NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.2767 8.2548 109.1181 45.1385 0.0000 174.9481 17 I 3.6790 7.2706 120.7106 63.7079 37.2907 175.4699 18 T 3.9813 7.9574 117.0352 62.5127 69.8524 174.3579 19 G 3.6173 7.1769 113.2427 45.4565 0.0000 170.1143 20 T 4.6182 7.2888 115.9264 61.3771 70.9033 173.9182 21 W 4.8398 8.5321 125.6504 54.8625 33.1296 174.1444 22 Y 5.4581 9.5605 120.1403 56.5208 42.0337 174.8065 23 N 5.3259 8.7657 120.8030 50.1956 40.5963 175.6238 24 Q 4.2112 8.8626 115.2556 56.5301 28.5768 177.3279 25 L 5.3253 7.8486 125.7250 53.6415 41.2673 172.5063 26 G 4.1156 8.6971 115.9206 45.1869 0.0000 171.5335 27 S 4.2607 8.1275 110.9131 57.1519 64.4201 173.8463 28 T 5.2248 8.9312 121.1944 61.6820 72.3004 172.9901 29 F 5.2548 8.8943 119.4786 55.1145 41.9862 173.3687 30 I 4.8884 8.5851 121.4901 59.5910 39.6406 175.0945 31 V 4.9149 8.5829 125.7604 60.2273 35.5085 174.3406 32 T 4.7421 9.1139 118.7385 61.7960 71.4084 173.1786 33 A 4.5032 8.7740 129.8410 50.3585 18.9290 177.3174 34 G 3.7868 9.2719 111.1448 45.6894 0.0000 173.3127 35 A 4.0470 8.6856 123.8337 54.8902 18.4144 178.3618 36 D 4.5846 8.0975 112.7973 53.3758 39.8594 177.3060 37 G 3.3960 8.3881 108.8066 44.9488 0.0000 173.4160 38 A 4.8257 8.0130 122.1105 51.6133 20.1036 176.5292 39 L 5.2843 8.7825 121.1058 53.0993 44.7832 175.8396 40 T 4.8074 8.5174 113.4625 60.0559 72.1106 173.5930 41 G 4.0245 8.0343 109.9153 46.9833 0.0000 171.4702 42 T 5.2249 8.3691 117.2105 62.0621 73.1772 172.4765 43 Y 5.0420 9.5785 127.6279 55.8028 41.5916 173.8405 44 E 5.2776 9.3150 128.9174 54.2984 30.9068 175.4227 45 S 4.9713 9.2530 120.8411 57.8838 63.0972 175.9412 46 A 5.0886 8.2482 133.0770 54.3382 17.9966 178.4283 *51 E 4.1859 7.8397 113.1242 56.0887 31.6828 177.0667 52 S 4.8572 7.9010 113.1007 58.3004 63.2199 172.7197 53 R 5.2308 7.6128 119.2796 54.8967 31.7546 175.1953 54 Y 4.8906 9.3605 120.3043 55.8490 42.8692 174.7827 55 V 4.2617 8.5866 121.8607 62.8994 32.4559 175.1116 56 L 5.0633 8.8403 127.9604 54.3674 43.5327 175.2200 57 T 5.0387 8.6059 114.7541 61.3019 71.4765 173.2293 58 G 4.3617 8.7080 112.8734 46.2497 0.0000 171.9102 59 R 5.5846 8.9475 117.7806 54.9752 34.8092 174.0947 60 Y 5.2789 8.5799 118.5291 55.5950 41.5286 174.7499 61 D 4.3849 9.0190 120.4558 53.6014 40.1265 176.8767 62 S 4.1606 7.9880 120.5611 59.3229 63.9304 174.6421 63 A 4.6804 7.9414 123.5555 49.9492 18.5303 173.8605 64 P 4.7076 0.0000 0.0000 60.6637 32.8116 177.3616 65 A 4.1839 8.4447 122.5159 53.1539 18.7045 177.4404 66 T 4.6017 8.3795 108.9657 61.6522 69.1482 174.6348 67 D 4.7128 8.0452 118.8744 53.9268 39.6253 176.7968 68 G 4.0872 8.2964 107.4396 45.8384 0.0000 174.8112 69 S 4.3003 7.9404 115.9243 58.1615 63.3644 174.2316 70 G 3.9815 8.4005 110.7656 46.4466 0.0000 172.6464 71 T 4.8168 9.0726 116.7757 61.5421 70.2949 174.7782 72 A 4.6711 8.6994 129.4247 52.1697 19.9226 175.9202 73 L 4.8875 9.0243 120.8886 55.5325 44.6728 174.0186 74 G 4.6052 9.1804 104.3198 45.5148 0.0000 172.4309 75 W 5.8441 8.7198 117.9045 55.4573 32.3230 173.4789 76 T 5.1538 9.2613 116.8736 61.8267 72.2089 173.4044 77 V 4.3699 8.6273 123.9430 60.9671 34.5767 173.8965 78 A 4.4781 8.2632 129.7729 49.7384 20.0416 177.9657 79 W 3.9777 8.5457 126.2191 55.5026 28.1653 176.3320 80 K 5.2600 7.6920 118.2206 54.6661 35.3042 174.4095 81 N 5.0869 8.9377 122.3363 51.3677 40.2260 174.2512 82 N 4.3809 8.3090 113.6828 54.7194 38.5973 175.2723 83 Y 4.7231 7.2460 114.9791 58.3506 40.0063 175.5792 84 R 4.6687 9.0420 115.1718 55.3033 32.5405 173.7908 85 N 5.2130 8.4842 116.8303 52.8890 40.7662 173.6925 86 A 4.3481 8.7544 128.4168 51.6092 20.1598 176.0147 87 H 4.1746 8.4525 113.2184 56.1917 26.9360 173.7074 88 S 5.2269 7.4278 112.5854 57.8869 68.2447 174.9590 89 A 4.9323 9.0571 122.5121 50.9400 22.8497 175.2720 90 T 4.8915 8.9701 118.7965 61.6762 71.7140 173.2979 91 T 4.8244 8.3035 115.9564 59.6016 71.6069 