 0.00 57.97 61.47 3kqz h PHE 289 Cb -0.08 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.51 3kqz h PHE 289 CO -0.03 1.14 0.30 0.78 -2.23 0.00 0.00 178.31 178.27 3kqz h GLY 290 N 1.14 0.86 1.81 2.40 0.00 -0.46 1.17 103.07 109.99 3kqz h GLY 290 Ca -0.07 -0.19 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 3kqz h GLY 290 CO 0.15 0.09 -0.87 0.00 0.00 0.00 0.00 176.54 175.92 3kqz h THR 291 N 0.55 1.50 -0.46 4.70 1.03 -1.07 0.79 112.91 119.95 3kqz h THR 291 Ca 0.28 -2.64 -0.10 0.00 -0.01 0.00 0.00 66.41 63.94 3kqz h THR 291 Cb 0.23 2.47 -0.02 0.00 -1.07 0.00 0.00 68.15 69.76 3kqz h THR 291 CO -0.21 0.77 -0.13 0.22 -0.01 0.00 0.00 175.52 176.16 3kqz h TYR 292 N 0.10 0.95 0.02 0.00 3.20 0.30 0.19 116.97 121.73 3kqz h TYR 292 Ca -0.04 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 61.64 3kqz h TYR 292 Cb 1.50 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3kqz h TYR 292 CO 0.03 0.93 -0.01 -0.92 -1.64 0.00 0.00 178.16 176.54 3kqz h TYR 293 N 0.76 -0.03 -0.64 -3.82 3.20 0.17 0.77 116.97 117.39 3kqz h TYR 293 Ca 0.12 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.10 3kqz h TYR 293 Cb 0.64 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.84 3kqz h TYR 293 CO 0.04 0.08 0.21 0.00 -1.64 0.00 0.00 178.16 176.85 3kqz h ALA 294 N 0.84 0.83 -0.34 1.82 0.00 -0.58 -1.52 119.26 120.31 3kqz h ALA 294 Ca -0.00 0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 294 Cb 0.12 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kqz h ALA 294 CO 0.01 -0.23 -0.09 1.03 0.00 0.00 0.00 179.25 179.97 3kqz h SER 295 N 0.37 0.55 -0.63 0.00 0.87 -0.25 -1.33 113.55 113.13 3kqz h SER 295 Ca 0.34 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 3kqz h SER 295 Cb 0.47 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 3kqz h SER 295 CO -0.36 0.69 0.11 1.56 -0.53 0.00 0.00 176.83 178.30 3kqz h GLN 296 N 0.53 1.06 -0.20 2.24 4.20 0.17 -1.57 115.11 121.55 3kqz h GLN 296 Ca 0.10 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 3kqz h GLN 296 Cb 0.48 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 3kqz h GLN 296 CO 0.03 0.97 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.78 3kqz h LEU 297 N 1.00 0.60 0.56 1.46 3.38 -1.11 -2.10 115.31 119.11 3kqz h LEU 297 Ca 0.20 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3kqz h LEU 297 Cb 0.42 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kqz h LEU 297 CO 0.01 1.01 -0.27 0.40 0.09 0.00 0.00 178.44 179.68 3kqz h ILE 298 N 0.22 0.42 -0.04 1.22 2.04 -1.20 -3.01 117.51 117.15 3kqz h ILE 298 Ca 0.02 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3kqz h ILE 298 Cb 0.88 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3kqz h ILE 298 CO 0.07 0.02 0.03 0.00 0.00 0.00 0.00 178.15 178.28 3kqz h ALA 299 N -0.47 1.77 -2.26 1.87 0.00 -1.39 -3.41 119.26 115.38 3kqz h ALA 299 Ca -0.08 -0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.26 3kqz h ALA 299 Cb 0.62 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.44 3kqz h ALA 299 CO 0.13 -0.05 1.04 0.00 0.00 0.00 0.00 179.25 180.36 3kqz n ALA 300 N -2.42 1.46 -1.14 0.00 0.00 -0.79 -4.91 120.51 112.71 3kqz n ALA 300 Ca -0.02 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 3kqz n ALA 300 Cb 0.13 -2.51 0.13 0.00 0.00 0.00 0.00 19.45 17.20 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 2.90 1.54 0.56 0.00 0.02 -1.26 -4.52 135.00 134.23 3kqz s PRO 301 Ca 0.86 1.05 0.27 0.00 0.02 0.00 0.00 61.00 63.19 3kqz s PRO 301 Cb -0.60 -1.82 1.48 0.00 0.02 0.00 0.00 34.50 33.58 3kqz s PRO 301 CO 0.43 -2.11 2.01 0.77 -0.33 0.00 0.00 177.00 177.77 3kqz h SER 302 N -1.46 0.00 0.91 2.53 0.02 -1.80 0.25 113.55 114.00 3kqz h SER 302 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3kqz h SER 302 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3kqz h SER 302 CO 0.52 0.00 0.00 -0.46 -1.14 0.00 0.00 176.83 175.75 3kqz n ASN 303 N -4.08 0.38 -0.13 3.07 6.94 -1.26 -3.67 115.26 116.51 3kqz n ASN 303 Ca 0.07 0.56 -0.23 0.00 -0.02 0.00 0.00 54.58 54.96 3kqz n ASN 303 Cb 0.53 -0.66 -0.10 0.00 -2.36 0.00 0.00 39.78 37.19 3kqz n ASN 303 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3kqz n TYR 304 N -1.89 0.00 -3.46 -2.53 4.01 0.64 -4.25 117.16 109.68 3kqz n TYR 304 Ca 0.04 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.35 3kqz n TYR 304 Cb 0.29 -0.93 -0.08 0.00 -0.31 0.00 0.00 39.34 38.31 3kqz n TYR 304 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz s ASN 306 N 2.70 2.09 0.52 0.00 2.20 -1.26 -4.35 114.94 116.83 3kqz s ASN 306 Ca 0.04 -1.68 0.18 0.00 -0.94 0.00 0.00 52.86 50.45 3kqz s ASN 306 Cb -0.25 0.51 1.29 0.00 -2.00 0.00 0.00 41.25 40.79 3kqz s ASN 306 CO 0.03 -0.97 2.12 -0.65 -2.94 0.00 0.00 177.10 174.70 3kqz h PRO 307 N 2.01 0.00 0.02 3.55 0.11 -1.88 0.10 132.00 135.91 3kqz h PRO 307 Ca -0.31 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.75 3kqz h PRO 307 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kqz h PRO 307 CO 0.48 0.00 -0.22 0.28 -0.21 0.00 0.00 178.00 178.33 3kqz h VAL 308 N 0.00 1.68 -0.18 3.15 2.07 -1.95 -2.52 116.25 118.50 3kqz h VAL 308 Ca 0.04 -2.36 -0.04 0.00 0.82 0.00 0.00 66.70 65.16 3kqz h VAL 308 Cb 0.17 3.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.20 3kqz h VAL 308 CO -0.00 0.60 -0.07 0.77 0.02 0.00 0.00 177.57 178.89 3kqz h SER 309 N -0.92 0.26 0.00 0.57 4.64 -1.75 0.94 113.55 117.30 3kqz h SER 309 Ca -0.05 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 60.97 3kqz h SER 309 Cb 1.11 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3kqz h SER 309 CO 0.00 0.37 -0.99 0.25 -0.87 0.00 0.00 176.83 175.59 3kqz h LEU 310 N 0.27 0.87 -0.73 5.97 5.85 -0.89 -0.42 115.31 126.23 3kqz h LEU 310 Ca 0.06 -0.74 -0.14 0.00 0.84 0.00 0.00 57.88 57.90 3kqz h LEU 310 Cb 0.30 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3kqz h LEU 310 CO 0.01 1.50 -0.57 0.77 -0.34 0.00 0.00 178.44 179.82 3kqz h SER 311 N 0.33 0.23 -0.82 1.25 4.64 -1.17 -1.45 113.55 116.56 3kqz h SER 311 Ca -0.13 -0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3kqz h SER 311 Cb 1.66 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.64 3kqz h SER 311 CO 0.20 0.75 0.39 0.78 -0.87 0.00 0.00 176.83 178.07 3kqz h ASN 312 N 0.16 1.08 -0.58 4.97 2.35 -0.69 -2.30 115.58 120.57 3kqz h ASN 312 Ca -0.00 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.54 3kqz h ASN 312 Cb 1.05 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.11 3kqz h ASN 312 CO 0.09 0.91 0.07 0.00 -1.65 0.00 0.00 177.43 176.85 3kqz h ALA 313 N 1.25 0.97 -0.42 -0.83 0.00 -0.63 -2.19 119.26 117.42 3kqz h ALA 313 Ca 0.28 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 313 Cb 0.13 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3kqz h ALA 313 CO -0.03 0.64 0.23 0.00 0.00 0.00 0.00 179.25 180.08 3kqz h ALA 314 N 1.13 0.53 0.17 0.00 0.00 -0.92 -0.89 119.26 119.28 3kqz h ALA 314 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3kqz h ALA 314 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3kqz h ALA 314 CO 0.02 -0.11 -0.23 0.28 0.00 0.00 0.00 179.25 179.21 3kqz h VAL 315 N 0.47 0.50 -0.94 0.00 2.07 -1.25 0.75 116.25 117.84 3kqz h VAL 315 Ca 0.17 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.86 3kqz h VAL 315 Cb 0.04 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.20 3kqz h VAL 315 CO -0.10 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.71 3kqz h GLU 316 N -0.46 0.71 -0.34 1.57 5.08 -1.15 0.25 114.58 120.24 3kqz h GLU 316 Ca 0.01 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3kqz h GLU 316 Cb 0.45 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3kqz h GLU 316 CO -0.09 0.47 0.06 1.25 -1.00 0.00 0.00 179.01 179.69 3kqz h LEU 317 N 0.73 0.54 -0.75 1.33 5.85 -0.63 -0.83 115.31 121.56 3kqz h LEU 317 Ca 0.52 -0.26 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3kqz h LEU 317 Cb 0.76 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 3kqz h LEU 317 CO -0.37 0.66 0.26 0.00 -0.34 0.00 0.00 178.44 178.65 3kqz h ALA 318 N 0.90 0.98 -0.65 1.25 0.00 0.63 -0.41 119.26 121.96 3kqz h ALA 318 Ca 0.10 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3kqz h ALA 318 Cb 0.35 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kqz h ALA 318 CO 0.01 0.64 0.12 1.96 0.00 0.00 0.00 179.25 181.98 3kqz h GLN 319 N 1.10 1.07 0.00 0.00 4.20 -0.48 0.17 115.11 121.17 3kqz h GLN 319 Ca 0.24 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3kqz h GLN 319 Cb 0.28 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3kqz h GLN 319 CO -0.01 0.98 -0.30 0.87 -0.67 0.00 0.00 178.83 179.70 3kqz h LYS 320 N 0.99 0.00 -0.06 1.46 1.57 -0.40 -3.11 116.57 117.02 3kqz h LYS 320 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3kqz h LYS 320 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3kqz h LYS 320 CO 0.01 0.30 0.00 1.28 -0.57 0.00 0.00 179.45 180.47 3kqz n LEU 321 N -3.52 2.66 -3.17 2.94 4.77 -0.23 -4.99 117.00 115.47 3kqz n LEU 321 Ca -0.00 -1.05 -0.22 0.00 -0.03 0.00 0.00 56.01 54.70 3kqz n LEU 321 Cb 0.45 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.58 3kqz n LEU 321 CO 0.35 0.48 0.14 0.59 -1.33 0.00 0.00 177.39 177.62 3kqz n ASN 322 N 1.10 -6.01 -4.87 -1.43 3.02 0.45 -4.90 115.26 102.61 3kqz n ASN 322 Ca 0.12 -0.41 -0.34 0.00 -0.03 0.00 0.00 54.58 53.92 3kqz n ASN 322 Cb 0.49 -4.71 -0.05 0.00 -0.61 0.00 0.00 39.78 34.89 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 -6.65 4.31 0.48 3.41 1.43 -0.26 -5.02 118.68 116.39 3kqz s LEU 323 Ca 0.44 0.77 -0.24 0.00 -1.03 0.00 0.00 54.13 54.07 3kqz s LEU 323 Cb -0.20 -3.13 -0.07 0.00 0.03 0.00 0.00 46.19 42.82 3kqz s LEU 323 CO 0.55 0.12 1.33 -1.61 0.23 0.00 0.00 176.35 176.96 3kqz s GLU 324 N -2.17 3.53 0.11 1.70 8.01 -1.14 -4.58 118.70 124.17 3kqz s GLU 324 Ca 0.36 2.17 -0.13 0.00 0.01 0.00 0.00 54.97 57.39 3kqz s GLU 324 Cb -0.13 -2.47 0.02 0.00 -4.31 0.00 0.00 34.13 27.24 3kqz s GLU 324 CO 0.20 -0.86 0.32 1.52 0.01 0.00 0.00 175.26 176.45 3kqz s TYR 325 N -1.32 -0.06 -0.28 1.61 -0.85 -1.26 -0.13 117.35 115.06 3kqz s TYR 325 Ca 0.65 -0.30 -0.13 0.00 -0.52 0.00 0.00 57.07 56.77 3kqz s TYR 325 Cb -0.38 0.13 0.10 0.00 0.38 0.00 0.00 41.96 42.19 3kqz s TYR 325 CO 0.47 -0.64 0.66 0.21 -1.52 0.00 0.00 175.55 174.74 3kqz s LYS 326 N -3.83 0.64 -0.30 -3.49 2.20 0.42 -4.98 119.74 110.40 3kqz s LYS 326 Ca 0.04 1.32 -0.07 0.00 -0.36 0.00 0.00 55.97 56.90 3kqz s LYS 326 Cb 0.03 0.46 0.01 0.00 -1.51 0.00 0.00 37.83 36.82 3kqz s LYS 326 CO -0.12 -0.17 0.08 0.42 -0.36 0.00 0.00 175.35 175.20 3kqz s ILE 327 N 2.20 3.93 -0.03 5.43 -1.09 -1.26 -1.23 121.20 129.14 3kqz s ILE 327 Ca -0.08 -0.73 -0.24 0.00 -2.23 0.00 0.00 60.65 57.36 3kqz s ILE 327 Cb -0.08 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.72 3kqz s ILE 327 CO -0.19 0.06 0.75 -0.76 -1.23 0.00 0.00 174.94 173.56 3kqz s LEU 328 N 1.49 4.36 0.00 2.97 1.43 -0.11 -4.90 118.68 123.91 3kqz s LEU 328 Ca 0.02 1.