NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5257 8.1633 118.3334 55.2547 33.5376 173.5151 2 I 4.5254 8.1833 119.8719 59.2448 39.4778 174.0548 3 R 4.5229 9.7591 127.8160 55.3154 32.9349 175.3320 4 T 4.8981 8.3666 118.6327 62.5485 69.7911 173.9304 5 M 4.9406 9.0159 126.6788 52.7625 35.8935 175.1199 6 L 3.3562 8.7459 124.2478 55.6967 41.8478 176.4630 7 Q 4.4816 9.2538 129.5005 58.5246 30.2380 175.7117 8 G 4.0855 7.8764 103.7040 46.5546 0.0000 171.8634 9 K 4.9552 8.3868 118.0184 55.6704 36.6650 174.9866 10 L 4.9897 8.8188 122.4922 53.6645 43.3908 175.2946 11 H 4.8086 9.4702 126.3430 54.7168 30.9280 175.4597 12 R 3.8716 8.3696 126.7539 57.4262 27.3259 176.9921 13 V 3.6885 7.2244 110.2568 61.0670 33.2843 176.1100 14 K 4.8942 8.6718 124.4062 54.5535 34.0037 176.1215 15 V 3.9847 8.7573 128.2836 63.4153 31.8808 176.2381 16 T 4.4237 8.8059 117.9547 62.4896 70.5371 174.8417 17 H 4.3311 8.3273 120.7972 56.3158 30.6009 173.9814 18 A 4.4815 7.4289 124.0797 51.4117 21.8908 176.5654 19 D 4.4076 8.7469 122.9261 57.0116 41.3401 177.5210 20 L 4.0765 7.4215 117.1394 54.4587 42.4055 175.8935 21 H 4.4341 8.1763 118.3560 55.1816 30.1227 174.9210 22 Y 4.7078 8.3495 119.2071 57.2502 38.5034 175.9532 23 E 3.8063 9.3264 117.4716 57.5247 26.7894 175.6171 24 G 3.9777 8.7310 107.9653 44.9383 0.0000 174.3271 25 S 4.0855 7.3544 114.0056 56.5837 65.2901 172.8451 26 C 4.7831 8.2378 119.8558 57.5373 33.2154 172.4084 27 A 4.5540 8.3006 129.1315 51.2452 20.0261 176.1052 28 I 4.7939 8.3392 121.9573 59.1816 41.8626 174.0992 29 D 4.2678 8.3654 126.3690 55.0359 41.2851 177.0694 30 Q 3.9146 8.8088 127.0938 59.8496 29.0209 178.7066 31 D 4.4126 8.5007 119.7172 57.4842 40.8277 178.9383 32 F 4.6265 8.1624 118.2302 60.5424 38.9523 177.6712 33 L 4.0114 8.0338 118.1741 57.9704 41.4362 178.9521 34 D 4.3691 8.4887 118.8135 57.6499 40.6142 179.0546 35 A 4.0341 7.8755 119.0795 54.6651 18.6054 178.6585 36 A 4.5262 8.2453 117.3817 51.6661 18.7667 178.5091 37 G 4.0047 7.4102 104.0720 45.9922 0.0000 173.8096 38 I 4.3786 7.5712 120.0507 60.1020 38.2917 175.6110 39 L 4.6428 8.8534 124.7516 52.6739 43.3959 175.8925 40 E 4.1602 8.4187 122.2129 57.8429 29.9847 176.8971 41 N 4.6737 9.4255 122.4007 53.2923 37.2722 174.0394 42 E 4.3010 8.0760 120.5770 55.5126 30.9272 175.9126 43 A 4.8314 8.7027 128.4554 52.4601 19.1999 176.7311 44 I 4.7911 8.8098 114.4290 59.2773 41.6715 173.7258 45 D 5.0713 8.7722 124.1516 52.7072 43.3366 175.3433 46 I 4.3119 8.0805 123.6260 58.9657 40.3322 174.4142 47 W 5.1815 8.6560 127.6218 54.9518 31.5754 174.7787 48 N 4.9503 9.5306 126.1040 52.6243 38.4974 175.8033 49 V 3.7085 8.6770 128.2128 66.4617 31.8296 177.9365 50 T 4.0568 8.4267 116.6919 66.2483 68.4175 174.9655 51 N 4.7220 8.3658 114.9017 51.9635 37.9524 175.8361 52 G 3.9619 8.4963 109.7714 46.1533 0.0000 174.9118 53 K 4.4283 8.5503 124.1393 55.3263 33.1631 181.6707 54 R 5.5105 8.6797 120.9886 54.4667 33.5395 174.5489 55 F 5.2026 9.1346 118.0096 55.6207 42.2335 173.3325 56 S 5.0227 8.7654 114.2806 57.0981 65.3417 173.7764 57 T 4.5913 8.9362 121.1388 61.4915 71.8242 171.7539 58 Y 5.1631 8.3485 116.2619 55.1351 42.4300 174.4011 59 A 5.0184 8.8395 122.4877 51.0101 20.7333 176.5157 60 I 4.8926 8.4226 114.4141 58.7282 41.4209 174.4686 61 A 4.6667 9.2712 125.9395 51.7919 19.2673 177.1430 62 A 4.5998 8.8073 124.0043 49.6751 22.3413 175.8889 63 E 4.1346 8.6580 119.5705 56.4877 30.6256 176.5636 64 R 4.1704 8.5437 126.7146 58.0788 30.4269 176.7032 65 G 3.9783 8.4307 113.9151 45.4412 0.0000 174.5305 66 S 4.1151 7.8345 113.8743 59.3110 63.1965 174.7666 67 R 3.5067 8.1300 118.5366 56.7911 28.3380 175.9148 68 I 4.0077 7.1419 118.4583 61.3162 38.5448 175.4019 69 I 4.6675 8.7720 126.7535 59.6231 40.4138 174.4260 70 S 4.7401 8.8933 122.0818 56.3869 65.4085 174.3547 71 V 4.6103 8.3306 118.7304 61.0943 33.1318 174.7132 72 N 4.1900 8.0130 119.9390 54.7244 39.5066 173.4800 73 G 4.0693 8.9581 109.5329 44.6344 0.0000 176.7418 74 A 3.9907 8.6414 126.6260 53.6905 18.4936 177.9925 75 A 4.4997 7.4707 117.6518 51.6708 19.2799 178.4568 76 A 4.1721 7.4239 121.1850 55.6119 18.4452 179.1887 77 H 4.4524 7.2984 111.7835 55.9341 28.3307 175.2970 *79 A 4.3318 7.7996 