NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0370 7.7274 119.7323 56.3493 34.2132 176.2647 2 G 3.3121 8.1993 108.3998 45.5065 0.0000 171.5336 3 I 3.8351 8.0066 118.6027 60.1390 39.8729 174.1945 4 Y 4.7795 9.0718 122.0850 60.6579 38.8169 176.1073 5 S 4.7259 7.8355 110.0308 57.4195 65.9488 174.1784 6 F 5.8192 8.0205 124.7738 56.5372 42.1377 174.1951 7 W 4.8894 9.3465 124.7955 55.0052 33.3668 174.0166 8 I 4.4819 8.3783 125.1624 59.3135 39.9282 174.6114 9 F 4.9557 8.8292 124.6720 55.3702 41.8229 174.6550 10 D 4.7024 8.9482 125.0062 54.2938 41.7300 176.4477 11 R 4.6599 8.1239 112.7793 55.4792 29.6406 176.1807 12 H 4.6631 7.6995 114.0219 55.8837 29.2920 174.7322 13 C 2.6474 7.6073 114.8712 59.8687 25.1208 172.3806 14 N 4.5029 7.2266 117.9027 52.1803 40.0104 173.2084 15 C 4.5238 8.2629 123.1525 58.0506 32.5281 173.1418 16 I 4.1239 8.1751 127.9188 62.7973 37.9587 175.9584 17 F 4.8372 7.7763 121.0419 56.5331 42.8562 173.5673 18 D 4.4415 7.1376 124.0001 51.4510 43.4508 175.0378 19 R 4.2549 6.4731 117.9202 56.4507 32.5637 172.6333 20 E 4.9444 9.9160 126.2888 56.4873 30.7257 176.6416 21 W 4.7535 8.8433 135.0000 59.6579 32.2098 175.5327 *35 K 4.9367 7.4844 118.4153 56.4850 32.7916 178.2419 36 Q 3.8718 7.9684 117.1834 58.9422 28.7048 178.1947 37 N 4.7375 8.2692 115.3333 56.0968 39.2349 176.9068 38 E 4.0885 7.9624 117.0937 59.4063 29.5182 179.1469 39 E 4.0516 7.7925 118.9838 59.3930 29.6259 178.8531 40 D 4.3640 7.9716 118.9410 57.0706 40.7556 178.6841 41 A 3.8770 7.8130 120.4712 54.8492 18.2260 179.7825 42 K 4.0124 7.9677 117.1888 59.5583 32.1187 179.5289 43 L 3.9618 7.8096 119.5910 58.7906 40.5953 178.8055 44 L 3.8276 7.9950 121.4216 57.8684 41.8670 178.2645 45 Y 3.2953 8.6757 120.7942 60.2186 38.1285 178.4954 46 G 3.3492 7.5645 106.7941 47.7637 0.0000 175.3669 47 M 4.1439 8.1556 121.2053 58.4982 32.1645 178.4669 48 I 3.7534 7.5470 119.8880 64.1332 37.3828 178.2837 49 F 4.2473 7.7974 121.8902 61.1542 39.1742 177.4783 50 S 3.6975 9.0364 114.5897 61.4596 62.7993 176.4825 51 L 3.8870 7.7199 122.9639 57.0154 41.1893 179.4404 52 R 3.7850 8.2062 119.2186 59.5671 29.9720 178.6323 53 S 3.9300 7.5581 112.5652 61.0531 62.2758 175.7863 54 I 3.5572 7.7224 121.5741 64.4709 37.4739 178.0906 55 T 3.9028 7.8769 115.8622 66.4527 68.2912 176.6127 56 Q 4.0897 7.9613 119.6655 58.8689 28.8470 178.4240 57 K 4.0918 7.9900 119.6130 58.8785 32.7577 177.8493 58 L 4.3663 7.7256 120.5751 54.3390 42.4645 176.4502 59 S 4.6970 7.3435 110.5867 56.1663 66.3692 173.1759 60 K 4.4779 9.7586 121.3329 53.8781 34.3964 176.9343 61 G 3.7520 7.7109 111.3570 44.9955 0.0000 172.2034 62 S 4.6168 8.1724 115.3085 58.0066 63.3184 175.8117 63 V 3.7198 7.7773 118.9545 64.6821 32.0178 174.6979 64 K 3.6587 7.7405 117.1935 55.7032 27.8255 174.7176 65 N 4.2183 7.8369 117.4534 53.9587 39.9313 173.2648 66 D 4.8355 8.1439 121.9156 51.7638 44.7109 175.6437 67 I 3.6423 8.1439 114.5315 61.3719 36.5252 175.5241 68 R 4.1224 7.8938 128.1531 56.9249 29.8249 175.0677 69 S 5.1812 7.9044 115.2652 56.4178 66.3431 173.1133 70 I 4.6316 8.1929 124.4258 59.6547 40.3254 174.4891 71 S 5.2143 8.7984 122.3211 57.1090 66.0240 173.2036 72 T 4.5582 8.2398 116.7611 59.8388 70.2151 173.7112 73 G 3.6309 8.6071 109.7618 47.9561 0.0000 174.5457 74 K 4.5831 7.5833 115.5920 55.4113 33.7126 174.7185 75 Y 5.0417 7.3663 116.8658 57.6894 41.1155 172.4114 76 R 4.8507 8.6447 116.7268 55.5284 33.4022 175.1120 77 V 5.4052 8.5440 118.4955 58.7108 30.6603 174.9062 78 H 4.1897 8.0107 118.6787 57.0896 29.9723 175.5681 79 T 5.3308 8.5879 119.3038 62.4013 71.9031 173.8884 80 Y 4.9486 8.6440 124.0110 57.6730 41.6634 173.0655 81 C 5.0160 8.8327 124.4731 58.1582 31.1143 174.2976 82 T 3.9860 7.7623 117.7382 63.0244 69.0634 175.5127 83 A 4.4816 8.3136 124.5880 52.5116 19.6068 178.0074 84 S 4.5217 8.0980 108.9317 57.7508 64.3745 173.9913 85 G 3.8748 8.5336 108.9933 45.7306 0.0000 172.1409 86 L 4.8200 8.4406 118.6351 53.2470 45.9483 176.2868 87 W 4.7926 9.6619 125.5554 56.5384 29.9671 175.8499 88 F 5.0978 9.6293 126.0286 56.0987 39.9998 175.2867 