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 3kqz s LEU 328 Cb -0.17 -3.17 0.04 0.00 0.03 0.00 0.00 46.19 42.91 3kqz s LEU 328 CO 0.02 -0.10 0.27 0.61 0.23 0.00 0.00 176.35 177.39 3kqz n GLY 329 N 2.90 1.19 0.16 -3.19 0.00 -1.26 -1.22 105.19 103.78 3kqz n GLY 329 Ca -0.01 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 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 -0.26 1.22 -0.85 1.61 2.07 -1.96 -0.49 116.25 117.58 3kqz h VAL 330 Ca -0.09 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.74 3kqz h VAL 330 Cb 0.36 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3kqz h VAL 330 CO 0.11 0.24 0.55 0.11 0.02 0.00 0.00 177.57 178.59 3kqz h LYS 331 N 0.33 1.03 -0.30 1.57 1.79 -1.96 0.74 116.57 119.76 3kqz h LYS 331 Ca 0.09 -0.06 -0.13 0.00 -2.18 0.00 0.00 60.65 58.37 3kqz h LYS 331 Cb 0.29 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 3kqz h LYS 331 CO 0.00 0.68 -0.35 0.93 -1.08 0.00 0.00 179.45 179.63 3kqz h GLU 332 N 1.06 0.67 -0.57 3.15 3.07 -1.90 -0.97 114.58 119.08 3kqz h GLU 332 Ca 0.34 -0.32 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 3kqz h GLU 332 Cb 0.01 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 3kqz h GLU 332 CO -0.12 0.92 0.21 -0.07 -1.40 0.00 0.00 179.01 178.56 3kqz h LEU 333 N 0.56 0.77 -0.44 1.33 3.38 -0.26 0.79 115.31 121.43 3kqz h LEU 333 Ca 0.06 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.84 3kqz h LEU 333 Cb 0.87 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3kqz h LEU 333 CO 0.08 0.70 -0.06 -0.33 0.09 0.00 0.00 178.44 178.92 3kqz h GLU 334 N 0.83 0.82 -0.73 1.13 5.08 -0.62 -1.49 114.58 119.60 3kqz h GLU 334 Ca 0.19 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 3kqz h GLU 334 Cb 0.19 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3kqz h GLU 334 CO -0.02 0.91 0.34 0.93 -1.00 0.00 0.00 179.01 180.17 3kqz h GLU 335 N 0.66 1.05 -0.02 2.33 5.08 -0.46 -1.07 114.58 122.15 3kqz h GLU 335 Ca 0.12 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3kqz h GLU 335 Cb 0.58 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3kqz h GLU 335 CO 0.03 0.82 0.00 1.28 -1.00 0.00 0.00 179.01 180.14 3kqz n LEU 336 N -4.32 0.28 -3.13 1.33 4.77 0.20 -4.87 117.00 111.27 3kqz n LEU 336 Ca 0.07 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.73 3kqz n LEU 336 Cb 0.15 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.28 3kqz n LEU 336 CO 0.39 0.06 0.17 0.29 -1.33 0.00 0.00 177.39 176.97 3kqz n LYS 337 N -0.62 -6.49 -1.70 3.23 5.02 -0.40 -4.68 118.16 112.50 3kqz n LYS 337 Ca 0.15 0.75 -0.41 0.00 -2.02 0.00 0.00 58.31 56.79 3kqz n LYS 337 Cb 0.11 -5.50 -0.01 0.00 -0.02 0.00 0.00 35.03 29.62 3kqz n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kqz n MET 338 N -4.32 3.34 0.08 1.97 2.81 -0.64 -2.43 117.12 117.93 3kqz n MET 338 Ca -0.02 -2.66 -0.01 0.00 -1.81 0.00 0.00 57.70 53.20 3kqz n MET 338 Cb 0.57 -3.05 0.27 0.00 -0.71 0.00 0.00 33.22 30.30 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 8.49 0.32 0.37 3.03 0.00 -1.67 0.48 103.07 114.09 3kqz h GLY 339 Ca 0.65 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 3kqz h GLY 339 CO 1.80 0.24 -0.01 0.00 0.00 0.00 0.00 176.54 178.56 3kqz h ALA 340 N 1.44 -0.03 -0.30 3.60 0.00 -1.81 -1.57 119.26 120.59 3kqz h ALA 340 Ca 0.04 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kqz h ALA 340 Cb 0.65 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3kqz h ALA 340 CO 0.05 -0.20 0.13 -0.92 0.00 0.00 0.00 179.25 178.30 3kqz h TYR 341 N -0.67 0.23 -0.72 0.00 3.20 -1.60 -3.08 116.97 114.33 3kqz h TYR 341 Ca -0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3kqz h TYR 341 Cb 0.62 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3kqz h TYR 341 CO 0.14 0.11 0.29 -0.07 -1.64 0.00 0.00 178.16 176.99 3kqz h LEU 342 N 0.27 1.00 -0.88 2.82 3.38 -0.93 -2.85 115.31 118.12 3kqz h LEU 342 Ca 0.13 -0.17 0.12 0.00 0.09 0.00 0.00 57.88 58.05 3kqz h LEU 342 Cb 0.08 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.48 3kqz h LEU 342 CO -0.12 0.90 0.50 0.28 0.09 0.00 0.00 178.44 180.09 3kqz h SER 343 N 1.04 0.67 -0.73 -0.43 0.02 -1.20 -2.06 113.55 110.86 3kqz h SER 343 Ca 0.24 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.24 3kqz h SER 343 Cb 0.21 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 3kqz h SER 343 CO -0.02 0.33 0.40 0.58 -1.14 0.00 0.00 176.83 176.99 3kqz h VAL 344 N 0.76 1.22 -0.01 2.27 2.07 -1.43 -2.73 116.25 118.41 3kqz h VAL 344 Ca 0.45 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3kqz h VAL 344 Cb 0.53 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3kqz h VAL 344 CO -0.30 0.25 -0.21 0.61 0.02 0.00 0.00 177.57 177.94 3kqz n GLY 345 N -1.19 -0.32 0.34 2.17 0.00 -0.87 -4.29 105.19 101.03 3kqz n GLY 345 Ca 0.07 -0.45 0.18 0.00 0.00 0.00 0.00 46.02 45.83 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 1.78 0.52 -0.02 1.61 1.57 -1.06 0.15 116.57 121.12 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 0.55 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kqz h LYS 346 CO 0.00 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.64 3kqz n GLY 347 N -1.31 -0.54 3.85 3.86 0.00 -1.24 -4.40 105.19 105.41 3kqz n GLY 347 Ca 0.28 -0.29 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3kqz n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kqz s SER 348 N -1.88 6.80 0.01 1.61 0.15 0.53 -4.64 113.70 116.27 3kqz s SER 348 Ca 0.40 1.22 0.23 0.00 0.70 0.00 0.00 55.95 58.50 3kqz s SER 348 Cb 0.20 -2.35 0.97 0.00 -1.71 0.00 0.00 66.02 63.13 3kqz s SER 348 CO 0.32 -0.12 1.73 1.15 1.20 0.00 0.00 173.24 177.52 3kqz n MET 349 N -0.06 0.01 -4.07 5.44 0.00 -1.26 -4.68 117.12 112.50 3kqz n MET 349 Ca 0.01 0.11 -0.35 0.00 0.00 0.00 0.00 57.70 57.48 3kqz n MET 349 Cb 0.53 -1.51 -0.10 0.00 0.00 0.00 0.00 33.22 32.14 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 -3.01 3.25 0.33 3.17 1.51 -1.26 -4.90 117.35 116.44 3kqz s TYR 350 Ca 0.11 0.09 -0.29 0.00 -1.01 0.00 0.00 57.07 55.97 3kqz s TYR 350 Cb 0.15 -2.02 -0.11 0.00 -0.11 0.00 0.00 41.96 39.87 3kqz s TYR 350 CO 0.42 0.22 1.48 -2.14 -1.11 0.00 0.00 175.55 174.42 3kqz s PRO 351 N 0.11 4.17 0.42 -1.71 0.02 -1.26 -4.80 135.00 131.95 3kqz s PRO 351 Ca 0.05 2.48 -0.23 0.00 0.02 0.00 0.00 61.00 63.31 3kqz s PRO 351 Cb -0.12 -3.02 -0.12 0.00 0.02 0.00 0.00 34.50 31.26 3kqz s PRO 351 CO 0.01 -0.49 0.78 0.09 -0.33 0.00 0.00 177.00 177.06 3kqz n ASN 352 N 1.26 0.16 -3.68 2.53 4.13 -1.26 -4.54 115.26 113.86 3kqz n ASN 352 Ca 0.04 0.97 -0.20 0.00 1.68 0.00 0.00 54.58 57.06 3kqz n ASN 352 Cb 0.39 -1.23 -0.18 0.00 -1.54 0.00 0.00 39.78 37.22 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 -1.80 -0.02 -0.31 3.52 -0.14 -1.03 -4.17 119.74 115.79 3kqz s LYS 353 Ca 0.64 0.34 -0.18 0.00 -1.36 0.00 0.00 55.97 55.41 3kqz s LYS 353 Cb -0.59 -0.60 -0.02 0.00 -1.68 0.00 0.00 37.83 34.95 3kqz s LYS 353 CO 0.57 -0.34 0.50 0.12 -0.76 0.00 0.00 175.35 175.44 3kqz s PHE 354 N 2.15 3.21 -0.19 3.18 2.19 -0.36 -1.22 117.98 126.95 3kqz s PHE 354 Ca 0.05 0.37 -0.16 0.00 0.33 0.00 0.00 56.93 57.52 3kqz s PHE 354 Cb -0.12 -2.83 -0.04 0.00 -1.31 0.00 0.00 43.02 38.72 3kqz s PHE 354 CO -0.03 -0.42 0.40 0.42 1.83 0.00 0.00 175.22 177.41 3kqz s ILE 355 N 2.34 5.21 -0.25 3.12 1.01 0.50 -0.94 121.20 132.19 3kqz s ILE 355 Ca 0.19 0.72 -0.01 0.00 0.00 0.00 0.00 60.65 61.55 3kqz s ILE 355 Cb -0.15 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.66 3kqz s ILE 355 CO 0.12 0.27 0.05 -2.28 0.00 0.00 0.00 174.94 173.09 3kqz s HIS 356 N 1.16 1.60 0.07 3.97 2.46 -0.37 -1.20 115.29 122.98 3kqz s HIS 356 Ca 0.20 -1.43 0.05 0.00 0.47 0.00 0.00 55.06 54.35 3kqz s HIS 356 Cb -0.15 -1.45 -0.04 0.00 -0.13 0.00 0.00 32.58 30.82 3kqz s HIS 356 CO 0.08 -0.76 -0.03 -0.51 -2.47 0.00 0.00 174.74 171.05 3kqz s LEU 357 N 1.66 3.34 -0.05 8.88 1.02 -0.64 -0.44 118.68 132.45 3kqz s LEU 357 Ca 0.03 -0.20 0.03 0.00 0.02 0.00 0.00 54.13 54.01 3kqz s LEU 357 Cb -0.17 -2.04 0.01 0.00 0.02 0.00 0.00 46.19 44.00 3kqz s LEU 357 CO -0.15 0.20 -0.12 -0.89 0.02 0.00 0.00 176.35 175.41 3kqz s THR 358 N -1.22 1.07 -0.18 5.49 2.01 0.82 -0.66 115.64 122.98 3kqz s THR 358 Ca 0.23 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.71 3kqz s THR 358 Cb -0.11 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 3kqz s THR 358 CO 0.15 0.33 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.88 3kqz s TYR 359 N 0.38 2.94 -0.10 4.92 5.04 0.23 -2.86 117.35 127.89 3kqz s TYR 359 Ca -0.08 -0.69 0.04 0.00 -2.44 0.00 0.00 57.07 53.90 3kqz s TYR 359 Cb -0.13 -2.00 -0.00 0.00 0.35 0.00 0.00 41.96 40.18 3kqz s TYR 359 CO 0.02 -0.33 -0.24 0.21 -1.34 0.00 0.00 175.55 173.88 3kqz s LYS 360 N 0.91 3.06 0.63 4.97 2.20 -1.26 0.47 119.74 130.72 3kqz s LYS 360 Ca -0.01 -0.87 -0.17 0.00 -0.36 0.00 0.00 55.97 54.55 3kqz s LYS 360 Cb -0.15 -2.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.85 3kqz s LYS 360 CO 0.01 0.18 1.20 -1.12 -0.36 0.00 0.00 175.35 175.26 3kqz s SER 361 N 0.33 4.93 0.48 1.43 0.01 -0.28 -5.02 113.70 115.59 3kqz s SER 361 Ca -0.19 2.35 -0.20 0.00 1.31 0.00 0.00 55.95 59.22 3kqz s SER 361 Cb -0.18 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.37 3kqz s SER 361 CO 0.09 -1.77 1.04 -0.54 0.41 0.00 0.00 173.24 172.47 3kqz s LYS 362 N -3.55 3.81 1.54 12.44 1.02 -1.26 -4.87 119.74 128.87 3kqz s LYS 362 Ca 0.76 1.37 0.00 0.00 0.02 0.00 0.00 55.97 58.12 3kqz s LYS 362 Cb -0.29 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 3kqz s LYS 362 CO 0.37 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 3kqz n GLY 363 N -0.23 -0.86 3.71 -3.33 0.00 -1.26 -4.48 105.19 98.74 3kqz n GLY 363 Ca 0.09 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 3kqz n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kqz s ASP 364 N -4.00 7.28 -0.46 1.61 3.84 -1.26 -4.94 116.67 118.74 3kqz s ASP 364 Ca 0.00 1.74 -0.23 0.00 -0.00 0.00 0.00 52.55 54.06 3kqz s ASP 364 Cb 0.00 -2.57 0.03 0.00 -1.38 0.00 0.00 42.92 39.00 3kqz s ASP 364 CO 0.00 -0.34 0.80 -0.69 -0.00 0.00 0.00 175.17 174.94 3kqz s VAL 365 N 1.15 4.63 -0.20 2.11 1.01 -1.26 -3.52 120.40 124.31 3kqz s VAL 365 Ca 0.53 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.86 3kqz s VAL 365 Cb -0.23 -4.34 -0.20 0.00 0.00 0.00 0.00 36.38 31.61 3kqz s VAL 365 CO 0.27 -0.75 0.07 0.29 0.00 0.00 0.00 175.10 174.99 3kqz n LYS 366 N 6.78 0.67 -5.06 2.72 5.02 0.31 -4.89 118.16 123.71 3kqz n LYS 366 Ca 0.02 0.30 -0.32 0.00 -2.02 0.00 0.00 58.31 56.29 3kqz n LYS 366 Cb 0.48 -1.64 -0.15 0.00 -0.02 0.00 0.00 35.03 33.70 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 -2.50 2.86 -0.19 1.97 -0.14 -0.92 -5.04 119.74 115.78 3kqz s LYS 367 Ca -0.29 -0.80 -0.05 0.00 -1.36 0.00 0.00 55.97 53.46 3kqz s LYS 367 Cb 0.08 -2.35 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 3kqz s LYS 367 CO 0.65 0.34 0.00 0.15 -0.76 0.00 0.00 175.35 175.74 3kqz s LYS 368 N -0.04 3.69 -0.06 1.68 1.02 -1.26 -1.03 119.74 123.74 3kqz s LYS 368 Ca -0.06 -0.49 0.03 0.00 0.02 0.00 0.00 55.97 55.47 3kqz s LYS 368 Cb -0.15 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3kqz s LYS 368 CO 0.05 0.10 -0.15 0.42 -0.92 0.00 0.00 175.35 174.85 3kqz s ILE 369 N 0.77 1.30 -0.21 2.17 1.01 0.05 0.43 121.20 126.71 3kqz s ILE 369 Ca 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 3kqz s ILE 369 Cb -0.14 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 3kqz s ILE 369 CO 0.02 0.39 0.11 0.00 0.00 0.00 0.00 174.94 175.46 3kqz s ALA 370 N 0.47 3.53 -0.23 9.38 0.00 0.26 0.96 121.76 136.13 3kqz s ALA 370 Ca -0.12 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 3kqz s ALA 370 Cb -0.15 -2.14 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 3kqz s ALA 370 CO 0.04 -0.01 -0.00 -0.51 0.00 0.00 0.00 175.76 175.27 3kqz s LEU 371 N 0.71 3.09 -0.15 0.00 1.43 0.12 -1.18 118.68 122.69 3kqz s LEU 371 Ca 0.06 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.84 3kqz s LEU 371 Cb -0.13 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.29 3kqz s LEU 371 CO 0.02 -0.02 -0.15 -0.69 0.23 0.00 0.00 176.35 175.74 3kqz s VAL 372 N 1.47 2.72 -0.09 -1.59 1.01 0.24 -0.30 120.40 123.87 3kqz s VAL 372 Ca 0.05 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3kqz s VAL 372 Cb -0.15 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3kqz s VAL 372 CO -0.01 0.52 -0.22 -0.83 0.00 0.00 0.00 175.10 174.56 3kqz s GLY 373 N 0.75 1.36 0.07 4.51 0.00 -0.58 0.53 107.32 113.96 3kqz s GLY 373 Ca -0.06 -0.98 -0.31 0.00 0.00 0.00 0.00 44.72 43.37 3kqz s GLY 373 CO 0.01 -0.43 1.49 1.25 0.00 0.00 0.00 173.10 175.42 3kqz s LYS 374 N 0.14 4.26 -0.58 2.90 2.20 -0.59 -3.97 119.74 124.10 3kqz s LYS 374 Ca -0.12 2.15 0.06 0.00 -0.36 0.00 0.00 55.97 57.70 3kqz s LYS 374 Cb -0.16 -3.43 0.31 0.00 -1.51 0.00 0.00 37.83 33.04 3kqz s LYS 374 CO 0.06 -0.58 0.85 0.41 -0.36 0.00 0.00 175.35 175.74 3kqz n GLY 375 N 3.71 5.12 3.58 5.54 0.00 -1.26 -1.16 105.19 120.71 3kqz n GLY 375 Ca 0.13 -2.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.07 3kqz n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kqz s ILE 376 N -3.55 5.03 -0.19 -0.61 -1.09 -0.85 -0.97 121.20 118.98 3kqz s ILE 376 Ca 0.45 0.51 0.17 0.00 -2.23 0.00 0.00 60.65 59.55 3kqz s ILE 376 Cb 0.24 -3.92 0.06 0.00 -1.58 0.00 0.00 42.46 37.26 3kqz s ILE 376 CO -0.09 -0.12 1.34 0.71 -1.23 0.00 0.00 174.94 175.56 3kqz h THR 377 N 5.55 0.64 -3.15 2.92 1.35 -1.01 -0.59 112.91 118.63 3kqz h THR 377 Ca -0.28 -1.96 -0.17 0.00 -0.55 0.00 0.00 66.41 63.45 3kqz h THR 377 Cb 1.13 2.25 -0.26 0.00 -1.73 0.00 0.00 68.15 69.55 3kqz h THR 377 CO 0.75 0.37 -0.44 0.12 -0.25 0.00 0.00 175.52 176.07 3kqz s PHE 378 N -3.01 -0.27 -0.44 4.73 5.36 -1.26 -4.34 117.98 118.75 3kqz s PHE 378 Ca 0.03 0.65 -0.04 0.00 -0.96 0.00 0.00 56.93 56.61 3kqz s PHE 378 Cb 0.07 0.09 0.12 0.00 -0.34 0.00 0.00 43.02 42.96 3kqz s PHE 378 CO 0.75 -0.13 0.25 0.34 -1.46 0.00 0.00 175.22 174.96 3kqz s ASP 379 N 0.18 5.32 0.33 6.13 2.15 -1.17 -0.97 116.67 128.64 3kqz s ASP 379 Ca -0.00 -2.10 0.24 0.00 0.43 0.00 0.00 52.55 51.12 3kqz s ASP 379 Cb -0.02 -1.86 0.48 0.00 -0.30 0.00 0.00 42.92 41.22 3kqz s ASP 379 CO -0.00 -0.55 1.62 0.77 -0.17 0.00 0.00 175.17 176.84 3kqz h SER 380 N 8.00 0.00 0.00 -0.34 4.64 -1.66 -3.46 113.55 120.74 3kqz h SER 380 Ca -0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3kqz h SER 380 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3kqz h SER 380 CO 0.72 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 3kqz n GLY 381 N 1.19 0.35 7.00 -0.77 0.00 -1.25 -0.36 105.19 111.33 3kqz n GLY 381 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3kqz n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqz n GLY 382 N -1.96 0.63 0.36 -0.02 0.00 -1.25 -2.34 105.19 100.61 3kqz n GLY 382 Ca 0.00 -0.75 0.18 0.00 0.00 0.00 0.00 46.02 45.45 3kqz n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kqz h TYR 383 N 0.00 0.00 -0.32 1.61 0.05 -1.82 0.13 116.97 116.62 3kqz h TYR 383 Ca 0.00 0.00 -0.67 0.00 0.05 0.00 0.00 58.73 58.11 3kqz h TYR 383 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 3kqz h TYR 383 CO 0.00 0.00 3.33 0.09 -1.05 0.00 0.00 178.16 180.53 3kqz n ASN 384 N -4.36 8.47 -4.60 3.88 4.13 -1.16 -4.97 115.26 116.66 3kqz n ASN 384 Ca 0.08 -2.73 -0.42 0.00 1.68 0.00 0.00 54.58 53.19 3kqz n ASN 384 Cb 0.53 -1.50 0.01 0.00 -1.54 0.00 0.00 39.78 37.27 3kqz n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kqz n LEU 385 N 3.03 2.27 -4.57 3.41 7.94 0.03 -4.55 117.00 124.57 3kqz n LEU 385 Ca 0.73 1.05 -0.38 0.00 -1.11 0.00 0.00 56.01 56.30 3kqz n LEU 385 Cb 0.26 -1.32 -0.03 0.00 0.53 0.00 0.00 43.42 42.85 3kqz n LEU 385 CO 0.79 -1.56 1.59 -0.54 -1.11 0.00 0.00 177.39 176.55 3kqz s LYS 386 N -1.90 3.44 -0.01 1.96 1.02 0.51 -4.55 119.74 120.21 3kqz s LYS 386 Ca 0.62 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 55.42 3kqz s LYS 386 Cb -0.59 -5.35 -0.04 0.00 -0.52 0.00 0.00 37.83 31.33 3kqz s LYS 386 CO 0.58 -2.55 0.04 0.00 -0.92 0.00 0.00 175.35 172.49 3kqz n ALA 387 N 10.01 2.03 -1.76 5.17 0.00 -1.26 -4.71 120.51 129.99 3kqz n ALA 387 Ca 0.39 -0.12 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 3kqz n ALA 387 Cb 0.49 0.03 0.02 0.00 0.00 0.00 0.00 19.45 19.99 3kqz n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqz s ALA 388 N -2.14 2.81 0.26 0.00 0.00 -1.26 -4.93 121.76 116.49 3kqz s ALA 388 Ca -0.01 1.13 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 3kqz s ALA 388 Cb 0.01 -3.48 -0.13 0.00 0.00 0.00 0.00 23.12 19.52 3kqz s ALA 388 CO 0.12 -1.09 1.38 -2.30 0.00 0.00 0.00 175.76 173.87 3kqz n PRO 389 N -0.97 2.03 -0.38 0.00 -0.02 -1.26 -1.65 135.00 132.75 3kqz n PRO 389 Ca 0.10 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3kqz n PRO 389 Cb 0.47 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 1.88 1.25 0.00 -1.23 0.00 -1.26 -4.93 105.19 100.90 3kqz n GLY 390 Ca 0.10 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 -4.07 1.61 3.41 -0.66 -4.92 113.62 108.99 3kqz n SER 391 Ca 0.00 0.23 -0.30 0.00 -0.26 0.00 0.00 58.87 58.54 3kqz n SER 391 Cb 0.00 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.53 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 -1.39 -3.27 -0.18 4.33 2.81 -1.26 -4.84 117.12 113.32 3kqz n MET 392 Ca 0.08 0.39 0.18 0.00 -1.81 0.00 0.00 57.70 56.54 3kqz n MET 392 Cb 0.22 -4.75 0.53 0.00 -0.71 0.00 0.00 33.22 28.51 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 -1.72 0.74 0.00 2.02 2.10 -1.91 -0.24 117.51 118.49 3kqz h ILE 393 Ca -0.61 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.20 3kqz h ILE 393 Cb 1.38 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.46 3kqz h ILE 393 CO 0.69 0.07 0.00 -0.90 -1.08 0.00 0.00 178.15 176.93 3kqz n ASP 394 N -4.47 0.00 -0.37 2.19 5.75 -1.26 -1.71 116.55 116.68 3kqz n ASP 394 Ca 0.16 0.28 0.09 0.00 -0.01 0.00 0.00 54.79 55.31 3kqz n ASP 394 Cb 0.61 -0.38 -0.02 0.00 -1.03 0.00 0.00 41.12 40.30 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 -1.38 1.69 0.00 -2.12 7.94 -0.10 -4.69 117.00 118.34 3kqz n LEU 395 Ca 0.05 -0.73 0.09 0.00 -1.11 0.00 0.00 56.01 54.30 3kqz n LEU 395 Cb 0.12 0.00 0.47 0.00 0.53 0.00 0.00 43.42 44.54 3kqz n LEU 395 CO 0.10 0.33 0.74 0.23 -1.11 0.00 0.00 177.39 177.68 3kqz n MET 396 N -0.24 0.37 0.26 1.96 2.81 -0.69 -1.32 117.12 120.27 3kqz n MET 396 Ca 0.07 0.07 0.18 0.00 -1.81 0.00 0.00 57.70 56.21 3kqz n MET 396 Cb 0.38 -1.50 0.86 0.00 -0.71 0.00 0.00 33.22 32.26 3kqz n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kqz h LYS 397 N 0.00 0.00 -0.00 0.03 2.10 -1.82 -2.23 116.57 114.64 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 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 3kqz h LYS 397 CO 0.00 0.00 -0.06 1.97 -2.00 0.00 0.00 179.45 179.36 3kqz n PHE 398 N -3.26 0.00 1.50 0.07 -0.00 -0.43 -3.67 117.46 111.67 3kqz n PHE 398 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.56 3kqz n PHE 398 Cb 0.37 -0.10 0.61 0.00 -0.00 0.00 0.00 39.48 40.36 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 -0.76 0.00 -1.34 5.98 2.03 -0.85 -1.34 116.55 120.28 3kqz n ASP 399 Ca 0.18 -0.86 0.04 0.00 0.52 0.00 0.00 54.79 54.67 3kqz n ASP 399 Cb 0.25 0.00 0.29 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.93 3.38 0.17 -0.67 0.00 -0.23 -2.01 117.12 116.84 3kqz n MET 400 Ca 0.15 -3.00 0.05 0.00 0.00 0.00 0.00 57.70 54.91 3kqz n MET 400 Cb 0.07 -2.00 0.51 0.00 0.00 0.00 0.00 33.22 31.79 3kqz n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kqz h SER 401 N 2.34 0.14 -0.02 3.17 0.02 -1.36 -1.44 113.55 116.41 3kqz h SER 401 Ca 0.07 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3kqz h SER 401 Cb 1.75 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 64.26 3kqz h SER 401 CO 0.40 0.20 -0.01 1.23 -1.14 0.00 0.00 176.83 177.51 3kqz h GLY 402 N 0.40 0.03 1.02 -3.77 0.00 -1.75 -1.12 103.07 97.88 3kqz h GLY 402 Ca 0.04 -0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.38 3kqz h GLY 402 CO 0.00 0.03 0.57 0.00 0.00 0.00 0.00 176.54 177.14 3kqz h ALA 404 N 1.50 0.37 -0.48 0.00 0.00 -1.11 -0.94 119.26 118.60 3kqz h ALA 404 Ca 0.35 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3kqz h ALA 404 Cb 0.05 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3kqz h ALA 404 CO -0.11 0.05 0.15 0.00 0.00 0.00 0.00 179.25 179.34 3kqz h ALA 405 N 0.87 0.57 -0.54 0.00 0.00 -0.79 0.25 119.26 119.62 3kqz h ALA 405 Ca 0.08 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kqz h ALA 405 Cb 0.32 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3kqz h ALA 405 CO 0.00 -0.25 0.33 0.28 0.00 0.00 0.00 179.25 179.62 3kqz h VAL 406 N 0.31 1.16 -0.37 0.00 2.07 -0.96 0.18 116.25 118.64 3kqz h VAL 406 Ca 0.23 -0.35 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3kqz h VAL 406 Cb 0.25 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3kqz h VAL 406 CO -0.25 0.16 -0.01 -0.07 0.02 0.00 0.00 177.57 177.42 3kqz h LEU 407 N 0.72 0.65 -0.99 2.57 4.07 -0.92 -0.61 115.31 120.79 3kqz h LEU 407 Ca 0.19 -0.31 -0.02 0.00 0.08 0.00 0.00 57.88 57.82 3kqz h LEU 407 Cb -0.02 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 3kqz h LEU 407 CO -0.04 0.80 0.41 1.23 -1.08 0.00 0.00 178.44 179.76 3kqz h GLY 408 N 