120.4892 52.2731 19.7221 176.8699 80 S 4.7754 8.6999 114.5784 56.0355 66.7555 174.3604 81 V 3.8944 8.2352 122.4345 64.6323 31.6045 175.8784 82 G 4.1050 9.0195 115.9797 45.4340 0.0000 173.7756 83 D 4.5905 8.2315 119.6843 54.4771 42.3565 175.4397 84 I 4.8118 8.6516 123.0150 60.0787 39.0868 175.3654 85 V 5.0552 8.8238 119.3503 59.6455 36.4399 174.3339 86 I 4.7614 8.7988 123.1707 59.6462 40.1218 174.7382 87 I 4.5562 8.4035 127.0390 59.3015 39.7154 174.4920 88 A 5.0691 8.5206 129.0267 49.8369 22.3393 174.7860 89 S 5.0651 8.4102 114.6870 56.4845 66.4277 172.9975 90 F 5.2282 8.7678 118.8750 55.9103 42.1926 174.7083 91 V 4.6762 8.8148 115.1999 59.7404 35.7338 174.5481 92 T 5.5845 8.2255 111.8303 59.9881 71.1445 173.2236 93 M 4.4955 7.9359 117.8523 53.9595 34.2556 172.4170 94 P 4.7617 0.0000 0.0000 62.4679 32.5116 177.1071 95 D 4.3134 8.4803 120.0808 57.5720 40.7741 178.5071 96 E 3.8988 8.0773 118.1374 59.3978 29.9742 177.9187 97 E 4.1212 8.2266 118.5713 59.2498 29.8783 178.2552 98 A 4.0880 8.2723 120.9439 55.4347 18.2131 179.7718 99 R 4.1851 8.0496 115.3517 58.2822 30.0662 177.6465 100 T 4.6520 7.4179 107.1294 60.6825 69.3021 173.7288 101 W 4.1973 8.2638 134.1775 58.3660 31.1619 176.2661 102 R 4.2845 6.9368 123.1383 53.2935 30.9764 172.0694 103 P 4.6020 0.0000 0.0000 61.7722 32.5951 176.4895 104 N 4.5836 9.0888 120.8291 52.5627 39.2683 174.1786 105 V 4.6631 8.2341 123.7182 60.6952 34.0931 174.4244 106 A 4.7146 8.5155 128.9884 50.2713 21.8408 174.4547 107 Y 5.0637 8.4868 119.6996 56.3050 40.8941 175.0022 108 F 5.3176 8.6232 120.4538 55.9581 43.0376 173.8708 109 E 4.6512 9.0055 118.1993 54.5752 33.3773 177.0797 110 G 3.7339 8.7523 109.3325 47.3809 0.0000 175.7926 111 D 4.6053 8.7622 119.6030 54.4566 40.2902 175.3764 112 N 4.2771 7.9175 110.8628 54.3404 37.1353 175.0478 113 E 4.3215 8.5023 119.2162 56.1574 31.0123 175.2146 114 M 4.0273 8.6042 127.1371 54.2673 33.6315 175.1102 115 K 4.6563 8.8486 126.5914 55.1816 36.1154 178.4071 116 R 3.9707 8.7549 120.8947 58.4086 29.7127 177.0529 117 T 4.5580 7.4916 104.6414 59.5956 72.0464 173.6247 118 A 3.8081 7.5800 122.7776 52.2084 18.7889 177.2242 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 1 M 8.16 4.53 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 2 I 8.18 4.53 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.28 0.88 0.00 0.00 3 R 9.76 4.52 0.00 1.67 1.82 0.00 3.27 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 4 T 8.37 4.90 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 5 M 9.02 4.94 0.00 1.73 1.48 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 6 L 8.75 3.36 0.00 1.60 1.67 0.55 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.25 4.48 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 8 G 7.88 4.09 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 0.00 9 K 8.39 4.96 0.00 1.83 1.75 0.00 1.38 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.24 1.30 7.81 10 L 8.82 4.99 0.00 1.43 1.42 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 H 9.47 4.81 0.00 3.00 3.12 0.00 5.92 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.37 3.87 0.00 2.05 2.01 0.00 3.28 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 13 V 7.22 3.69 1.65 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 -1.10 0.00 0.00 0.69 0.00 0.00 14 K 8.67 4.89 0.00 1.72 1.78 0.00 1.82 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.62 7.81 15 V 8.76 3.98 2.27 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 1.06 0.00 0.00 0.95 0.00 0.00 16 T 8.81 4.42 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 17 H 8.33 4.33 0.00 3.15 3.25 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.43 4.48 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 19 D 8.75 4.41 0.00 2.66 2.72 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 20 L 7.42 4.08 0.00 1.10 0.82 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.18 4.43 0.00 2.98 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.35 4.71 0.00 3.11 2.80 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 23 E 9.33 3.81 0.00 2.22 2.12 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 2.23 2.31 0.00 24 G 8.73 3.98 