172.9089 92 W 5.0061 8.6670 125.5209 54.7686 31.6488 174.7840 93 S 4.9620 8.8575 119.5013 56.5732 64.7798 172.8328 94 G 4.4067 8.6864 113.5566 46.7544 0.0000 171.7452 95 Q 5.2492 8.5929 119.0442 54.9622 32.7151 173.6304 96 Y 4.9751 9.8881 123.5385 56.6959 40.9514 174.4084 97 V 4.0374 8.3913 126.7063 61.2224 33.7085 174.9982 98 G 3.6437 7.8690 120.0886 44.9718 0.0000 172.7137 99 G 3.8611 8.7060 106.3116 44.8225 0.0000 173.3746 100 A 3.9164 8.1956 122.1306 54.3631 19.0678 178.0979 101 E 4.3973 7.5559 118.2739 54.0180 28.5191 175.0692 102 A 4.6479 7.7535 122.9113 52.0035 19.6393 177.3481 103 R 5.2431 9.4160 117.7777 55.4938 33.9183 173.7716 104 I 4.9813 8.9622 120.5652 59.8116 39.7808 174.4833 105 N 5.4331 9.0444 125.6313 52.0540 40.4215 174.4897 106 T 5.3339 9.2890 113.4408 60.1105 72.9129 172.7698 107 Q 5.3003 9.1199 121.2246 54.0164 32.4912 174.6999 108 W 5.4912 8.8009 117.8262 54.8494 32.3558 173.6611 109 L 5.2771 8.7476 120.7283 52.9020 44.6177 175.1552 110 L 5.0420 9.3376 126.1078 53.6528 44.7137 174.9079 111 T 5.1200 8.7617 123.3863 61.9663 71.1023 173.5753 112 S 5.1512 8.4874 122.6860 56.4761 65.0277 174.5186 113 G 3.8629 9.0033 112.1638 46.7195 0.0000 173.0987 114 T 4.7890 8.3233 113.9202 59.4083 72.2732 173.4911 115 T 4.1205 8.0667 112.4035 61.5433 69.7827 175.0269 116 E 4.1833 8.5953 120.2432 58.4119 29.3850 179.0154 117 A 4.2060 8.0935 120.0282 54.2417 18.8555 178.1090 118 N 4.7263 7.7059 112.8045 53.0957 38.9153 176.4721 119 A 4.0504 8.1293 127.2040 54.3070 18.1919 180.3906 120 W 4.3123 8.4029 113.0015 58.6732 28.1677 176.6182 121 K 4.0814 6.3436 117.4460 56.1114 32.2913 177.2085 122 S 4.2637 7.7653 115.3970 60.5361 63.7253 173.2786 123 T 5.0603 7.5423 117.2510 61.9066 71.1939 173.5283 124 L 4.7732 9.0571 127.2270 53.4739 44.2749 176.0451 125 V 4.4463 7.8629 119.5258 60.2856 34.4717 174.9135 126 G 2.9405 7.1305 109.4118 45.3504 0.0000 170.9103 127 H 5.5090 8.0183 113.5779 54.2542 31.7657 172.3208 128 D 4.9562 9.4215 118.3863 53.4418 45.1875 173.8150 129 T 5.2054 8.4796 119.7715 61.8623 72.0847 172.8289 130 F 5.3342 9.5699 124.5158 56.1781 42.3121 174.7009 131 T 5.2383 9.4406 118.4964 61.5119 72.2937 174.3736 132 K 4.1576 8.4449 124.1494 55.9864 32.1704 176.5192 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.27 3.68 1.38 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.56 0.00 0.00 18 T 7.96 3.98 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 19 G 7.18 3.62 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 0.00 20 T 7.29 4.62 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 21 W 8.53 4.84 0.00 1.78 2.65 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 0.00 0.00 0.00 0.00 22 Y 9.56 5.46 0.00 2.86 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 N 8.77 5.33 0.00 2.59 2.65 0.00 0.00 6.87 7.11 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 24 Q 8.86 4.21 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.56 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 25 L 7.85 5.33 0.00 1.83 1.73 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.70 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.13 4.26 0.00 4.33 3.94 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 28 T 8.93 5.22 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 1.05 0.00 0.00 29 F 8.89 5.25 0.00 2.94 2.54 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 I 8.59 4.89 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.83 0.00 0.00 31 V 8.58 4.91 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.80 0.00 0.00 32 T 9.11 4.74 4.21 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 1.18 0.00 0.00 33 A 8.77 4.50 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 34 G 9.27 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 0.00 0.00 0.00 35 A 8.69 4.05 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 36 D 8.10 4.58 