89 V 5.0167 9.2866 124.7219 60.1385 34.4872 174.7976 90 L 5.4678 8.9312 123.4658 54.0879 46.0754 174.2068 91 L 5.2072 9.4700 127.1939 53.4946 43.2293 176.4242 92 S 4.3256 8.9105 124.4857 57.5454 65.7256 175.2916 93 D 4.3805 8.1252 119.9872 53.4749 39.9801 174.5724 94 F 3.6500 8.2286 115.6784 59.2648 36.0104 173.7748 95 K 4.4094 7.2400 120.7076 57.3509 35.2292 176.3544 96 Q 4.1989 7.7516 119.9306 54.7763 30.1747 175.5895 97 Q 4.1947 7.9005 119.3348 54.8166 30.0764 175.0323 98 S 4.1434 8.4741 112.6687 59.5327 62.7615 174.8475 99 Y 4.2614 8.5800 125.8813 58.1522 38.3072 178.2197 100 T 3.8750 7.9065 113.1364 65.0575 68.7875 175.2830 101 Q 3.9374 7.9178 120.4248 58.5689 28.8628 178.4861 102 V 3.9842 7.7924 118.8026 66.0073 31.5657 177.6722 103 L 4.0735 8.4212 120.3299 58.2272 42.0498 178.6040 104 Q 4.4071 8.3214 119.8459 59.6388 28.9653 177.7083 105 Y 4.1302 9.1254 122.8754 60.0740 38.6068 177.9161 106 I 3.4599 8.4326 121.1729 64.4596 37.0937 177.8512 107 Y 3.9856 7.9404 120.6387 60.5118 38.0997 177.9864 108 S 3.7226 8.5325 115.5104 61.6856 63.0271 176.2211 109 H 4.0646 7.4562 119.2291 58.2588 28.2243 177.7036 110 I 3.3883 6.7994 121.4384 64.2933 36.7745 177.9884 111 Y 4.3051 7.7555 120.4508 60.7646 38.7331 177.9879 112 V 3.8011 7.1761 117.3300 65.4238 31.4618 178.2702 113 K 3.9391 7.9574 116.3504 59.8290 32.3613 178.1162 114 Y 3.9870 8.2427 114.1191 61.1218 38.0642 177.7578 115 V 3.5426 7.5846 118.5969 65.2657 31.6459 177.1364 116 S 4.7708 7.9670 114.0292 58.1251 62.9637 174.7464 117 N 4.7621 8.1491 116.0123 53.4037 41.0014 174.7697 118 N 4.6661 7.7347 116.3050 50.8484 36.6704 175.0459 119 L 4.3913 8.0653 124.1237 56.4384 40.2029 178.6061 120 L 4.1727 7.9035 122.3828 57.0073 41.8875 177.1605 121 S 4.4437 7.4321 111.8638 54.8419 63.2298 171.0885 122 P 3.8858 0.0000 0.0000 61.7455 32.4013 175.8558 123 Y 4.3319 7.9705 118.0149 57.3521 38.8804 177.1955 124 D 4.3622 9.3914 124.0267 57.1300 42.6621 179.9357 125 F 3.1474 10.2934 113.6049 57.3378 41.2202 176.9323 126 A 4.4385 8.5305 122.8588 52.2779 22.2913 176.9577 127 E 4.6801 8.2767 112.5083 56.5795 30.4440 178.9622 128 N 4.2703 8.5525 118.1711 54.8761 38.3958 175.4100 129 E 3.9413 9.4894 116.7126 57.2433 29.8967 177.4131 130 N 4.8253 8.5760 120.9773 54.1875 38.3783 175.0420 131 E 4.6035 8.1337 116.7139 56.7061 30.4468 177.7447 132 M 3.6494 8.0211 118.2994 58.2134 32.0872 178.4522 133 R 4.1115 7.2843 115.2588 58.7928 30.4270 178.3401 134 G 3.6684 8.1852 105.0409 47.9107 0.0000 174.5251 135 Q 4.0071 8.0228 118.2512 55.9611 28.5802 172.2996 136 G 3.9900 7.9957 113.2159 45.5955 0.0000 173.4043 137 T 4.6150 7.9268 119.2476 61.0658 72.0795 172.0808 138 R 4.2169 8.4428 123.1191 56.2405 29.4832 177.4653 139 K 4.0418 9.1927 118.9455 58.8371 32.7600 177.7137 140 I 3.7644 7.1711 118.0708 60.8184 37.6570 174.9530 141 T 4.3899 8.1836 120.0777 62.7210 69.9601 173.7812 142 N 3.9250 7.3522 118.0272 51.9474 37.4663 174.2356 143 R 4.0078 8.8806 125.6009 59.8301 30.0115 178.5512 144 N 4.4678 8.2270 115.4286 56.2503 38.7826 177.0300 145 F 3.7871 8.5382 122.2990 61.2332 39.4832 177.1964 146 I 4.0211 7.9960 112.5551 63.9968 37.5044 178.2499 147 S 4.1244 7.8497 116.3423 61.2801 62.9225 176.9388 148 V 3.5826 8.5774 124.4221 63.9877 31.1306 178.2001 149 L 3.8310 7.6590 120.9762 58.0039 41.7527 178.7260 150 E 4.0560 7.9741 117.2698 59.5896 29.6664 179.3385 151 S 4.2711 8.0871 115.0806 61.4911 62.6985 176.3721 152 F 4.3781 8.3263 122.6786 60.5895 39.1299 175.9509 153 L 4.4943 7.6371 116.7539 54.1210 42.8316 177.9490 154 A 4.0210 7.7222 123.3312 54.7920 18.1319 177.7625 155 P 4.4321 0.0000 0.0000 64.1624 32.1646 175.9862 156 M 4.2572 8.3363 117.7579 54.9911 30.8784 176.7583 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 7.73 5.04 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 2 G 8.20 3.31 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 0.00 3 I 8.01 3.84 1.71 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.29 0.00 0.00 4 Y 9.07 4.78 0.00 2.91 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 5 