NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7638 8.3544 109.7364 45.3657 0.0000 172.4430 *2 S 4.1952 8.2230 112.4222 58.4792 62.9266 173.9966 3 V 4.1989 8.1443 117.2492 60.6392 31.9422 176.0418 4 K 3.7547 7.5918 122.5528 56.5298 32.1526 176.4017 5 V 3.7222 8.4896 126.8270 62.9011 32.1036 175.5577 6 S 4.8772 8.3325 122.1431 56.3980 66.9288 175.1979 7 V 3.6311 8.2697 122.2314 65.8505 31.3434 178.0396 8 D 4.3145 8.0087 117.6571 57.6202 41.2558 177.7947 9 D 4.5603 7.9845 119.2822 57.3411 40.8315 178.8043 10 I 3.5694 7.6742 120.1091 64.2090 37.1107 177.8959 11 D 4.5621 8.0083 119.2227 56.4008 40.8380 179.0461 12 G 3.7197 7.8494 106.3210 47.7375 0.0000 176.0667 13 I 3.5747 7.5305 122.1914 64.2182 37.0164 178.7061 14 T 3.8508 7.6657 116.3025 66.3248 68.0887 176.4334 15 E 3.9546 7.9824 120.6936 59.6272 29.3556 179.8834 16 V 3.6350 7.5004 117.7124 64.9024 31.3869 178.0632 17 L 3.9308 7.8131 119.4994 57.4241 41.1397 179.2136 18 N 4.3957 7.9868 115.9637 56.1040 38.5960 177.3240 19 V 3.7967 7.6077 119.6250 65.6829 31.4966 176.3807 20 Y 4.6989 7.4467 117.7410 58.3608 38.5435 176.3911 *22 N 4.5397 8.0982 117.6024 52.8434 40.8971 176.6780 23 A 3.9924 7.7114 120.4387 54.7051 18.8909 179.3524 24 A 3.5882 7.8400 118.8962 54.0753 18.6228 178.8873 25 E 4.1924 7.6794 115.2455 57.6590 30.4414 176.5863 26 S 4.5103 8.3253 109.7290 57.5604 65.5058 173.1575 27 G 4.2825 7.7673 109.2546 43.5208 0.0000 172.1147 28 T 4.4907 8.1185 109.3722 59.6425 70.9636 175.6745 29 G 3.8330 9.0090 112.4896 49.2570 0.0000 175.8636 30 E 3.9513 7.8609 115.6728 58.6806 29.9125 181.5666 31 E 4.2568 7.6927 117.3480 56.8071 29.1379 178.7433 *33 S 4.2876 8.4199 114.6101 58.1385 64.0144 175.3109 34 A 4.0213 7.8162 122.0601 54.4936 18.3240 177.6123 35 A 4.5749 8.2466 115.9579 52.0407 20.1668 176.5859 36 F 5.3404 8.2544 114.1700 55.3865 42.3599 175.0055 37 H 4.4121 9.2412 124.3748 56.7138 30.5014 177.1977 38 K 4.1951 8.5234 123.6558 56.9627 31.6949 178.4328 39 D 5.0791 8.1590 116.3252 54.0466 41.6224 176.0416 40 A 5.1736 8.1034 120.1576 52.0463 19.3885 177.7233 41 T 4.8846 8.4388 108.1636 60.1090 73.2017 172.7965 42 I 5.5428 8.1523 122.1576 59.7075 41.4639 173.5297 43 F 5.1343 8.8174 127.4936 55.3631 42.7578 174.6223 44 G 3.1312 7.9337 108.9238 45.9930 0.0000 171.3933 45 Y 4.9282 8.1636 119.8917 56.2307 39.8345 176.1105 46 V 4.2295 8.6629 124.1544 61.6409 32.5107 176.8321 47 G 3.9965 8.4375 121.2483 46.8691 0.0000 174.2096 48 D 4.5204 8.8500 124.3686 54.2956 40.5901 175.6046 49 K 4.5492 7.8286 119.7094 54.2475 32.9685 181.9411 50 L 4.3894 8.1160 126.3024 52.3559 40.4377 175.6606 51 A 3.8223 8.0104 125.0456 53.8697 19.0526 178.1542 52 F 4.5544 8.0366 115.4216 55.9323 39.9552 175.7689 53 N 4.6460 9.3430 123.8183 50.3757 37.2998 173.9655 54 G 3.1136 6.5901 113.2164 44.9363 0.0000 171.8938 55 P 4.2736 0.0000 0.0000 62.2681 32.2422 177.4801 56 I 3.5529 8.2646 122.7726 62.6235 38.6933 177.2742 57 K 3.9923 8.1358 120.9812 60.1074 31.7634 177.9974 58 D 4.3933 7.7947 119.1087 57.0348 40.7513 178.5340 59 L 4.1151 7.4581 120.4655 58.5468 41.5742 178.7469 60 Y 4.5097 7.2251 116.1267 61.1382 37.8129 178.0927 61 D 4.4809 8.3996 120.1141 57.1910 40.9778 178.5407 62 W 4.2932 8.6710 128.5889 60.1157 30.7882 177.2147 63 H 4.0578 8.5169 117.7505 58.2090 