0.47 1.20 0.59 0.83 0.00 -0.32 -1.15 103.07 104.70 3kqz h GLY 408 Ca 0.10 -0.57 0.07 0.00 0.00 0.00 0.00 47.33 46.94 3kqz h GLY 408 CO 0.02 0.54 0.37 0.00 0.00 0.00 0.00 176.54 177.47 3kqz h ALA 410 N 1.38 1.27 -0.07 0.00 0.00 0.08 0.79 119.26 122.72 3kqz h ALA 410 Ca 0.32 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kqz h ALA 410 Cb 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kqz h ALA 410 CO -0.22 0.58 0.04 -0.92 0.00 0.00 0.00 179.25 178.73 3kqz h TYR 411 N 1.05 0.09 -0.36 0.00 3.20 -0.90 0.52 116.97 120.56 3kqz h TYR 411 Ca 0.26 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.04 3kqz h TYR 411 Cb 0.07 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3kqz h TYR 411 CO 0.01 0.06 -0.14 0.00 -1.64 0.00 0.00 178.16 176.45 3kqz h VAL 413 N 0.52 1.29 0.00 0.00 2.07 0.55 0.25 116.25 120.92 3kqz h VAL 413 Ca 0.08 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.35 3kqz h VAL 413 Cb 0.68 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 3kqz h VAL 413 CO 0.05 0.39 -0.24 1.23 0.02 0.00 0.00 177.57 179.02 3kqz h GLY 414 N 0.42 0.00 0.66 2.17 0.00 0.09 -0.27 103.07 106.13 3kqz h GLY 414 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.14 3kqz h GLY 414 CO 0.04 0.00 -1.32 -0.84 0.00 0.00 0.00 176.54 174.42 3kqz h THR 415 N 0.00 1.13 0.00 4.70 2.02 -0.99 -3.36 112.91 116.42 3kqz h THR 415 Ca -0.00 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.72 3kqz h THR 415 Cb 0.51 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 69.76 3kqz h THR 415 CO 0.03 0.73 -0.52 -0.07 0.37 0.00 0.00 175.52 176.06 3kqz h LEU 416 N -0.26 0.00 -2.84 2.58 3.38 -0.91 -3.49 115.31 113.78 3kqz h LEU 416 Ca -0.27 -0.03 -0.26 0.00 0.09 0.00 0.00 57.88 57.40 3kqz h LEU 416 Cb 1.79 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.62 3kqz h LEU 416 CO 0.10 0.02 -0.65 0.29 0.09 0.00 0.00 178.44 178.29 3kqz n LYS 417 N -2.70 -1.53 -1.20 1.13 5.02 -0.12 -4.95 118.16 113.80 3kqz n LYS 417 Ca 0.02 0.92 -0.31 0.00 -2.02 0.00 0.00 58.31 56.93 3kqz n LYS 417 Cb 0.52 -4.80 0.11 0.00 -0.02 0.00 0.00 35.03 30.84 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 -4.54 1.83 0.27 1.97 0.04 -1.26 -5.03 135.00 128.28 3kqz s PRO 418 Ca 0.26 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.43 3kqz s PRO 418 Cb -0.07 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 3kqz s PRO 418 CO 0.80 -1.91 0.40 -1.21 0.04 0.00 0.00 177.00 175.11 3kqz s GLU 419 N -4.89 3.36 -1.62 4.56 2.02 -1.26 -4.57 118.70 116.30 3kqz s GLU 419 Ca 0.62 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.81 3kqz s GLU 419 Cb -0.18 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.19 3kqz s GLU 419 CO 0.57 0.32 0.00 0.09 0.02 0.00 0.00 175.26 176.26 3kqz n ASN 420 N -1.49 -5.12 -4.12 -0.19 3.02 -1.23 -4.95 115.26 101.18 3kqz n ASN 420 Ca -0.07 0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.49 3kqz n ASN 420 Cb 0.57 -4.35 -0.11 0.00 -0.61 0.00 0.00 39.78 35.28 3kqz n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kqz s VAL 421 N -2.81 0.74 -0.10 2.41 -7.23 -1.26 -0.53 120.40 111.62 3kqz s VAL 421 Ca 0.00 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 3kqz s VAL 421 Cb 0.00 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.93 3kqz s VAL 421 CO 0.00 -0.49 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.47 3kqz s GLU 422 N -2.26 1.96 -0.09 4.82 2.12 -0.20 -1.12 118.70 123.93 3kqz s GLU 422 Ca -0.02 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.88 3kqz s GLU 422 Cb -0.06 -1.71 0.00 0.00 0.26 0.00 0.00 34.13 32.62 3kqz s GLU 422 CO -0.00 -0.08 -0.20 0.42 -0.54 0.00 0.00 175.26 174.86 3kqz s ILE 423 N 1.05 1.73 -0.19 -3.70 -1.09 0.18 -0.77 121.20 118.40 3kqz s ILE 423 Ca -0.06 -0.83 -0.09 0.00 -2.23 0.00 0.00 60.65 57.44 3kqz s ILE 423 Cb -0.15 -1.51 -0.04 0.00 -1.58 0.00 0.00 42.46 39.18 3kqz s ILE 423 CO -0.02 0.49 0.09 -1.00 -1.23 0.00 0.00 174.94 173.27 3kqz s HIS 424 N 0.44 3.30 -0.30 3.97 3.76 0.27 -0.60 115.29 126.13 3kqz s HIS 424 Ca -0.17 0.15 -0.08 0.00 -0.15 0.00 0.00 55.06 54.82 3kqz s HIS 424 Cb -0.17 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.40 3kqz s HIS 424 CO 0.07 0.18 0.11 -0.06 -0.85 0.00 0.00 174.74 174.18 3kqz s PHE 425 N 0.46 3.16 -0.02 1.40 0.08 0.17 0.11 117.98 123.33 3kqz s PHE 425 Ca 0.05 -0.84 0.06 0.00 0.12 0.00 0.00 56.93 56.31 3kqz s PHE 425 Cb -0.12 -2.29 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3kqz s PHE 425 CO -0.00 -0.54 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.88 3kqz s LEU 426 N 1.54 2.02 -0.16 -0.37 1.43 0.59 -1.62 118.68 122.11 3kqz s LEU 426 Ca 0.03 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 3kqz s LEU 426 Cb -0.17 -0.98 0.05 0.00 0.03 0.00 0.00 46.19 45.12 3kqz s LEU 426 CO 0.04 0.22 0.40 -0.55 0.23 0.00 0.00 176.35 176.69 3kqz s SER 427 N -0.38 -0.48 -0.77 2.29 0.15 -0.34 -1.52 113.70 112.65 3kqz s SER 427 Ca 0.06 0.85 -0.16 0.00 0.70 0.00 0.00 55.95 57.40 3kqz s SER 427 Cb -0.08 0.76 0.18 0.00 -1.71 0.00 0.00 66.02 65.17 3kqz s SER 427 CO -0.00 -0.18 0.77 0.00 1.20 0.00 0.00 173.24 175.03 3kqz s ALA 428 N 1.08 3.83 0.02 5.45 0.00 -1.26 -0.37 121.76 130.51 3kqz s ALA 428 Ca -0.07 -2.99 -0.19 0.00 0.00 0.00 0.00 51.96 48.71 3kqz s ALA 428 Cb -0.07 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.43 3kqz s ALA 428 CO -0.09 -2.35 0.54 0.08 0.00 0.00 0.00 175.76 173.94 3kqz s VAL 429 N 1.06 4.89 0.10 0.00 1.01 -0.36 -4.03 120.40 123.07 3kqz s VAL 429 Ca 0.17 1.13 -0.25 0.00 0.00 0.00 0.00 61.98 63.03 3kqz s VAL 429 Cb -0.14 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.46 3kqz s VAL 429 CO -0.05 0.50 1.14 0.00 0.00 0.00 0.00 175.10 176.68 3kqz s GLU 431 N -2.05 1.76 -0.70 0.00 2.12 -1.26 -0.40 118.70 118.16 3kqz s GLU 431 Ca 0.26 -0.73 -0.10 0.00 0.36 0.00 0.00 54.97 54.75 3kqz s GLU 431 Cb -0.02 -1.66 0.18 0.00 0.26 0.00 0.00 34.13 32.90 3kqz s GLU 431 CO 0.03 0.41 0.60 1.21 -0.54 0.00 0.00 175.26 176.97 3kqz s ASN 432 N -0.38 6.13 0.39 -1.70 2.47 -0.14 -4.27 114.94 117.43 3kqz s ASN 432 Ca 0.05 -2.58 0.08 0.00 0.42 0.00 0.00 52.86 50.83 3kqz s ASN 432 Cb -0.09 -2.08 -0.08 0.00 -1.45 0.00 0.00 41.25 37.56 3kqz s ASN 432 CO -0.00 -0.55 -0.02 -0.04 -3.72 0.00 0.00 177.10 172.77 3kqz s MET 433 N 0.34 1.92 -0.19 0.43 -1.94 -1.26 -1.56 119.30 117.03 3kqz s MET 433 Ca 0.15 -2.06 -0.06 0.00 -1.71 0.00 0.00 55.69 52.01 3kqz s MET 433 Cb -0.17 -1.66 -0.03 0.00 2.01 0.00 0.00 34.83 34.98 3kqz s MET 433 CO -0.05 0.00 0.02 0.08 -0.01 0.00 0.00 175.02 175.06 3kqz s VAL 434 N -2.68 4.24 0.18 -6.03 1.01 -1.26 -4.55 120.40 111.31 3kqz s VAL 434 Ca 0.34 -0.22 -0.24 0.00 0.00 0.00 0.00 61.98 61.87 3kqz s VAL 434 Cb 0.08 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.60 3kqz s VAL 434 CO 0.18 0.43 0.80 -0.55 0.00 0.00 0.00 175.10 175.96 3kqz s SER 435 N 0.79 -0.30 0.47 3.32 0.15 -1.26 -4.97 113.70 111.89 3kqz s SER 435 Ca 0.01 -0.35 0.17 0.00 0.70 0.00 0.00 55.95 56.48 3kqz s SER 435 Cb -0.14 0.58 1.11 0.00 -1.71 0.00 0.00 66.02 65.86 3kqz s SER 435 CO 0.02 -1.04 2.02 0.07 1.20 0.00 0.00 173.24 175.51 3kqz h LYS 436 N 2.00 0.00 -0.00 5.44 2.10 -1.97 -2.79 116.57 121.35 3kqz h LYS 436 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3kqz h LYS 436 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kqz h LYS 436 CO 0.28 0.16 -0.16 0.09 -2.00 0.00 0.00 179.45 177.82 3kqz n ASN 437 N -4.21 0.38 -4.72 7.07 5.03 -1.26 -4.97 115.26 112.57 3kqz n ASN 437 Ca -0.02 -0.29 -0.31 0.00 0.87 0.00 0.00 54.58 54.82 3kqz n ASN 437 Cb 0.23 -0.10 0.12 0.00 -1.02 0.00 0.00 39.78 39.01 3kqz n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kqz s SER 438 N -2.68 3.80 0.58 6.41 0.01 -1.05 -3.62 113.70 117.14 3kqz s SER 438 Ca 0.22 2.06 -0.15 0.00 1.31 0.00 0.00 55.95 59.40 3kqz s SER 438 Cb 0.19 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 3kqz s SER 438 CO 0.53 -2.51 1.02 -0.72 0.41 0.00 0.00 173.24 171.97 3kqz s TYR 439 N -2.66 3.30 0.07 2.43 1.13 -1.25 -4.85 117.35 115.52 3kqz s TYR 439 Ca 0.65 1.44 0.09 0.00 -1.41 0.00 0.00 57.07 57.85 3kqz s TYR 439 Cb -0.21 -2.85 -0.03 0.00 -1.10 0.00 0.00 41.96 37.76 3kqz s TYR 439 CO 0.55 -0.76 -0.25 1.03 -2.51 0.00 0.00 175.55 173.60 3kqz s ARG 440 N -4.41 1.60 0.24 -3.49 0.52 -1.26 -4.65 118.95 107.50 3kqz s ARG 440 Ca 0.59 -1.15 -0.28 0.00 -0.52 0.00 0.00 55.73 54.37 3kqz s ARG 440 Cb -0.12 -1.86 -0.16 0.00 0.52 0.00 0.00 34.95 33.33 3kqz s ARG 440 CO 0.40 0.47 0.76 -2.30 0.02 0.00 0.00 175.30 174.66 3kqz n PRO 441 N 1.52 0.66 0.00 3.54 -0.02 -1.26 -0.07 135.00 139.38 3kqz n PRO 441 Ca -0.17 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 3kqz n PRO 441 Cb 0.52 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 3kqz n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kqz n GLY 442 N 1.62 3.26 3.76 -1.23 0.00 0.21 -5.00 105.19 107.82 3kqz n GLY 442 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 3kqz n GLY 442 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kqz s ASP 443 N -0.25 5.64 -0.23 1.61 1.11 0.91 -4.54 116.67 120.93 3kqz s ASP 443 Ca 0.00 2.90 -0.07 0.00 0.18 0.00 0.00 52.55 55.56 3kqz s ASP 443 Cb 0.00 -2.65 -0.03 0.00 1.07 0.00 0.00 42.92 41.31 3kqz s ASP 443 CO 0.00 -1.33 0.07 -0.63 1.18 0.00 0.00 175.17 174.46 3kqz s ILE 444 N -1.22 4.51 0.34 0.77 1.01 -1.26 0.05 121.20 125.40 3kqz s ILE 444 Ca 0.65 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.27 3kqz s ILE 444 Cb -0.43 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 3kqz s ILE 444 CO 0.54 0.38 -0.07 0.27 0.00 0.00 0.00 174.94 176.06 3kqz s ILE 445 N 1.18 2.05 -0.14 2.92 -4.36 0.06 -4.93 121.20 117.98 3kqz s ILE 445 Ca 0.05 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.28 3kqz s ILE 445 Cb -0.14 -2.65 0.03 0.00 1.25 0.00 0.00 42.46 40.94 3kqz s ILE 445 CO 0.03 -0.19 -0.11 -0.89 0.24 0.00 0.00 174.94 174.02 3kqz s THR 446 N -2.73 1.33 0.81 8.37 2.01 -1.26 0.07 115.64 124.23 3kqz s THR 446 Ca 0.32 -0.53 -0.12 0.00 0.31 0.00 0.00 61.69 61.67 3kqz s THR 446 Cb 0.04 -1.32 0.08 0.00 0.01 0.00 0.00 72.50 71.31 3kqz s THR 446 CO 0.16 0.37 1.15 0.00 -0.69 0.00 0.00 174.62 175.61 3kqz s ALA 447 N 1.58 2.50 -0.59 7.40 0.00 -0.09 -1.96 121.76 130.60 3kqz s ALA 447 Ca 0.04 -0.56 0.22 0.00 0.00 0.00 0.00 51.96 51.67 3kqz s ALA 447 Cb -0.13 -2.99 0.91 0.00 0.00 0.00 0.00 23.12 20.91 3kqz s ALA 447 CO -0.09 -1.71 1.67 -1.13 0.00 0.00 0.00 175.76 174.49 3kqz n SER 448 N -3.36 0.54 -0.97 0.00 3.41 -1.02 -0.98 113.62 111.24 3kqz n SER 448 Ca 0.07 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 3kqz n SER 448 Cb 0.60 -0.75 0.20 0.00 -0.26 0.00 0.00 64.21 64.01 3kqz n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kqz n ASN 449 N -2.09 2.80 