S 7.84 4.73 0.00 3.04 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 6 F 8.02 5.82 0.00 3.38 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 7 W 9.35 4.89 0.00 3.34 2.42 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 8 I 8.38 4.48 1.83 0.00 0.00 1.51 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 0.47 0.53 0.00 0.00 9 F 8.83 4.96 0.00 2.87 2.44 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 0.00 10 D 8.95 4.70 0.00 2.53 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.12 4.66 0.00 1.96 2.26 0.00 2.65 0.00 0.00 3.97 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 12 H 7.70 4.66 0.00 3.17 3.06 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.61 2.65 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.23 4.50 0.00 2.62 2.58 0.00 0.00 6.65 7.65 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 15 C 8.26 4.52 0.00 3.00 2.79 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 16 I 8.18 4.12 1.79 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 1.29 0.63 0.98 0.00 0.00 17 F 7.78 4.84 0.00 2.97 2.69 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 18 D 7.14 4.44 0.00 2.12 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 0.00 0.00 0.00 0.00 19 R 6.47 4.25 0.00 1.86 1.72 0.00 3.38 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 20 E 9.92 4.94 0.00 1.95 1.73 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 2.08 2.15 0.00 21 W 8.84 4.75 0.00 3.46 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 *35 K 7.48 4.94 0.00 1.93 1.88 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 36 Q 7.97 3.87 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 37 N 8.27 4.74 0.00 2.77 2.94 0.00 0.00 6.88 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 38 E 7.96 4.09 0.00 2.11 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 0.00 2.53 2.34 0.00 39 E 7.79 4.05 0.00 2.42 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 0.00 2.31 2.36 0.00 40 D 7.97 4.36 0.00 3.10 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 41 A 7.81 3.88 1.62 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 42 K 7.97 4.01 0.00 2.06 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.74 7.81 43 L 7.81 3.96 0.00 1.88 1.90 0.88 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.99 3.83 0.00 1.54 1.61 0.10 0.62 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 45 Y 8.68 3.30 0.00 2.64 3.01 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 46 G 7.56 3.35 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 0.00 47 M 8.16 4.14 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 48 I 7.55 3.75 1.92 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 1.62 0.70 1.30 0.00 0.00 49 F 7.80 4.25 0.00 2.26 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 9.04 3.70 0.00 3.98 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 51 L 7.72 3.89 0.00 1.82 1.71 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.21 3.78 0.00 2.01 2.01 0.00 2.99 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 53 S 7.56 3.93 0.00 3.43 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.72 3.56 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 0.96 0.00 0.00 55 T 7.88 3.90 4.34 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 1.18 0.00 0.00 56 Q 7.96 4.09 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 57 K 7.99 4.09 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 58 L 7.73 4.37 0.00 1.75 1.66 0.90 0.92 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 59 S 7.34 4.70 0.00 3.93 3.89 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 60 K 9.76 4.48 0.00 1.71 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.37 7.81 61 G 7.71 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 0.00 0.00 0.00 62 S 8.17 4.62 0.00 3.80 3.83 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 0.00 0.00 0.00 63 V 7.78 3.72 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 0.86 0.00 0.00 0.93 0.00 0.00 64 K 7.74 3.66 0.00 1.96 1.89 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.35 