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.39 3.40 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 0.00 38 A 8.01 4.83 1.34 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 0.00 0.00 39 L 8.78 5.28 0.00 1.72 1.49 0.67 0.43 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 40 T 8.52 4.81 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 1.21 0.00 0.00 41 G 8.03 4.02 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 0.00 42 T 8.37 5.22 4.25 0.00 0.00 0.00 0.00 0.00 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 43 Y 9.58 5.04 0.00 2.84 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 44 E 9.32 5.28 0.00 2.05 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 45 S 9.25 4.97 0.00 4.20 4.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 5.09 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 *51 E 7.84 4.19 0.00 1.85 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.54 0.00 52 S 7.90 4.86 0.00 4.01 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 5.23 0.00 1.67 1.82 0.00 3.23 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 54 Y 9.36 4.89 0.00 2.82 2.73 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 55 V 8.59 4.26 2.09 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 0.78 0.00 0.00 0.94 0.00 0.00 56 L 8.84 5.06 0.00 1.78 1.62 0.45 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.61 5.04 4.24 0.00 0.00 0.00 0.00 0.00 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 58 G 8.71 4.36 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 0.00 59 R 8.95 5.58 0.00 1.73 1.79 0.00 3.41 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 60 Y 8.58 5.28 0.00 3.09 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 61 D 9.02 4.38 0.00 2.75 2.71 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 0.00 0.00 0.00 62 S 7.99 4.16 0.00 3.88 3.29 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 63 A 7.94 4.68 1.22 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 0.00 0.00 0.00 64 P 0.00 4.71 0.00 2.27 2.16 0.00 3.45 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.44 4.18 1.31 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 0.00 0.00 0.00 66 T 8.38 4.60 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 1.24 0.00 0.00 67 D 8.05 4.71 0.00 2.79 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 68 G 8.30 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 69 S 7.94 4.30 0.00 4.04 3.84 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 70 G 8.40 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 71 T 9.07 4.82 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 72 A 8.70 4.67 1.31 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 0.00 0.00 0.00 73 L 9.02 4.89 0.00 2.03 1.96 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.18 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.72 5.84 0.00 3.41 3.12 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 0.00 0.00 0.00 76 T 9.26 5.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 77 V 8.63 4.37 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 -0.38 0.00 0.00 0.69 0.00 0.00 78 A 8.26 4.48 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.55 3.98 0.00 3.23 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 80 K 7.69 5.26 0.00 1.89 1.70 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.44 7.81 81 N 8.94 5.09 0.00 2.77 2.72 0.00 0.00 6.66 6.33 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 82 N 8.31 4.38 0.00 1.93 2.56 0.00 0.00 6.67 7.46 0.00 0.00 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 Y 7.25 4.72 0.00 3.20 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 84 R 9.04 4.67 0.00 2.02 2.09 0.00 3.04 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 85 N 8.48 5.21 0.00 2.65 2.65 0.00 0.00 6.89 7.96 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 86 A 8.75 4.35 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 87 H 8.45 4.17 0.00 3.35 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.43 5.23 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.06 4.93 1.12 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 0.00 0.00 0.00 0.00 0.00 90 T 8.97 4.