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 0.00 25 S 7.35 4.09 0.00 3.21 2.89 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 0.00 0.00 0.00 26 C 8.24 4.78 0.00 2.95 2.67 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 27 A 8.30 4.55 -0.02 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 28 I 8.34 4.79 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.77 0.97 0.00 0.00 29 D 8.37 4.27 0.00 2.12 1.54 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 30 Q 8.81 3.91 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 31 D 8.50 4.41 0.00 2.77 2.84 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 32 F 8.16 4.63 0.00 3.13 3.03 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 33 L 8.03 4.01 0.00 1.90 1.96 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.49 4.37 0.00 2.92 2.76 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 35 A 7.88 4.03 1.39 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 36 A 8.25 4.53 1.32 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 37 G 7.41 4.00 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 0.00 0.00 38 I 7.57 4.38 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.89 0.00 0.00 39 L 8.85 4.64 0.00 1.69 1.58 0.94 0.64 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 40 E 8.42 4.16 0.00 1.94 1.88 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 2.34 2.39 0.00 41 N 9.43 4.67 0.00 2.91 2.98 0.00 0.00 6.97 7.70 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 42 E 8.08 4.30 0.00 2.13 1.91 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 2.32 2.29 0.00 43 A 8.70 4.83 1.27 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 44 I 8.81 4.79 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.11 0.84 0.00 0.00 45 D 8.77 5.07 0.00 2.20 2.35 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 46 I 8.08 4.31 0.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.10 0.65 0.00 0.00 47 W 8.66 5.18 0.00 3.35 2.95 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 48 N 9.53 4.95 0.00 2.94 3.07 0.00 0.00 6.43 7.72 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 49 V 8.68 3.71 2.23 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 0.83 0.00 0.00 1.00 0.00 0.00 50 T 8.43 4.06 4.43 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 1.28 0.00 0.00 51 N 8.37 4.72 0.00 2.84 2.93 0.00 0.00 7.16 7.09 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 52 G 8.50 3.96 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 0.00 53 K 8.55 4.43 0.00 1.45 1.70 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.30 7.81 54 R 8.68 5.51 0.00 1.80 2.16 0.00 3.13 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 55 F 9.13 5.20 0.00 3.07 3.05 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 56 S 8.77 5.02 0.00 3.78 3.79 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 57 T 8.94 4.59 4.41 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 58 Y 8.35 5.16 0.00 3.12 2.96 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 59 A 8.84 5.02 1.29 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 60 I 8.42 4.89 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.64 1.01 0.00 0.00 61 A 9.27 4.67 1.28 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 0.00 0.00 0.00 62 A 8.81 4.60 1.08 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 0.00 0.00 0.00 0.00 0.00 63 E 8.66 4.13 0.00 2.05 1.83 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 2.35 2.32 0.00 64 R 8.54 4.17 0.00 1.77 1.81 0.00 3.31 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 65 G 8.43 3.98 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 0.00 66 S 7.83 4.12 0.00 3.97 3.98 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 67 R 8.13 3.51 0.00 1.99 2.25 0.00 3.28 0.00 0.00 3.76 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 68 I 7.14 4.01 1.76 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 0.84 0.00 0.00 69 I 8.77 4.67 2.00 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 1.16 0.99 0.84 0.00 0.00 70 S 8.89 4.74 0.00 3.84 3.33 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 71 V 8.33 4.61 2.12 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 0.86 0.00 