7.81 65 N 7.84 4.22 0.00 2.64 2.74 0.00 0.00 7.08 8.47 0.00 0.00 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 D 8.14 4.84 0.00 2.62 2.44 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 0.00 67 I 8.14 3.64 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.34 0.89 0.00 0.00 68 R 7.89 4.12 0.00 1.92 1.82 0.00 3.10 0.00 0.00 3.26 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 69 S 7.90 5.18 0.00 3.90 3.67 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 70 I 8.19 4.63 1.88 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 1.33 0.87 0.89 0.00 0.00 71 S 8.80 5.21 0.00 3.82 4.10 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 0.00 0.00 0.00 0.00 72 T 8.24 4.56 3.31 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 0.95 0.00 0.00 73 G 8.61 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.58 4.58 0.00 1.88 1.93 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 75 Y 7.37 5.04 0.00 3.33 3.25 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 0.00 76 R 8.64 4.85 0.00 1.63 1.49 0.00 2.88 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.71 0.00 77 V 8.54 5.41 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 0.96 0.00 0.00 1.03 0.00 0.00 78 H 8.01 4.19 0.00 3.21 3.39 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.59 5.33 4.66 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 0.00 0.00 0.00 1.32 0.00 0.00 80 Y 8.64 4.95 0.00 3.13 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 81 C 8.83 5.02 0.00 2.55 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.99 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 1.23 0.00 0.00 83 A 8.31 4.48 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 84 S 8.10 4.52 0.00 4.04 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.53 3.87 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 0.00 0.00 0.00 86 L 8.44 4.82 0.00 1.49 1.22 0.96 0.77 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 87 W 9.66 4.79 0.00 3.38 3.19 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 0.00 88 F 9.63 5.10 0.00 3.42 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.29 5.02 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 1.32 0.00 0.00 1.20 0.00 0.00 90 L 8.93 5.47 0.00 2.24 1.77 1.11 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.47 5.21 0.00 1.82 1.78 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.91 4.33 0.00 3.67 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 93 D 8.13 4.38 0.00 2.19 1.81 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 94 F 8.23 3.65 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.24 4.41 0.00 1.97 1.68 0.00 1.96 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.43 7.81 96 Q 7.75 4.20 0.00 1.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 97 Q 7.90 4.19 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 98 S 8.47 4.14 0.00 4.04 3.99 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 0.00 0.00 0.00 99 Y 8.58 4.26 0.00 2.98 3.04 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 0.00 0.00 0.00 0.00 100 T 7.91 3.87 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 1.20 0.00 0.00 101 Q 7.92 3.94 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 102 V 7.79 3.98 2.38 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 1.22 0.00 0.00 0.87 0.00 0.00 103 L 8.42 4.07 0.00 2.27 1.98 1.25 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.32 4.41 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 105 Y 9.13 4.13 0.00 2.99 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 3.46 2.07 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.87 0.00 0.00 107 Y 7.94 3.99 0.00 1.43 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 0.00 108 S 8.53 3.72 0.00 3.