NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 88 F 4.7317 8.3249 115.8870 56.8118 39.9445 175.1712 89 Y 4.1361 7.4556 119.6493 55.0723 38.4438 174.4519 90 P 4.3527 0.0000 0.0000 65.5885 32.5791 178.2984 91 W 4.3924 8.3796 116.4789 58.4120 27.8338 175.9602 92 M 3.1642 6.9220 118.1823 54.2573 30.0820 174.7580 93 A 3.3428 8.1214 125.6674 52.3192 17.8798 176.3308 *105 R 4.1513 8.1654 115.2031 55.8910 30.6372 174.8465 106 Q 4.6995 8.5604 118.5599 54.5245 30.7319 174.9341 107 T 4.3848 8.2580 110.9601 60.6678 70.3127 174.3551 108 Y 4.6684 8.3073 122.3247 57.8838 38.9693 176.0298 109 T 4.4150 8.8167 115.5840 61.8857 71.1881 176.6811 110 R 4.0082 8.5083 122.8703 61.8180 29.3408 178.5377 111 Y 4.3070 7.9919 119.3399 60.5254 38.8994 177.6179 112 Q 3.7228 8.0907 119.0048 59.1301 28.7564 178.8710 113 T 3.7050 7.8403 116.6382 66.5369 68.4650 176.5922 114 L 3.8921 7.5339 120.4226 57.9992 41.6745 179.5644 115 E 3.7636 7.6828 118.2499 59.2051 29.2006 179.5227 116 L 3.5860 7.5339 118.9684 57.4303 41.3868 179.2083 117 E 4.1295 8.5178 119.0325 59.6857 29.4110 178.7976 118 K 3.8032 8.3263 119.6267 59.7706 32.0677 177.7377 119 E 3.9978 8.3163 118.9027 59.7493 29.4239 178.9215 120 F 5.0331 8.4773 120.4594 61.2732 39.4362 176.2472 121 H 4.3428 8.5108 117.2812 59.0489 29.6531 177.0431 122 T 4.1808 7.5898 110.9519 62.8799 69.8554 174.9370 123 N 4.9891 8.2710 119.0151 50.9600 40.3534 175.0823 124 H 3.8551 8.8700 118.6700 57.5717 29.3023 175.0944 125 Y 4.7947 8.0104 115.6052 55.8345 40.5467 174.6915 126 L 4.6485 8.1129 122.5144 52.8260 44.5750 177.4637 127 T 4.1734 8.1540 119.4889 63.0320 70.7123 175.6592 128 R 3.8692 8.5120 122.5131 59.6994 30.0031 178.9147 129 R 3.8879 7.8599 118.1480 59.2687 30.1607 178.2321 130 R 3.8862 7.8001 118.0991 59.5023 30.0260 178.5735 131 R 3.8900 8.1435 117.9531 59.0409 29.9178 179.0141 132 I 3.6270 7.6812 119.6266 64.5247 37.0278 177.8797 133 E 4.0117 8.2711 119.7043 59.2554 29.2964 178.8189 134 M 3.9254 8.4503 118.2484 58.7686 32.2000 178.6197 135 A 3.8959 8.1884 120.6983 55.8778 18.3357 179.3611 136 H 4.1879 7.6242 112.9499 59.0556 28.8696 177.7407 137 A 4.2603 8.0262 121.6172 54.0627 18.1617 178.0756 138 L 4.6908 7.2611 114.5675 53.8799 42.8903 176.5128 139 S 3.7324 8.2283 112.5155 59.9388 60.0997 171.3689 140 L 4.7835 7.5133 117.2038 52.5328 45.6248 177.0314 141 T 4.4015 8.7708 111.6482 60.6987 71.5659 175.5144 142 E 3.9459 8.4766 120.7957 59.2685 29.5254 178.4980 143 R 3.9455 7.9373 118.4363 59.5385 30.1847 178.3691 144 Q 4.1583 8.4048 118.0257 58.9877 28.6925 178.9083 145 I 3.9411 7.8060 120.4440 64.2721 37.2269 177.9587 146 K 3.9173 8.2686 120.4778 60.0932 32.0042 178.7163 147 I 3.8012 8.2697 119.9223 64.1437 37.0546 178.2745 148 W 4.0173 8.6978 129.4867 60.5566 30.5811 178.0698 149 F 4.0806 8.9328 117.7652 60.2820 38.5084 177.8554 150 Q 4.0183 8.1287 117.9810 59.0083 28.4788 178.4836 151 N 4.1943 8.0140 117.5714 56.0712 38.5691 177.5576 152 R 3.1306 7.2124 120.0544 58.9355 29.7562 178.8939 153 R 3.9453 7.6035 117.9379 59.4218 29.7005 178.8445 154 M 4.0342 7.7911 117.7043 57.6028 31.6090 178.7127 155 K 3.8449 7.3945 119.6735 59.0791 32.4661 178.2741 156 L 4.0476 7.6325 119.7179 57.9571 42.4177 178.4891 157 K 4.0680 8.3855 119.9931 58.9118 32.7948 177.4950 158 K 4.5359 7.3685 118.9527 54.9102 29.7306 177.7982 159 E 4.6653 7.5226 111.5747 56.1217 31.5421 176.1506 160 I 4.0776 7.3905 124.6044 61.4993 37.4394 175.6986 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 88 F 8.32 4.73 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.46 4.14 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.35 0.00 2.30 2.36 0.00 4.03 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 91 W 8.38 4.39 0.00 3.58 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 6.92 3.16 0.00 1.66 1.78 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.60 0.00 93 A 8.12 3.34 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 R 8.17 4.15 0.00 1.96 2.00 0.00 2.98 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 106 Q 8.56 4.70 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 107 T 8.26 4.38 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 108 Y 8.31 4.67 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.82 