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 91 T 8.30 4.82 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 92 W 8.67 5.01 0.00 1.78 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.86 4.96 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 94 G 8.69 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 0.00 0.00 0.00 0.00 95 Q 8.59 5.25 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 96 Y 9.89 4.98 0.00 2.87 3.02 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 97 V 8.39 4.04 2.11 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 0.73 0.00 0.00 0.90 0.00 0.00 98 G 7.87 3.64 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 0.00 0.00 0.00 99 G 8.71 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.20 3.92 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 0.00 101 E 7.56 4.40 0.00 1.95 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 2.24 2.25 0.00 102 A 7.75 4.65 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 0.00 103 R 9.42 5.24 0.00 2.24 2.19 0.00 2.82 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 104 I 8.96 4.98 1.86 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.28 1.18 0.00 0.00 105 N 9.04 5.43 0.00 2.75 2.83 0.00 0.00 6.06 7.21 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 0.00 106 T 9.29 5.33 4.53 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 1.51 0.00 0.00 107 Q 9.12 5.30 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 108 W 8.80 5.49 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.75 5.28 0.00 1.52 1.54 0.87 0.28 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 0.00 110 L 9.34 5.04 0.00 1.64 1.69 0.96 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.76 5.12 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 1.19 0.00 0.00 112 S 8.49 5.15 0.00 3.71 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.32 4.79 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 115 T 8.07 4.12 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 116 E 8.60 4.18 0.00 2.02 2.05 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 2.39 2.32 0.00 117 A 8.09 4.21 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 0.00 118 N 7.71 4.73 0.00 2.65 2.64 0.00 0.00 6.73 9.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.13 4.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 8.40 4.31 0.00 3.58 3.26 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 0.00 121 K 6.34 4.08 0.00 1.14 0.74 0.00 1.21 0.00 0.00 1.16 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.71 7.81 122 S 7.77 4.26 0.00 4.10 4.05 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 0.00 123 T 7.54 5.06 4.21 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 1.19 0.00 0.00 124 L 9.06 4.77 0.00 1.81 1.71 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.86 4.45 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.71 0.00 0.00 126 G 7.13 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 0.00 0.00 0.00 127 H 8.02 5.51 0.00 3.19 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.42 4.96 0.00 3.24 2.70 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 0.00 0.00 0.00 0.00 129 T 8.48 5.21 4.30 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 1.44 0.00 0.00 130 F 9.57 5.33 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 9.44 5.24 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 132 K 8.44 4.16 0.00 0.85 1.33 0.00 0.79 0.00 0.00 2.06 0.00 0.00 2.36 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.91 0.30 7.81 * Residues marked with a * may have inaccurate shift predictions.