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.46 4.06 0.00 1.75 2.85 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 6.80 3.39 1.69 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.57 -0.22 0.00 0.00 111 Y 7.76 4.31 0.00 3.47 3.24 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 0.00 112 V 7.18 3.80 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 1.24 0.00 0.00 0.76 0.00 0.00 113 K 7.96 3.94 0.00 1.81 1.70 0.00 2.05 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.69 7.81 114 Y 8.24 3.99 0.00 3.24 3.43 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 0.00 115 V 7.58 3.54 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 0.10 0.00 0.00 0.29 0.00 0.00 116 S 7.97 4.77 0.00 4.11 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 0.00 117 N 8.15 4.76 0.00 2.90 2.77 0.00 0.00 7.09 8.00 0.00 0.00 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 7.73 4.67 0.00 2.77 2.88 0.00 0.00 6.04 6.67 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 0.00 119 L 8.07 4.39 0.00 1.66 1.66 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.90 4.17 0.00 1.60 1.72 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.43 4.44 0.00 3.87 3.80 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 0.00 122 P 0.00 3.89 0.00 2.23 1.98 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 123 Y 7.97 4.33 0.00 3.22 3.17 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 0.00 124 D 9.39 4.36 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 10.29 3.15 0.00 3.18 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 0.00 126 A 8.53 4.44 0.90 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 0.00 0.00 0.00 127 E 8.28 4.68 0.00 1.97 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 2.29 2.28 0.00 128 N 8.55 4.27 0.00 2.88 2.95 0.00 0.00 7.16 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 0.00 129 E 9.49 3.94 0.00 2.07 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 2.32 2.47 0.00 130 N 8.58 4.83 0.00 2.68 2.79 0.00 0.00 6.77 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 0.00 131 E 8.13 4.60 0.00 1.94 2.14 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 2.14 2.32 0.00 132 M 8.02 3.65 0.00 1.63 1.89 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.25 0.00 133 R 7.28 4.11 0.00 1.67 1.81 0.00 3.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 134 G 8.19 3.67 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 0.00 0.00 0.00 135 Q 8.02 4.01 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 136 G 8.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.93 4.61 4.23 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 1.21 0.00 0.00 138 R 8.44 4.22 0.00 2.26 2.14 0.00 2.93 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 139 K 9.19 4.04 0.00 1.93 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 140 I 7.17 3.76 2.01 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.70 1.21 0.00 0.00 141 T 8.18 4.39 4.29 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 1.32 0.00 0.00 142 N 7.35 3.92 0.00 2.84 2.81 0.00 0.00 7.19 7.65 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 0.00 143 R 8.88 4.01 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 144 N 8.23 4.47 0.00 3.34 3.32 0.00 0.00 6.77 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.54 3.79 0.00 3.27 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 0.00 146 I 8.00 4.02 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.71 1.35 0.00 0.00 147 S 7.85 4.12 0.00 4.07 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 0.00 148 V 8.58 3.58 1.86 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 0.21 0.00 0.00 0.73 0.00 0.00 149 L 7.66 3.83 0.00 1.27 1.67 0.74 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.97 4.06 0.00 2.12 2.01 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 2.47 2.73 0.00 151 S 8.09 4.27 0.00 4.13 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 0.00 152 F 8.33 4.38 0.00 3.04 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 0.00 153 L 7.64 4.49 0.00 1.78 1.76 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.72 4.02 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 0.00 155 P 0.00 4.43 0.00 2.21 2.00 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 156 M 8.34 4.26 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.