0.00 4.04 6.94 -1.26 -4.93 115.26 120.75 3kqz n ASN 449 Ca 0.02 -2.20 0.00 0.00 -0.02 0.00 0.00 54.58 52.38 3kqz n ASN 449 Cb 0.22 -0.40 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 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 0.86 2.24 3.71 4.83 0.00 -0.15 -5.02 105.19 111.66 3kqz n GLY 450 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.44 4.33 0.15 1.61 1.02 -1.26 -4.76 119.74 120.40 3kqz s LYS 451 Ca 0.00 1.98 -0.25 0.00 0.02 0.00 0.00 55.97 57.72 3kqz s LYS 451 Cb 0.00 -3.38 -0.08 0.00 -0.52 0.00 0.00 37.83 33.85 3kqz s LYS 451 CO 0.00 -0.45 0.76 0.95 -0.92 0.00 0.00 175.35 175.69 3kqz s THR 452 N 1.55 4.42 -0.10 2.17 -4.23 -1.26 -0.91 115.64 117.28 3kqz s THR 452 Ca 0.63 1.66 0.02 0.00 -1.18 0.00 0.00 61.69 62.82 3kqz s THR 452 Cb -0.34 -4.12 0.01 0.00 1.34 0.00 0.00 72.50 69.40 3kqz s THR 452 CO 0.29 0.51 -0.15 -0.63 -0.54 0.00 0.00 174.62 174.10 3kqz s ILE 453 N -1.06 1.42 -0.38 2.99 1.01 0.11 -1.90 121.20 123.39 3kqz s ILE 453 Ca 0.35 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.16 3kqz s ILE 453 Cb -0.23 -1.30 0.01 0.00 0.01 0.00 0.00 42.46 40.96 3kqz s ILE 453 CO 0.25 0.42 0.79 -0.70 0.00 0.00 0.00 174.94 175.71 3kqz s GLU 454 N 0.89 3.68 0.03 2.79 2.12 -0.32 -0.76 118.70 127.12 3kqz s GLU 454 Ca -0.09 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.17 3kqz s GLU 454 Cb -0.15 -3.84 -0.07 0.00 0.26 0.00 0.00 34.13 30.33 3kqz s GLU 454 CO 0.00 -0.92 1.61 0.08 -0.54 0.00 0.00 175.26 175.50 3kqz s VAL 455 N 3.18 3.28 -0.04 3.70 1.01 0.11 -1.81 120.40 129.82 3kqz s VAL 455 Ca 0.31 0.64 0.15 0.00 0.00 0.00 0.00 61.98 63.08 3kqz s VAL 455 Cb -0.13 -3.41 -0.22 0.00 0.00 0.00 0.00 36.38 32.62 3kqz s VAL 455 CO 0.18 -0.02 0.28 0.61 0.00 0.00 0.00 175.10 176.15 3kqz n GLY 456 N 3.97 -0.69 3.42 4.51 0.00 -1.26 0.64 105.19 115.78 3kqz n GLY 456 Ca 0.16 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 3kqz n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kqz s ASN 457 N -3.95 -0.76 0.11 1.61 3.84 -1.26 -4.77 114.94 109.76 3kqz s ASN 457 Ca -0.06 1.22 0.16 0.00 0.21 0.00 0.00 52.86 54.39 3kqz s ASN 457 Cb 0.09 1.88 0.69 0.00 -0.55 0.00 0.00 41.25 43.36 3kqz s ASN 457 CO 0.62 -0.23 1.49 0.35 -2.79 0.00 0.00 177.10 176.54 3kqz n THR 458 N 5.42 1.11 1.01 -5.21 -2.24 -1.26 -0.17 114.28 112.94 3kqz n THR 458 Ca -0.09 0.33 0.12 0.00 -2.27 0.00 0.00 64.05 62.14 3kqz n THR 458 Cb 0.49 -1.21 0.30 0.00 -2.10 0.00 0.00 70.33 67.82 3kqz n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kqz n ASP 459 N -1.81 0.46 -1.38 3.42 2.03 -0.99 -3.46 116.55 114.83 3kqz n ASP 459 Ca 0.02 -0.18 0.00 0.00 0.52 0.00 0.00 54.79 55.15 3kqz n ASP 459 Cb 0.15 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 -1.47 3.55 0.18 -1.67 0.00 0.76 -4.56 120.51 117.31 3kqz n ALA 460 Ca 0.06 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.55 3kqz n ALA 460 Cb 0.34 -1.02 0.27 0.00 0.00 0.00 0.00 19.45 19.04 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 0.81 0.00 0.12 0.00 9.09 -1.76 -3.33 114.58 119.51 3kqz h GLU 461 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 3kqz h GLU 461 Cb 0.97 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.07 3kqz h GLU 461 CO 0.00 0.40 -0.06 0.78 0.05 0.00 0.00 179.01 180.18 3kqz h GLY 462 N 2.38 -0.17 0.98 1.06 0.00 -1.91 -1.49 103.07 103.91 3kqz h GLY 462 Ca -0.00 0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.49 3kqz h GLY 462 CO 0.05 -0.06 0.43 0.07 0.00 0.00 0.00 176.54 177.03 3kqz h ARG 463 N -0.25 0.43 -0.36 4.80 0.11 -1.95 0.40 114.38 117.57 3kqz h ARG 463 Ca -0.02 -0.03 -0.10 0.00 0.10 0.00 0.00 59.98 59.94 3kqz h ARG 463 Cb 0.20 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.17 3kqz h ARG 463 CO 0.03 0.28 -0.15 -0.07 0.10 0.00 0.00 179.97 180.16 3kqz h LEU 464 N 0.44 0.75 -0.58 0.08 3.38 -1.49 0.12 115.31 118.02 3kqz h LEU 464 Ca 0.30 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3kqz h LEU 464 Cb 0.57 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3kqz h LEU 464 CO -0.09 0.98 -0.39 0.71 0.09 0.00 0.00 178.44 179.75 3kqz h THR 465 N 0.52 1.29 -0.46 0.22 1.35 -0.28 -3.08 112.91 112.46 3kqz h THR 465 Ca 0.08 -1.56 -0.05 0.00 -0.55 0.00 0.00 66.41 64.34 3kqz h THR 465 Cb 0.69 1.48 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 3kqz h THR 465 CO 0.05 0.50 0.11 -0.07 -0.25 0.00 0.00 175.52 175.86 3kqz h LEU 466 N 0.58 0.70 -0.59 3.87 3.38 -0.18 -1.84 115.31 121.22 3kqz h LEU 466 Ca 0.05 -0.23 0.11 0.00 0.09 0.00 0.00 57.88 57.90 3kqz h LEU 466 Cb 0.92 -0.19 -0.12 0.00 0.09 0.00 0.00 40.66 41.37 3kqz h LEU 466 CO 0.08 0.75 -0.26 0.00 0.09 0.00 0.00 178.44 179.11 3kqz h ALA 467 N 0.98 0.15 -0.27 1.53 0.00 -0.67 0.65 119.26 121.62 3kqz h ALA 467 Ca 0.15 0.20 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 3kqz h ALA 467 Cb 0.32 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3kqz h ALA 467 CO 0.00 -0.57 -0.40 -0.44 0.00 0.00 0.00 179.25 177.84 3kqz h ASP 468 N -0.10 0.67 -0.78 0.00 3.32 -1.44 -1.80 116.42 116.28 3kqz h ASP 468 Ca 0.26 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 57.04 3kqz h ASP 468 Cb 0.52 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3kqz h ASP 468 CO -0.66 0.99 0.52 0.00 -1.72 0.00 0.00 179.24 178.37 3kqz h ALA 469 N 1.04 1.50 0.07 3.45 0.00 -0.30 -1.48 119.26 123.55 3kqz h ALA 469 Ca 0.04 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.63 3kqz h ALA 469 Cb 0.92 -0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.44 3kqz h ALA 469 CO 0.08 0.44 -1.15 -0.07 0.00 0.00 0.00 179.25 178.55 3kqz h LEU 470 N 1.00 0.82 -0.52 0.00 3.38 0.49 -0.12 115.31 120.36 3kqz h LEU 470 Ca 0.30 -0.72 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3kqz h LEU 470 Cb -0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3kqz h LEU 470 CO -0.08 1.52 0.30 0.58 0.09 0.00 0.00 178.44 180.86 3kqz h VAL 471 N 0.29 1.03 -0.47 1.22 2.07 -1.02 0.62 116.25 120.00 3kqz h VAL 471 Ca -0.15 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 3kqz h VAL 471 Cb 1.81 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3kqz h VAL 471 CO 0.22 0.11 0.21 0.22 0.02 0.00 0.00 177.57 178.34 3kqz h TYR 472 N 0.60 0.69 -0.50 1.57 3.20 -1.11 -1.85 116.97 119.57 3kqz h TYR 472 Ca 0.22 -0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.06 3kqz h TYR 472 Cb 0.05 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 3kqz h TYR 472 CO -0.07 0.57 0.31 0.00 -1.64 0.00 0.00 178.16 177.32 3kqz h ALA 473 N 1.05 0.64 -0.17 1.82 0.00 -0.59 -2.60 119.26 119.41 3kqz h ALA 473 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 3kqz h ALA 473 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kqz h ALA 473 CO -0.02 0.02 -0.39 1.49 0.00 0.00 0.00 179.25 180.36 3kqz h GLU 474 N 0.62 0.37 0.00 0.00 4.81 -0.45 -0.56 114.58 119.37 3kqz h GLU 474 Ca 0.19 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3kqz h GLU 474 Cb -0.01 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3kqz h GLU 474 CO -0.07 0.71 0.00 0.87 -0.73 0.00 0.00 179.01 179.79 3kqz h LYS 475 N 0.31 0.00 0.00 1.92 1.57 -0.97 -2.09 116.57 117.32 3kqz h LYS 475 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kqz h LYS 475 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 3kqz h LYS 475 CO 0.07 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3kqz n LEU 476 N -2.32 0.00 -2.51 2.94 4.77 -0.22 -4.91 117.00 114.75 3kqz n LEU 476 Ca 0.01 0.36 -0.09 0.00 -0.03 0.00 0.00 56.01 56.26 3kqz n LEU 476 Cb 0.21 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.98 3kqz n LEU 476 CO 0.19 -0.16 0.03 0.61 -1.33 0.00 0.00 177.39 176.73 3kqz n GLY 477 N 0.15 -0.24 3.78 -0.72 0.00 -0.78 -5.02 105.19 102.35 3kqz n GLY 477 Ca 0.07 0.13 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3kqz n GLY 477 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqz s VAL 478 N -3.23 4.26 -0.04 1.61 0.11 -1.26 -4.95 120.40 116.90 3kqz s VAL 478 Ca 0.20 -1.37 -0.15 0.00 -2.93 0.00 0.00 61.98 57.73 3kqz s VAL 478 Cb -0.03 -3.24 -0.32 0.00 -1.53 0.00 0.00 36.38 31.27 3kqz s VAL 478 CO 0.44 -0.25 0.78 0.44 -3.33 0.00 0.00 175.10 173.18 3kqz h ASP 479 N 1.96 0.62 -4.03 3.54 3.32 -0.40 -3.47 116.42 117.97 3kqz h ASP 479 Ca -0.48 -0.92 -0.40 0.00 0.02 0.00 0.00 57.03 55.25 3kqz h ASP 479 Cb 1.22 -0.20 -0.29 0.00 0.22 0.00 0.00 39.33 40.28 3kqz h ASP 479 CO 0.61 1.67 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.71 3kqz s TYR 480 N -2.54 0.86 -0.17 4.55 2.02 -1.07 -3.64 117.35 117.36 3kqz s TYR 480 Ca -0.14 -0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.39 3kqz s TYR 480 Cb 0.04 -0.56 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 3kqz s TYR 480 CO 0.86 -0.02 -0.17 0.42 -1.57 0.00 0.00 175.55 175.07 3kqz s ILE 481 N -0.18 2.45 -0.16 2.71 1.01 -0.47 -0.58 121.20 125.99 3kqz s ILE 481 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.86 3kqz s ILE 481 Cb -0.04 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.42 3kqz s ILE 481 CO -0.00 0.52 -0.14 -0.69 0.00 0.00 0.00 174.94 174.63 3kqz s VAL 482 N 1.06 1.62 0.09 2.92 1.01 -0.33 -1.34 120.40 125.42 3kqz s VAL 482 Ca -0.01 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3kqz s VAL 482 Cb -0.14 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 3kqz s VAL 482 CO -0.05 0.41 0.15 1.51 0.00 0.00 0.00 175.10 177.13 3kqz s ASP 483 N 1.46 5.92 -0.02 3.32 1.47 0.10 -0.59 116.67 128.32 3kqz s ASP 483 Ca 0.04 0.10 0.03 0.00 1.18 0.00 0.00 52.55 53.90 3kqz s ASP 483 Cb -0.13 -1.70 -0.00 0.00 -0.34 0.00 0.00 42.92 40.74 3kqz s ASP 483 CO -0.10 0.15 -0.11 -0.51 0.68 0.00 0.00 175.17 175.28 3kqz s ILE 484 N -1.50 0.89 -0.26 2.11 2.07 0.19 -0.95 121.20 123.74 3kqz s ILE 484 Ca 0.32 -0.45 -0.25 0.00 -1.41 0.00 0.00 60.65 58.86 3kqz s ILE 484 Cb -0.12 -0.76 0.09 0.00 0.13 0.00 0.00 42.46 41.80 3kqz s ILE 484 CO 0.25 0.26 0.86 0.00 -1.91 0.00 0.00 174.94 174.41 3kqz s ALA 485 N -0.03 -1.87 -1.25 1.50 0.00 -0.75 -1.54 121.76 117.82 3kqz s ALA 485 Ca 0.00 1.92 -0.17 0.00 0.00 0.00 0.00 51.96 53.71 3kqz s ALA 485 Cb -0.07 -1.22 0.10 0.00 0.00 0.00 0.00 23.12 21.93 3kqz s ALA 485 CO 0.00 -0.30 1.61 0.95 0.00 0.00 0.00 175.76 178.03 3kqz s THR 486 N 0.19 4.44 -0.18 0.00 -4.23 -1.26 -0.42 115.64 114.18 3kqz s THR 486 Ca 0.01 -2.11 -0.16 0.00 -1.18 0.00 0.00 61.69 58.25 3kqz s THR 486 Cb -0.05 -5.09 -0.12 0.00 1.34 0.00 0.00 72.50 68.59 3kqz s THR 486 CO -0.02 -1.88 0.03 -0.11 -0.54 0.00 0.00 174.62 172.11 3kqz n LEU 487 N 7.44 1.84 -4.00 4.79 7.94 -1.26 -4.72 117.00 129.03 3kqz n LEU 487 Ca 0.44 0.52 -0.27 0.00 -1.11 0.00 0.00 56.01 55.59 3kqz n LEU 487 Cb 0.45 -0.92 -0.17 0.00 0.53 0.00 0.00 43.42 43.31 3kqz n LEU 487 CO 0.71 -0.06 -0.47 0.42 -1.11 0.00 0.00 