0.00 0.94 0.00 0.00 72 N 8.01 4.19 0.00 2.93 2.89 0.00 0.00 7.41 7.19 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 73 G 8.96 4.07 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 0.00 74 A 8.64 3.99 1.32 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 75 A 7.47 4.50 1.23 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 0.00 0.00 76 A 7.42 4.17 1.30 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 77 H 7.30 4.45 0.00 3.12 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 A 7.80 4.33 1.35 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 80 S 8.70 4.78 0.00 3.85 3.72 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 81 V 8.24 3.89 2.10 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 0.80 0.00 0.00 0.97 0.00 0.00 82 G 9.02 4.11 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 0.00 83 D 8.23 4.59 0.00 2.75 2.64 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 84 I 8.65 4.81 1.89 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 1.24 1.01 0.92 0.00 0.00 85 V 8.82 5.06 2.04 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 0.99 0.00 0.00 0.91 0.00 0.00 86 I 8.80 4.76 2.18 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.90 1.06 0.00 0.00 87 I 8.40 4.56 1.69 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.60 0.72 0.00 0.00 88 A 8.52 5.07 0.62 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 89 S 8.41 5.07 0.00 4.06 3.88 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 90 F 8.77 5.23 0.00 2.87 2.96 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 91 V 8.81 4.68 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 0.68 0.00 0.00 0.45 0.00 0.00 92 T 8.23 5.58 4.19 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 1.18 0.00 0.00 93 M 7.94 4.50 0.00 1.81 2.21 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 94 P 0.00 4.76 0.00 2.20 2.01 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 95 D 8.48 4.31 0.00 2.73 2.68 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 96 E 8.08 3.90 0.00 2.01 1.98 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 2.32 2.39 0.00 97 E 8.23 4.12 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 2.53 2.52 0.00 98 A 8.27 4.09 1.42 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 99 R 8.05 4.19 0.00 2.03 2.05 0.00 3.13 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 100 T 7.42 4.65 4.27 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 1.24 0.00 0.00 101 W 8.26 4.20 0.00 3.59 3.21 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 0.00 102 R 6.94 4.28 0.00 1.82 1.68 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.17 0.00 103 P 0.00 4.60 0.00 1.90 2.19 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.46 0.00 104 N 9.09 4.58 0.00 2.72 2.93 0.00 0.00 6.63 7.63 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 V 8.23 4.66 1.95 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 0.07 0.00 0.00 0.84 0.00 0.00 106 A 8.52 4.71 1.07 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 0.00 107 Y 8.49 5.06 0.00 2.88 2.80 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 0.00 108 F 8.62 5.32 0.00 3.06 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.01 4.65 0.00 2.06 2.03 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 2.20 2.29 0.00 110 G 8.75 3.73 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 0.00 111 D 8.76 4.61 0.00 2.67 2.68 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 N 7.92 4.28 0.00 3.05 3.03 0.00 0.00 7.18 7.66 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 0.00 113 E 8.50 4.32 0.00 2.15 1.98 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 2.31 2.29 0.00 114 M 8.60 4.03 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 2.19 0.00 115 K 8.85 4.66 0.00 1.65 1.57 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.24 1.44 7.81 116 R 8.75 3.97 0.00 1.83 1.84 0.00 3.20 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 117 T 7.49 4.56 4.08 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 0.00 0.00 1.17 0.00 0.00 118 A 7.58 3.81 0.69 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 * Residues marked with a * may have inaccurate shift predictions.