4.42 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 110 R 8.51 4.01 0.00 1.84 1.99 0.00 3.25 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.26 0.00 111 Y 7.99 4.31 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.09 3.72 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 113 T 7.84 3.71 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 114 L 7.53 3.89 0.00 1.85 1.59 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.68 3.76 0.00 1.73 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 116 L 7.53 3.59 0.00 0.50 0.13 -0.02 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.52 4.13 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 118 K 8.33 3.80 0.00 1.96 1.80 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.46 7.81 119 E 8.32 4.00 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.79 0.00 120 F 8.48 5.03 0.00 3.09 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.51 4.34 0.00 3.36 3.71 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.59 4.18 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 123 N 8.27 4.99 0.00 3.10 2.91 0.00 0.00 7.07 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.87 3.86 0.00 3.20 3.13 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.01 4.79 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.11 4.65 0.00 0.92 1.25 0.68 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.15 4.17 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 128 R 8.51 3.87 0.00 1.87 1.93 0.00 3.18 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 129 R 7.86 3.89 0.00 1.95 1.89 0.00 3.31 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 130 R 7.80 3.89 0.00 1.88 1.86 0.00 3.36 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 131 R 8.14 3.89 0.00 1.86 1.92 0.00 3.14 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 132 I 7.68 3.63 2.07 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 0.88 0.00 0.00 133 E 8.27 4.01 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.56 0.00 134 M 8.45 3.93 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.57 0.00 135 A 8.19 3.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 7.62 4.19 0.00 3.21 3.36 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.03 4.26 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.26 4.69 0.00 1.52 1.57 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.23 3.73 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.51 4.78 0.00 1.45 1.41 0.42 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.77 4.40 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 142 E 8.48 3.95 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 143 R 7.94 3.95 0.00 1.95 1.96 0.00 3.27 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 144 Q 8.40 4.16 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 145 I 7.81 3.94 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.99 1.01 0.00 0.00 146 K 8.27 3.92 0.00 2.01 2.10 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.56 7.81 147 I 8.27 3.80 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.95 0.00 0.00 148 W 8.70 4.02 0.00 3.72 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.93 4.08 0.00 3.59 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.13 4.02 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 151 N 8.01 4.19 0.00 2.47 2.51 0.00 0.00 6.66 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.21 3.13 0.00 0.67 1.00 0.00 2.29 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 7.60 3.95 0.00 2.10 1.92 0.00 2.98 0.00 0.00 2.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 154 M 7.79 4.03 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.81 0.00 155 K 7.39 3.84 0.00 1.62 1.69 0.00 1.53 0.00 0.00 1.34 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.27 7.81 156 L 7.63 4.05 0.00 1.69 1.84 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 157 K 8.39 4.07 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.48 7.81 158 K 7.37 4.54 0.00 1.98 1.74 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.43 7.81 159 E 7.52 4.67 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 160 I 7.39 4.08 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.