177.39 176.88 3kqz s THR 488 N -2.31 1.25 0.57 1.96 -4.23 -1.26 -4.96 115.64 106.67 3kqz s THR 488 Ca -0.23 -0.49 0.29 0.00 -1.18 0.00 0.00 61.69 60.08 3kqz s THR 488 Cb 0.04 -1.18 0.40 0.00 1.34 0.00 0.00 72.50 73.10 3kqz s THR 488 CO 0.42 0.39 1.92 1.23 -0.54 0.00 0.00 174.62 178.05 3kqz h GLY 489 N 7.50 0.00 1.22 3.99 0.00 -1.93 -0.61 103.07 113.25 3kqz h GLY 489 Ca -0.31 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.05 3kqz h GLY 489 CO 0.47 0.00 0.36 0.00 0.00 0.00 0.00 176.54 177.37 3kqz h ALA 490 N 1.53 1.53 -0.00 3.60 0.00 -1.96 0.22 119.26 124.18 3kqz h ALA 490 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kqz h ALA 490 Cb 1.18 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3kqz h ALA 490 CO -0.00 -0.41 0.00 0.52 0.00 0.00 0.00 179.25 179.36 3kqz h MET 491 N 0.00 0.00 0.00 0.00 2.86 -1.49 -0.33 114.93 115.96 3kqz h MET 491 Ca 0.05 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3kqz h MET 491 Cb 0.77 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 3kqz h MET 491 CO -0.00 0.00 -0.12 -0.07 1.06 0.00 0.00 176.91 177.78 3kqz h LEU 492 N 0.00 0.00 0.00 1.22 3.38 -1.17 0.53 115.31 119.28 3kqz h LEU 492 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kqz h LEU 492 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3kqz h LEU 492 CO -0.00 0.12 -1.33 -1.22 0.09 0.00 0.00 178.44 176.09 3kqz n TYR 493 N -3.38 0.23 -0.11 1.13 4.02 -0.21 -3.71 117.16 115.13 3kqz n TYR 493 Ca -0.01 0.07 -0.17 0.00 -0.01 0.00 0.00 57.90 57.77 3kqz n TYR 493 Cb 0.30 -0.46 -0.06 0.00 -0.02 0.00 0.00 39.34 39.10 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 -2.08 1.92 -0.00 7.72 3.41 -0.76 -4.81 113.62 119.02 3kqz n SER 494 Ca 0.00 0.38 0.01 0.00 -0.26 0.00 0.00 58.87 59.00 3kqz n SER 494 Cb 0.48 -0.81 -0.01 0.00 -0.26 0.00 0.00 64.21 63.60 3kqz n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kqz n LEU 495 N -4.40 0.00 0.00 1.04 4.77 -0.24 -5.10 117.00 113.07 3kqz n LEU 495 Ca -0.30 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3kqz n LEU 495 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3kqz n LEU 495 CO 0.13 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 3kqz n GLY 496 N 2.43 0.29 0.17 -0.72 0.00 0.01 -4.36 105.19 103.01 3kqz n GLY 496 Ca -0.00 -1.10 0.10 0.00 0.00 0.00 0.00 46.02 45.02 3kqz n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kqz n THR 497 N 0.00 0.00 -0.10 2.61 -2.24 -1.26 -4.27 114.28 109.02 3kqz n THR 497 Ca 0.00 -0.09 -0.24 0.00 -2.27 0.00 0.00 64.05 61.45 3kqz n THR 497 Cb 0.00 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.00 1.96 -4.57 3.42 7.64 -1.26 -4.32 113.62 115.48 3kqz n SER 498 Ca 0.06 0.27 -0.34 0.00 1.01 0.00 0.00 58.87 59.87 3kqz n SER 498 Cb 0.38 -0.82 -0.11 0.00 -1.01 0.00 0.00 64.21 62.65 3kqz n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kqz s TYR 499 N -2.47 3.10 0.63 1.43 4.12 -1.26 -4.53 117.35 118.36 3kqz s TYR 499 Ca -0.32 -0.11 -0.12 0.00 0.02 0.00 0.00 57.07 56.54 3kqz s TYR 499 Cb 0.09 -1.94 -0.03 0.00 -1.52 0.00 0.00 41.96 38.56 3kqz s TYR 499 CO 0.59 0.12 1.03 0.00 0.02 0.00 0.00 175.55 177.31 3kqz s ALA 500 N 0.07 2.96 -0.02 3.71 0.00 -0.75 -4.54 121.76 123.19 3kqz s ALA 500 Ca 0.01 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3kqz s ALA 500 Cb -0.13 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.84 3kqz s ALA 500 CO 0.02 -0.78 -0.01 0.20 0.00 0.00 0.00 175.76 175.19 3kqz s GLY 501 N -3.86 1.85 -0.04 0.00 0.00 -1.07 -0.66 107.32 103.55 3kqz s GLY 501 Ca 0.57 -0.92 0.06 0.00 0.00 0.00 0.00 44.72 44.43 3kqz s GLY 501 CO 0.50 -0.76 -0.23 0.54 0.00 0.00 0.00 173.10 173.16 3kqz s VAL 502 N -1.02 1.83 0.12 1.40 0.11 0.58 -0.05 120.40 123.36 3kqz s VAL 502 Ca 0.18 -0.96 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 3kqz s VAL 502 Cb -0.11 -1.54 -0.04 0.00 -1.53 0.00 0.00 36.38 33.16 3kqz s VAL 502 CO 0.08 0.51 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.85 3kqz s PHE 503 N -0.26 1.46 0.22 1.54 0.08 0.23 -0.41 117.98 120.84 3kqz s PHE 503 Ca 0.01 -0.52 -0.22 0.00 0.12 0.00 0.00 56.93 56.33 3kqz s PHE 503 Cb -0.11 -0.77 0.07 0.00 -0.57 0.00 0.00 43.02 41.63 3kqz s PHE 503 CO 0.02 0.16 0.96 0.20 -0.10 0.00 0.00 175.22 176.46 3kqz s GLY 504 N -2.31 0.08 0.00 4.36 0.00 -1.26 -0.04 107.32 108.15 3kqz s GLY 504 Ca 0.08 -0.31 0.20 0.00 0.00 0.00 0.00 44.72 44.69 3kqz s GLY 504 CO 0.03 1.27 1.32 1.16 0.00 0.00 0.00 173.10 176.89 3kqz n ASN 505 N -1.07 3.24 -3.69 1.64 0.23 -0.64 -4.80 115.26 110.17 3kqz n ASN 505 Ca -0.05 -1.93 -0.15 0.00 -0.53 0.00 0.00 54.58 51.92 3kqz n ASN 505 Cb 0.60 -0.23 -0.15 0.00 -2.08 0.00 0.00 39.78 37.92 3kqz n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kqz s ASN 506 N -1.34 0.43 0.23 0.53 3.84 -1.26 -4.88 114.94 112.49 3kqz s ASN 506 Ca 0.34 0.34 -0.03 0.00 0.21 0.00 0.00 52.86 53.72 3kqz s ASN 506 Cb 0.20 0.28 0.24 0.00 -0.55 0.00 0.00 41.25 41.42 3kqz s ASN 506 CO 0.28 -0.21 1.67 -0.08 -2.79 0.00 0.00 177.10 175.97 3kqz h GLU 507 N 7.98 0.76 -0.41 0.43 4.81 -1.96 -1.21 114.58 124.98 3kqz h GLU 507 Ca -0.23 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.66 3kqz h GLU 507 Cb 1.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 3kqz h GLU 507 CO 0.24 0.87 -0.00 0.93 -0.73 0.00 0.00 179.01 180.32 3kqz h GLU 508 N 0.67 0.72 -0.20 1.92 3.07 -1.98 0.01 114.58 118.79 3kqz h GLU 508 Ca 0.11 -0.23 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 3kqz h GLU 508 Cb 0.65 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 3kqz h GLU 508 CO 0.05 0.81 0.07 1.25 -1.40 0.00 0.00 179.01 179.78 3kqz h LEU 509 N 0.55 0.28 -0.61 1.33 5.85 -1.94 -0.00 115.31 120.78 3kqz h LEU 509 Ca 0.12 -0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.75 3kqz h LEU 509 Cb 0.48 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 3kqz h LEU 509 CO 0.02 0.39 0.21 0.40 -0.34 0.00 0.00 178.44 179.12 3kqz h ILE 510 N 0.16 0.73 -0.41 4.05 2.04 -0.99 -1.10 117.51 121.99 3kqz h ILE 510 Ca 0.07 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 3kqz h ILE 510 Cb 0.20 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3kqz h ILE 510 CO -0.00 0.07 0.13 0.78 0.00 0.00 0.00 178.15 179.12 3kqz h ASN 511 N 0.37 0.53 -0.44 1.72 2.35 -0.43 0.21 115.58 119.89 3kqz h ASN 511 Ca 0.32 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.90 3kqz h ASN 511 Cb 0.42 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3kqz h ASN 511 CO -0.34 0.52 -0.10 0.11 -1.65 0.00 0.00 177.43 175.97 3kqz h LYS 512 N 0.58 0.85 -0.92 0.81 1.57 -0.11 0.33 116.57 119.68 3kqz h LYS 512 Ca 0.14 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3kqz h LYS 512 Cb 0.18 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 3kqz h LYS 512 CO -0.01 0.95 0.55 0.82 -0.57 0.00 0.00 179.45 181.19 3kqz h ILE 513 N 0.68 1.25 -0.22 1.86 1.08 -0.49 0.28 117.51 121.95 3kqz h ILE 513 Ca 0.11 -0.56 -0.09 0.00 -0.39 0.00 0.00 64.86 63.93 3kqz h ILE 513 Cb 0.63 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3kqz h ILE 513 CO 0.04 0.27 -0.26 -0.07 -0.69 0.00 0.00 178.15 177.44 3kqz h LEU 514 N 1.27 0.42 -0.54 1.44 3.38 -0.55 0.16 115.31 120.89 3kqz h LEU 514 Ca 0.33 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 3kqz h LEU 514 Cb -0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3kqz h LEU 514 CO -0.06 0.68 -0.51 -0.61 0.09 0.00 0.00 178.44 178.03 3kqz h GLN 515 N 0.38 0.59 0.00 1.13 5.75 -0.48 -1.49 115.11 120.98 3kqz h GLN 515 Ca 0.06 -0.35 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 3kqz h GLN 515 Cb 0.66 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.23 3kqz h GLN 515 CO 0.05 0.96 -0.34 0.77 -2.65 0.00 0.00 178.83 177.62 3kqz h SER 516 N 0.46 0.00 -0.28 -0.69 0.02 -0.32 -0.78 113.55 111.97 3kqz h SER 516 Ca 0.02 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3kqz h SER 516 Cb 1.05 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3kqz h SER 516 CO 0.10 0.34 0.02 -1.28 -1.14 0.00 0.00 176.83 174.87 3kqz h SER 517 N 0.00 0.47 -0.01 3.07 0.87 -0.45 0.31 113.55 117.81 3kqz h SER 517 Ca -0.00 -0.29 -0.11 0.00 -1.23 0.00 0.00 61.79 60.16 3kqz h SER 517 Cb 1.06 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.89 3kqz h SER 517 CO 0.04 0.64 -0.31 0.50 -0.53 0.00 0.00 176.83 177.17 3kqz h LYS 518 N 0.28 0.46 0.00 2.24 3.64 -0.92 -2.24 116.57 120.03 3kqz h LYS 518 Ca 0.08 -0.19 -0.11 0.00 -1.27 0.00 0.00 60.65 59.16 3kqz h LYS 518 Cb 0.39 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 3kqz h LYS 518 CO 0.01 0.72 -0.88 1.79 -2.27 0.00 0.00 179.45 178.82 3kqz h THR 519 N 0.40 0.56 0.00 1.00 1.35 -0.94 -3.23 112.91 112.05 3kqz h THR 519 Ca 0.05 -1.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.01 3kqz h THR 519 Cb 0.74 2.13 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3kqz h THR 519 CO 0.06 0.32 -0.41 -1.54 -0.25 0.00 0.00 175.52 173.70 3kqz n SER 520 N -3.02 0.50 -3.06 5.36 3.41 0.11 -4.88 113.62 112.03 3kqz n SER 520 Ca -0.03 0.08 -0.22 0.00 -0.26 0.00 0.00 58.87 58.44 3kqz n SER 520 Cb 0.74 -0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.70 3kqz n SER 520 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3kqz n ASN 521 N -1.76 -4.92 -4.14 4.04 3.02 -0.86 -4.84 115.26 105.79 3kqz n ASN 521 Ca 0.05 -0.26 -0.37 0.00 -0.03 0.00 0.00 54.58 53.97 3kqz n ASN 521 Cb 0.38 -4.03 -0.11 0.00 -0.61 0.00 0.00 39.78 35.41 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 -5.72 2.12 0.11 3.52 2.02 -1.10 -4.94 118.70 114.72 3kqz s GLU 522 Ca 0.29 -1.75 -0.31 0.00 0.02 0.00 0.00 54.97 53.22 3kqz s GLU 522 Cb -0.14 -3.60 -0.09 0.00 0.10 0.00 0.00 34.13 30.40 3kqz s GLU 522 CO 0.36 -1.04 1.53 -1.25 0.02 0.00 0.00 175.26 174.88 3kqz s PRO 523 N 1.19 4.24 0.05 0.39 0.04 -1.26 -4.56 135.00 135.09 3kqz s PRO 523 Ca 0.07 2.25 0.07 0.00 0.04 0.00 0.00 61.00 63.43 3kqz s PRO 523 Cb -0.23 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 30.96 3kqz s PRO 523 CO -0.03 -0.60 -0.19 0.08 0.04 0.00 0.00 177.00 176.30 3kqz s VAL 524 N 1.64 1.55 -0.02 -0.36 1.01 -1.26 -1.81 120.40 121.14 3kqz s VAL 524 Ca 0.69 -1.21 0.05 0.00 0.00 0.00 0.00 61.98 61.52 3kqz s VAL 524 Cb -0.40 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3kqz s VAL 524 CO 0.31 0.12 -0.18 0.86 0.00 0.00 0.00 175.10 176.21 3kqz s TRP 525 N -0.87 1.68 -0.12 5.22 -0.11 0.17 -4.91 118.94 120.00 3kqz s TRP 525 Ca 0.06 -0.38 -0.29 0.00 1.22 0.00 0.00 56.10 56.71 3kqz s TRP 525 Cb -0.09 -1.10 -0.01 0.00 -1.50 0.00 0.00 33.47 30.77 3kqz s TRP 525 CO 0.02 -0.08 1.00 -0.46 -4.62 0.00 0.00 176.95 172.82 3kqz s TRP 526 N -0.27 3.49 0.17 5.86 -0.00 -1.26 -0.31 118.94 126.62 3kqz s TRP 526 Ca 0.03 1.56 0.11 0.00 -0.00 0.00 0.00 56.10 57.81 3kqz s TRP 526 Cb -0.09 -3.19 -0.04 0.00 -0.00 0.00 0.00 33.47 30.15 3kqz s TRP 526 CO 0.00 -0.26 -0.25 -0.51 -0.00 0.00 0.00 176.95 175.94 3kqz s LEU 527 N 2.16 2.42 0.34 5.86 1.43 0.45 -4.88 118.68 126.46 3kqz s LEU 527 Ca 0.47 -0.81 -0.14 0.00 -1.03 0.00 0.00 54.13 52.62 3kqz s LEU 527 Cb -0.18 -1.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 3kqz s LEU 527 CO 0.16 0.14 0.75 -2.16 0.23 0.00 0.00 176.35 175.47 3kqz s PRO 528 N -2.44 3.97 -0.53 1.29 0.04 -1.26 -4.33 135.00 131.74 3kqz s PRO 528 Ca 0.18 0.65 -0.19 0.00 0.04 0.00 0.00 61.00 61.68 3kqz s PRO 528 Cb -0.09 -2.41 0.07 0.00 0.04 0.00 0.00 34.50 32.11 3kqz s PRO 528 CO 0.09 0.11 0.65 0.42 0.04 0.00 0.00 177.00 178.30 3kqz s ILE 529 N -2.06 4.86 -0.44 0.56 1.01 -1.26 -4.81 121.20 119.05 3kqz s ILE 529 Ca 0.54 -0.62 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 3kqz s ILE 529 Cb -0.10 -4.35 0.02 0.00 0.01 0.00 0.00 42.46 38.04 3kqz s ILE 529 CO 0.20 -0.89 0.91 -0.63 0.00 0.00 0.00 174.94 174.53 3kqz s ILE 530 N 2.65 4.51 0.34 2.92 1.01 -1.26 -4.89 121.20 126.48 3kqz s ILE 530 Ca 0.14 0.82 0.18 0.00 0.00 0.00 0.00 60.65 61.79 3kqz s ILE 530 Cb -0.20 -4.40 0.16 0.00 0.01 0.00 0.00 42.46 38.02 3kqz s ILE 530 CO 0.10 -0.75 1.87 0.78 0.00 0.00 0.00 174.94 176.94 3kqz h ASN 531 N 8.93 0.00 -0.17 3.58 2.35 -1.99 -2.48 115.58 125.80 3kqz h ASN 531 Ca -0.24 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.56 3kqz h ASN 531 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3kqz h ASN 531 CO 1.01 0.30 0.32 -0.08 -1.65 0.00 0.00 177.43 177.33 3kqz h GLU 532 N 0.00 0.00 -0.01 0.81 4.81 -2.05 -0.65 114.58 117.50 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 0.62 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3kqz h GLU 532 CO 0.04 0.00 -0.07 0.66 -0.73 0.00 0.00 179.01 178.91 3kqz n TYR 533 N -3.35 0.00 -0.19 0.92 0.53 -0.93 -4.15 117.16 110.00 3kqz n TYR 533 Ca 0.02 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.81 3kqz n TYR 533 Cb 0.42 -0.11 0.01 0.00 -1.03 0.00 0.00 39.34 38.64 3kqz n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kqz h ARG 534 N 0.82 0.81 -1.02 -0.72 9.65 -1.30 -2.33 114.38 120.29 3kqz h ARG 534 Ca 0.00 -0.17 0.25 0.00 -1.10 0.00 0.00 59.98 58.96 3kqz h ARG 534 Cb 0.32 -0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 28.68 3kqz h ARG 534 CO 0.00 0.74 0.65 0.00 2.80 0.00 0.00 179.97 184.15 3kqz h ALA 535 N 1.04 2.11 0.00 2.80 0.00 -1.78 0.19 119.26 123.61 3kqz h ALA 535 Ca 0.17 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kqz h ALA 535 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3kqz h ALA 535 CO -0.01 -0.50 0.00 0.25 0.00 0.00 0.00 179.25 178.99 3kqz n THR 536 N -4.66 0.10 0.24 0.00 -2.24 -0.87 -0.75 114.28 106.09 3kqz n THR 536 Ca 0.25 0.03 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 3kqz n THR 536 Cb 0.80 -0.76 0.22 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.05 3.47 -4.66 3.22 4.77 0.67 -4.29 117.00 119.12 3kqz n LEU 537 Ca 0.12 -1.54 -0.43 0.00 -0.03 0.00 0.00 56.01 54.13 3kqz n LEU 537 Cb 0.07 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3kqz n LEU 537 CO 0.10 0.76 1.22 0.20 -1.33 0.00 0.00 177.39 178.34 3kqz s ASN 538 N -1.42 6.80 -0.09 -1.43 0.01 0.07 0.89 114.94 119.76 3kqz s ASN 538 Ca 0.38 1.93 -0.09 0.00 -0.71 0.00 0.00 52.86 54.38 3kqz s ASN 538 Cb 0.22 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 3kqz s ASN 538 CO 0.31 -0.85 0.20 -0.55 -1.51 0.00 0.00 177.10 174.70 3kqz s SER 539 N 2.67 6.48 0.52 -1.22 0.15 -1.26 -4.75 113.70 116.30 3kqz s SER 539 Ca 0.64 0.58 0.17 0.00 0.70 0.00 0.00 55.95 58.04 3kqz s SER 539 Cb -0.27 -2.11 1.29 0.00 -1.71 0.00 0.00 66.02 63.22 3kqz s SER 539 CO 0.22 0.38 2.14 0.50 1.20 0.00 0.00 173.24 177.68 3kqz h LYS 540 N 4.95 0.00 0.00 5.44 1.63 -1.96 -3.38 116.57 123.25 3kqz h LYS 540 Ca -0.54 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.14 3kqz h LYS 540 Cb 1.23 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 3kqz h LYS 540 CO 0.59 0.03 -1.43 0.66 -3.45 0.00 0.00 179.45 175.85 3kqz n TYR 541 N -4.43 0.00 -2.57 1.91 4.01 -1.26 -5.06 117.16 109.75 3kqz n TYR 541 Ca -0.03 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.49 3kqz n TYR 541 Cb 0.11 -0.28 0.11 0.00 -0.31 0.00 0.00 39.34 38.98 3kqz n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kqz n ALA 542 N -3.07 0.15 0.06 -0.72 0.00 -1.26 -4.99 120.51 110.67 3kqz n ALA 542 Ca -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 53.44 51.42 3kqz n ALA 542 Cb 0.62 0.30 0.18 0.00 0.00 0.00 0.00 19.45 20.55 3kqz n ALA 542 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kqz h ASP 543 N -0.59 0.37 -5.02 0.00 3.32 -1.70 -3.38 116.42 109.43 3kqz h ASP 543 Ca -0.31 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 3kqz h ASP 543 Cb 1.15 -0.10 -0.18 0.00 0.22 0.00 0.00 39.33 40.42 3kqz h ASP 543 CO 0.33 0.75 -0.06 -0.51 -1.72 0.00 0.00 179.24 178.03 3kqz s ILE 544 N -4.18 0.04 0.26 0.35 2.07 -0.84 -4.39 121.20 114.51 3kqz s ILE 544 Ca -0.06 -0.35 -0.15 0.00 -1.41 0.00 0.00 60.65 58.69 3kqz s ILE 544 Cb 0.13 -0.90 -0.08 0.00 0.13 0.00 0.00 42.46 41.74 3kqz s ILE 544 CO 0.79 -0.19 0.67 0.20 -1.91 0.00 0.00 174.94 174.50 3kqz s ASN 545 N -1.74 6.81 0.18 4.50 0.01 0.26 -1.18 114.94 123.79 3kqz s ASN 545 Ca -0.08 1.22 -0.00 0.00 -0.71 0.00 0.00 52.86 53.29 3kqz s ASN 545 Cb -0.02 -2.34 0.08 0.00 0.41 0.00 0.00 41.25 39.38 3kqz s ASN 545 CO 0.01 -0.09 1.44 -0.61 -1.51 0.00 0.00 177.10 176.34 3kqz h GLN 546 N 2.72 0.36 -5.23 -0.60 4.15 -1.68 -3.46 115.11 111.37 3kqz h GLN 546 Ca -0.48 -0.30 -0.39 0.00 0.77 0.00 0.00 58.65 58.26 3kqz h GLN 546 Cb 1.18 0.06 -0.14 0.00 0.21 0.00 0.00 27.48 28.79 3kqz h GLN 546 CO 0.66 0.94 -0.70 0.96 -1.93 0.00 0.00 178.83 178.76 3kqz s ILE 547 N -3.59 1.31 -0.05 2.39 -4.36 -1.26 -4.89 121.20 110.76 3kqz s ILE 547 Ca -0.05 -2.09 -0.21 0.00 -0.26 0.00 0.00 60.65 58.04 3kqz s ILE 547 Cb 0.11 -2.10 -0.05 0.00 1.25 0.00 0.00 42.46 41.66 3kqz s ILE 547 CO 0.83 -0.54 0.60 -0.55 0.24 0.00 0.00 174.94 175.52 3kqz s SER 548 N -3.27 6.91 0.30 4.36 0.15 -1.26 -4.74 113.70 116.15 3kqz s SER 548 Ca 0.23 1.09 0.22 0.00 0.70 0.00 0.00 55.95 58.19 3kqz s SER 548 Cb 0.03 -2.36 0.14 0.00 -1.71 0.00 0.00 66.02 62.12 3kqz s SER 548 CO 0.06 0.02 1.29 0.77 1.20 0.00 0.00 173.24 176.58 3kqz h SER 549 N 6.17 0.00 0.00 5.45 4.64 -2.01 -3.41 113.55 124.40 3kqz h SER 549 Ca -0.43 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.60 3kqz h SER 549 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3kqz h SER 549 CO 0.72 0.06 -1.81 -1.54 -0.87 0.00 0.00 176.83 173.40 3kqz n SER 550 N -2.90 1.92 -4.71 4.97 3.41 -1.26 -4.98 113.62 110.07 3kqz n SER 550 Ca 0.01 0.38 -0.42 0.00 -0.26 0.00 0.00 58.87 58.58 3kqz n SER 550 Cb 0.57 -0.84 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 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 -2.54 2.84 -0.96 -3.33 1.01 -1.26 -4.92 120.40 111.25 3kqz s VAL 551 Ca -0.33 0.55 0.25 0.00 0.00 0.00 0.00 61.98 62.45 3kqz s VAL 551 Cb 0.10 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3kqz s VAL 551 CO 0.48 0.03 1.36 0.29 0.00 0.00 0.00 175.10 177.26 3kqz n LYS 552 N 4.33 0.03 -1.64 2.72 4.76 -1.26 -4.61 118.16 122.50 3kqz n LYS 552 Ca 0.14 0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.17 3kqz n LYS 552 Cb 0.40 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 32.06 3kqz n LYS 552 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kqz n ALA 553 N -1.54 5.40 0.21 7.82 0.00 -1.26 -4.76 120.51 126.38 3kqz n ALA 553 Ca 0.05 -3.79 0.09 0.00 0.00 0.00 0.00 53.44 49.79 3kqz n ALA 553 Cb 0.35 -3.54 0.38 0.00 0.00 0.00 0.00 19.45 16.63 3kqz n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kqz h SER 554 N 6.16 0.00 -0.05 0.00 4.64 -1.97 -1.14 113.55 121.19 3kqz h SER 554 Ca 0.57 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.82 3kqz h SER 554 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3kqz h SER 554 CO 1.89 0.24 -0.15 0.28 -0.87 0.00 0.00 176.83 178.22 3kqz h SER 555 N 0.00 0.38 -0.11 4.97 0.02 -1.93 0.87 113.55 117.75 3kqz h SER 555 Ca -0.00 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.72 3kqz h SER 555 Cb 0.86 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.30 3kqz h SER 555 CO 0.03 0.56 -0.44 0.40 -1.14 0.00 0.00 176.83 176.24 3kqz h ILE 556 N 0.36 1.38 -0.23 3.27 2.04 -1.61 -2.83 117.51 119.89 3kqz h ILE 556 Ca 0.07 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.11 3kqz h ILE 556 Cb 0.49 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.75 3kqz h ILE 556 CO 0.03 0.53 -0.04 0.58 0.00 0.00 0.00 178.15 179.25 3kqz h VAL 557 N 0.07 1.28 -0.99 1.67 2.07 -0.98 0.53 116.25 119.90 3kqz h VAL 557 Ca -0.03 -1.01 0.11 0.00 0.82 0.00 0.00 66.70 66.60 3kqz h VAL 557 Cb 1.08 1.48 -0.08 0.00 -1.52 0.00 0.00 31.29 32.25 3kqz h VAL 557 CO 0.09 0.31 0.63 0.00 0.02 0.00 0.00 177.57 178.62 3kqz h ALA 558 N 0.76 1.53 -0.49 1.67 0.00 -0.92 -0.99 119.26 120.84 3kqz h ALA 558 Ca 0.06 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3kqz h ALA 558 Cb 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3kqz h ALA 558 CO 0.02 0.23 -0.09 0.77 0.00 0.00 0.00 179.25 180.18 3kqz h SER 559 N 0.99 0.87 -0.72 0.00 0.02 -1.05 -1.35 113.55 112.32 3kqz h SER 559 Ca 0.48 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3kqz h SER 559 Cb 0.46 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3kqz h SER 559 CO -0.25 0.98 0.43 -0.07 -1.14 0.00 0.00 176.83 176.78 3kqz h LEU 560 N 0.79 0.86 -0.11 5.07 3.38 0.17 -0.44 115.31 125.03 3kqz h LEU 560 Ca 0.13 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3kqz h LEU 560 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3kqz h LEU 560 CO 0.04 0.68 0.06 0.15 0.09 0.00 0.00 178.44 179.45 3kqz h PHE 561 N 0.98 0.16 -0.61 1.13 3.04 -0.94 -2.87 116.94 117.83 3kqz h PHE 561 Ca 0.26 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.18 3kqz h PHE 561 Cb -0.02 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.40 3kqz h PHE 561 CO -0.01 0.20 0.31 -0.07 -2.02 0.00 0.00 178.31 176.72 3kqz h LEU 562 N 0.07 0.77 -1.98 0.59 3.38 -1.02 -1.67 115.31 115.45 3kqz h LEU 562 Ca 0.04 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.05 3kqz h LEU 562 Cb 0.10 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3kqz h LEU 562 CO -0.01 0.65 0.28 0.50 0.09 0.00 0.00 178.44 179.95 3kqz h LYS 563 N 0.86 0.03 0.00 1.13 3.64 -0.85 -0.37 116.57 121.00 3kqz h LYS 563 Ca 0.22 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3kqz h LYS 563 Cb 0.07 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3kqz h LYS 563 CO -0.03 0.02 0.00 0.93 -2.27 0.00 0.00 179.45 178.10 3kqz h GLU 564 N 0.03 0.00 -0.48 1.90 4.39 -1.20 -2.86 114.58 116.36 3kqz h GLU 564 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 3kqz h GLU 564 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 3kqz h GLU 564 CO -0.01 0.00 0.00 1.19 -1.16 0.00 0.00 179.01 179.03 3kqz n PHE 565 N -2.47 0.63 -4.01 4.33 3.01 -0.15 -4.75 117.46 114.04 3kqz n PHE 565 Ca 0.00 -0.37 -0.31 0.00 1.01 0.00 0.00 57.45 57.79 3kqz n PHE 565 Cb 0.16 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.47 3kqz n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kqz s VAL 566 N -1.19 1.83 0.09 -4.37 1.01 -1.08 -3.87 120.40 112.81 3kqz s VAL 566 Ca 0.38 -1.31 -0.09 0.00 0.00 0.00 0.00 61.98 60.96 3kqz s VAL 566 Cb 0.21 -1.96 -0.24 0.00 0.00 0.00 0.00 36.38 34.38 3kqz s VAL 566 CO 0.28 0.03 1.19 1.56 0.00 0.00 0.00 175.10 178.16 3kqz h GLN 567 N 7.89 0.48 0.00 2.72 7.50 -1.85 -3.44 115.11 128.40 3kqz h GLN 567 Ca -0.22 -0.61 -0.07 0.00 0.50 0.00 0.00 58.65 58.25 3kqz h GLN 567 Cb 1.07 0.20 -0.07 0.00 0.05 0.00 0.00 27.48 28.72 3kqz h GLN 567 CO 0.46 1.24 -0.16 -1.71 -1.50 0.00 0.00 178.83 177.16 3kqz n ASN 568 N -3.73 -0.55 -4.10 1.46 2.85 -1.26 -5.12 115.26 104.81 3kqz n ASN 568 Ca -0.10 -1.44 -0.19 0.00 -0.11 0.00 0.00 54.58 52.74 3kqz n ASN 568 Cb 0.93 0.16 -0.14 0.00 1.24 0.00 0.00 39.78 41.98 3kqz n ASN 568 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3kqz s THR 569 N 0.00 0.95 0.14 -0.44 2.01 -1.26 -5.10 115.64 111.94 3kqz s THR 569 Ca 0.00 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.86 3kqz s THR 569 Cb 0.00 -0.86 -0.10 0.00 0.01 0.00 0.00 72.50 71.55 3kqz s THR 569 CO 0.00 0.03 1.77 0.00 -0.69 0.00 0.00 174.62 175.73 3kqz s ALA 570 N -0.71 3.79 0.01 7.40 0.00 -1.24 -4.91 121.76 126.10 3kqz s ALA 570 Ca 0.01 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.42 3kqz s ALA 570 Cb -0.07 -3.73 -0.01 0.00 0.00 0.00 0.00 23.12 19.31 3kqz s ALA 570 CO 0.01 -1.12 -0.02 -0.46 0.00 0.00 0.00 175.76 174.16 3kqz s TRP 571 N 2.30 0.21 0.05 0.00 -0.00 -1.26 -1.36 118.94 118.88 3kqz s TRP 571 Ca 0.78 -0.22 -0.01 0.00 -0.00 0.00 0.00 56.10 56.65 3kqz s TRP 571 Cb -0.46 -0.14 -0.04 0.00 -0.00 0.00 0.00 33.47 32.84 3kqz s TRP 571 CO 0.35 -0.07 -0.02 0.00 -0.00 0.00 0.00 176.95 177.21 3kqz s ALA 572 N -0.60 0.48 -0.08 5.86 0.00 -0.45 -1.62 121.76 125.36 3kqz s ALA 572 Ca -0.06 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 3kqz s ALA 572 Cb -0.04 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.41 3kqz s ALA 572 CO -0.00 -0.38 0.16 -1.58 0.00 0.00 0.00 175.76 173.96 3kqz s HIS 573 N -3.92 -0.17 -0.31 0.00 2.46 0.95 -0.73 115.29 113.57 3kqz s HIS 573 Ca 0.07 0.59 -0.08 0.00 0.47 0.00 0.00 55.06 56.12 3kqz s HIS 573 Cb 0.08 -0.24 0.02 0.00 -0.13 0.00 0.00 32.58 32.30 3kqz s HIS 573 CO -0.10 -0.26 0.11 0.42 -2.47 0.00 0.00 174.74 172.44 3kqz s ILE 574 N 2.16 4.07 -0.39 0.89 1.01 -0.13 -0.60 121.20 128.22 3kqz s ILE 574 Ca 0.02 -0.77 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 3kqz s ILE 574 Cb -0.12 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.20 3kqz s ILE 574 CO -0.06 -0.01 0.62 -0.62 0.00 0.00 0.00 174.94 174.88 3kqz s ASP 575 N 1.50 6.37 -0.13 3.58 -1.08 0.93 -1.81 116.67 126.03 3kqz s ASP 575 Ca 0.02 -0.06 0.16 0.00 -0.52 0.00 0.00 52.55 52.14 3kqz s ASP 575 Cb -0.18 -2.32 0.57 0.00 -1.46 0.00 0.00 42.92 39.54 3kqz s ASP 575 CO 0.03 -0.65 1.49 2.30 0.52 0.00 0.00 175.17 178.86 3kqz n ILE 576 N 5.67 1.95 -0.16 4.11 -5.35 0.44 -2.60 119.36 123.43 3kqz n ILE 576 Ca -0.02 -1.45 0.07 0.00 -0.27 0.00 0.00 62.75 61.09 3kqz n ILE 576 Cb 0.48 0.01 0.37 0.00 -1.74 0.00 0.00 39.64 38.77 3kqz n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqz h ALA 577 N 2.77 1.74 0.00 -1.28 0.00 -1.82 -1.37 119.26 119.31 3kqz h ALA 577 Ca 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3kqz h ALA 577 Cb 1.37 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3kqz h ALA 577 CO 0.21 0.15 -0.72 0.78 0.00 0.00 0.00 179.25 179.67 3kqz h GLY 578 N 0.70 0.00 -0.41 0.00 0.00 -1.81 -3.38 103.07 98.18 3kqz h GLY 578 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3kqz h GLY 578 CO -0.10 0.00 -0.53 3.33 0.00 0.00 0.00 176.54 179.24 3kqz n VAL 579 N -3.35 0.00 -0.06 4.60 0.24 -0.59 -4.18 118.33 115.00 3kqz n VAL 579 Ca 0.01 -0.23 -0.16 0.00 -2.04 0.00 0.00 64.34 61.92 3kqz n VAL 579 Cb 0.79 1.11 -0.06 0.00 -1.47 0.00 0.00 33.84 34.21 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 0.99 0.88 -3.41 -1.34 0.87 -1.55 -3.42 113.55 106.57 3kqz h SER 580 Ca 0.00 -0.57 -0.61 0.00 -1.23 0.00 0.00 61.79 59.38 3kqz h SER 580 Cb 0.48 -0.25 -0.14 0.00 -0.44 0.00 0.00 62.40 62.04 3kqz h SER 580 CO 0.00 1.29 -0.52 0.86 -0.53 0.00 0.00 176.83 177.93 3kqz s TRP 581 N -3.98 3.32 -0.63 2.24 -0.11 -1.26 -0.80 118.94 117.71 3kqz s TRP 581 Ca -0.11 0.19 -0.25 0.00 1.22 0.00 0.00 56.10 57.15 3kqz s TRP 581 Cb 0.09 -2.18 0.05 0.00 -1.50 0.00 0.00 33.47 29.92 3kqz s TRP 581 CO 0.88 0.14 1.06 1.21 -4.62 0.00 0.00 176.95 175.62 3kqz s ASN 582 N 0.68 6.25 0.13 5.86 3.84 0.64 -4.88 114.94 127.47 3kqz s ASN 582 Ca 0.06 -0.53 -0.13 0.00 0.21 0.00 0.00 52.86 52.48 3kqz s ASN 582 Cb -0.12 -2.47 -0.02 0.00 -0.55 0.00 0.00 41.25 38.08 3kqz s ASN 582 CO 0.01 -1.47 1.53 -0.26 -2.79 0.00 0.00 177.10 174.12 3kqz h PHE 583 N 9.60 0.95 -0.20 0.43 -1.00 -1.96 0.38 116.94 125.14 3kqz h PHE 583 Ca -0.27 -0.22 0.02 0.00 2.81 0.00 0.00 57.97 60.31 3kqz h PHE 583 Cb 1.06 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.38 3kqz h PHE 583 CO 1.00 0.97 0.06 0.87 -1.61 0.00 0.00 178.31 179.60 3kqz h LYS 584 N 0.66 0.15 -0.00 1.51 6.56 -1.96 -3.14 116.57 120.35 3kqz h LYS 584 Ca 0.10 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 3kqz h LYS 584 Cb 0.68 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 3kqz h LYS 584 CO 0.05 0.10 -0.43 0.00 -2.06 0.00 0.00 179.45 177.11 3kqz n ALA 585 N -2.24 3.40 -3.35 3.86 0.00 -1.19 -4.96 120.51 116.03 3kqz n ALA 585 Ca -0.03 -0.35 -0.18 0.00 0.00 0.00 0.00 53.44 52.88 3kqz n ALA 585 Cb 0.08 -1.14 0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -1.35 -6.27 -3.84 0.00 1.74 0.13 -5.00 116.66 102.08 3kqz n ARG 586 Ca 0.07 0.67 -0.09 0.00 -0.77 0.00 0.00 57.85 57.72 3kqz n ARG 586 Cb 0.34 -5.22 -0.04 0.00 -1.02 0.00 0.00 32.46 26.52 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 -5.92 1.42 0.97 5.56 -2.85 -1.06 -5.02 119.74 112.84 3kqz s LYS 587 Ca 0.41 -1.00 -0.12 0.00 -1.00 0.00 0.00 55.97 54.25 3kqz s LYS 587 Cb -0.18 0.50 0.17 0.00 -2.06 0.00 0.00 37.83 36.26 3kqz s LYS 587 CO 0.59 -0.60 1.10 -2.14 0.10 0.00 0.00 175.35 174.40 3kqz s PRO 588 N -3.92 0.65 -0.02 1.78 0.02 -1.26 -0.26 135.00 131.99 3kqz s PRO 588 Ca 0.13 0.55 0.20 0.00 0.02 0.00 0.00 61.00 61.90 3kqz s PRO 588 Cb -0.01 -1.76 -0.27 0.00 0.02 0.00 0.00 34.50 32.48 3kqz s PRO 588 CO 0.01 -2.59 0.64 1.63 -0.33 0.00 0.00 177.00 176.36 3kqz n LYS 589 N -4.08 0.52 -3.45 5.54 5.02 0.02 -4.59 118.16 117.13 3kqz n LYS 589 Ca 0.06 -0.10 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 3kqz n LYS 589 Cb 0.57 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 34.17 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 1.40 -0.54 3.73 0.72 0.00 -1.26 -4.94 105.19 104.30 3kqz n GLY 590 Ca -0.00 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.26 3.18 0.00 1.61 5.36 -1.26 -3.56 117.98 120.04 3kqz s PHE 591 Ca 0.51 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.49 3kqz s PHE 591 Cb -0.23 -3.72 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 3kqz s PHE 591 CO 0.63 -2.41 0.00 0.41 -1.46 0.00 0.00 175.22 172.39 3kqz n GLY 592 N 2.88 2.46 0.23 13.12 0.00 -1.26 -4.70 105.19 117.91 3kqz n GLY 592 Ca 0.09 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.17 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 0.56 -0.45 1.61 2.07 -1.76 0.52 116.25 118.81 3kqz h VAL 593 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3kqz h VAL 593 Cb 0.00 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3kqz h VAL 593 CO 0.00 0.00 -0.00 0.03 0.02 0.00 0.00 177.57 177.62 3kqz h ARG 594 N -0.32 0.79 -0.23 1.57 3.08 -1.91 -0.19 114.38 117.17 3kqz h ARG 594 Ca 0.04 -0.26 0.03 0.00 0.07 0.00 0.00 59.98 59.87 3kqz h ARG 594 Cb 0.38 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 3kqz h ARG 594 CO -0.15 0.86 0.03 1.25 -1.07 0.00 0.00 179.97 180.89 3kqz h LEU 595 N 0.64 -0.02 -1.30 3.04 5.85 -1.61 0.25 115.31 122.15 3kqz h LEU 595 Ca 0.13 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3kqz h LEU 595 Cb 0.50 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 3kqz h LEU 595 CO 0.02 0.02 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.91 3kqz h LEU 596 N 0.12 0.26 0.04 2.25 3.38 0.20 -0.33 115.31 121.22 3kqz h LEU 596 Ca 0.11 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 3kqz h LEU 596 Cb 0.11 -0.07 0.02 0.00 0.09 0.00 0.00 40.66 40.81 3kqz h LEU 596 CO -0.15 0.45 -0.70 0.74 0.09 0.00 0.00 178.44 178.87 3kqz h THR 597 N 0.25 1.43 -0.99 0.22 2.02 -0.28 -2.15 112.91 113.41 3kqz h THR 597 Ca 0.05 -2.20 0.07 0.00 0.77 0.00 0.00 66.41 65.10 3kqz h THR 597 Cb 0.45 2.72 -0.07 0.00 -1.74 0.00 0.00 68.15 69.51 3kqz h THR 597 CO 0.03 0.64 0.64 -0.33 0.37 0.00 0.00 175.52 176.87 3kqz h GLU 598 N -0.12 1.09 0.11 6.66 4.39 -0.29 0.13 114.58 126.55 3kqz h GLU 598 Ca -0.10 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3kqz h GLU 598 Cb 1.43 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 3kqz h GLU 598 CO 0.14 0.72 -0.09 0.35 -1.16 0.00 0.00 179.01 178.97 3kqz h PHE 599 N 1.13 -0.23 -0.65 4.33 3.57 -0.96 -0.30 116.94 123.82 3kqz h PHE 599 Ca 0.44 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.91 3kqz h PHE 599 Cb 0.22 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3kqz h PHE 599 CO -0.00 -0.14 0.30 0.28 -2.23 0.00 0.00 178.31 176.52 3kqz h VAL 600 N -0.21 1.23 -0.17 1.41 2.07 -0.98 -3.16 116.25 116.43 3kqz h VAL 600 Ca -0.00 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3kqz h VAL 600 Cb 0.19 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3kqz h VAL 600 CO -0.01 0.27 -0.10 -0.07 0.02 0.00 0.00 177.57 177.67 3kqz h LEU 601 N 0.90 0.39 -0.27 2.57 4.07 -0.64 -3.32 115.31 119.02 3kqz h LEU 601 Ca 0.22 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3kqz h LEU 601 Cb 0.14 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.78 3kqz h LEU 601 CO -0.03 0.74 -0.14 0.59 -1.08 0.00 0.00 178.44 178.53 3kqz n ASN 602 N -4.58 0.55 0.00 -0.43 3.02 -0.14 -5.02 115.26 108.66 3kqz n ASN 602 Ca -0.05 -0.60 0.01 0.00 -0.03 0.00 0.00 54.58 53.90 3kqz n ASN 602 Cb 0.33 -0.04 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 3kqz n ASN 602 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97