29.1754 176.9075 64 N 4.3239 7.8560 117.7693 56.1375 38.5005 177.3399 65 S 4.1938 7.7347 115.4775 61.7656 63.1197 176.0898 66 N 4.2677 7.5748 118.3278 53.7247 38.7367 175.9525 67 G 3.8655 7.2658 105.0089 43.9540 0.0000 171.0975 68 P 4.1170 0.0000 0.0000 62.4516 31.9106 177.5147 69 A 4.3217 8.1162 128.8139 50.7996 17.3760 178.5253 70 K 4.0390 8.2061 122.9759 57.1210 32.1249 177.5001 71 N 4.8265 7.8657 112.5455 53.0920 38.9538 175.2814 72 V 4.2591 7.4383 119.3874 61.3074 32.5038 175.6781 73 Q 4.6372 9.1243 123.2362 54.3405 30.8091 174.4777 74 S 5.4624 8.6985 118.5566 56.7306 65.6831 173.4157 75 R 4.7503 8.7069 123.6207 54.8223 34.6996 174.4933 76 I 4.5844 8.5899 125.3986 61.6858 37.3535 175.8440 77 T 4.6241 8.8750 115.4800 61.6306 70.9855 173.8538 78 N 4.8563 7.9264 121.0339 52.4978 42.6033 172.8700 79 I 4.6615 8.4653 126.6388 59.7272 39.9037 174.5435 80 D 4.7817 9.1012 129.0571 52.7123 42.5887 174.8184 81 I 4.7399 8.2641 126.9834 59.6116 39.5333 177.0064 82 V 4.3655 8.6674 125.6811 60.3877 33.3763 177.9022 83 G 3.9161 9.2623 122.1931 47.3704 0.0000 172.1559 84 T 4.1160 9.0320 117.4388 61.7026 70.9172 175.0318 85 V 5.3349 7.4356 114.5171 60.0241 36.1380 174.0848 86 A 4.9846 8.5323 121.4643 51.6746 22.9905 174.7764 87 H 5.5090 9.1173 119.0732 54.5883 33.2159 172.8676 88 A 5.6550 8.4900 124.0495 50.2211 23.0241 174.9711 89 R 5.2364 8.6000 120.0602 54.6057 33.7481 174.5372 90 V 5.0438 8.9864 123.9462 61.3358 35.6691 173.6206 91 E 5.2834 9.5468 126.8715 54.6918 31.9328 174.6456 92 A 5.4811 9.0588 126.4713 50.3303 22.0754 175.0570 93 E 4.9374 8.9195 120.0968 54.8529 34.1800 175.3477 94 N 4.2611 8.8809 118.2345 54.3214 37.6883 174.3679 95 W 4.6132 8.3903 127.5783 57.8461 29.1193 175.4850 96 T 3.4409 9.2814 118.9828 62.2639 67.1620 173.3761 97 N 4.4815 8.1204 116.8448 54.5630 39.3478 173.4420 98 F 4.8745 7.7982 116.3146 57.1986 41.2844 174.5103 99 K 4.9711 8.2095 122.3177 54.7572 34.6842 174.7598 100 F 5.6441 9.1255 125.4554 55.8494 43.3115 174.5054 101 S 5.1869 8.9673 116.1356 57.1635 66.1246 172.7998 102 D 5.0746 9.3757 126.0091 52.5560 42.9731 175.4359 103 L 4.9850 8.3215 124.1812 53.0680 43.9109 175.7253 104 F 5.4323 9.3853 122.8569 55.6010 42.7507 174.3881 105 L 5.3275 8.7169 120.8272 53.1205 44.6155 175.8291 106 L 5.4094 9.2988 122.8299 52.9754 46.1234 175.0309 107 L 4.7942 8.9627 121.1810 53.4013 45.6315 175.8417 108 K 3.8203 8.0643 129.6089 54.5655 29.8933 175.7410 109 L 3.8665 7.7139 125.2446 56.0378 41.4492 176.6898 110 D 4.5112 9.2056 127.1835 54.1253 36.8696 172.9121 111 G 3.8549 8.4708 108.1478 45.4875 0.0000 173.8802 112 K 4.5308 7.0785 118.7482 53.8573 34.1859 176.3648 113 W 4.5049 8.7974 125.6273 57.4040 29.8601 175.6363 114 T 4.6504 8.9037 116.9118 60.8845 71.2313 172.4523 115 I 4.2869 8.2773 128.7032 61.2821 37.7996 176.7980 116 V 4.3723 8.9365 120.5018 62.0281 33.8905 175.7114 117 N 5.4391 8.0871 116.6646 51.5676 43.4340 173.4603 118 K 4.9132 9.0656 122.9150 55.0810 36.0580 175.3541 119 V 5.2210 8.6894 119.6375 58.6642 35.7867 174.4534 120 F 5.9176 7.9281 115.8598 55.7710 41.2305 172.8483 121 H 4.7856 8.9443 119.0673 54.3442 32.9034 171.8334 122 L 4.7323 8.5096 128.2122 53.9747 42.3069 175.6722 123 H 4.3393 8.6732 124.5890 55.4327 29.4518 175.9765 124 A 4.1501 8.5873 124.1838 52.5831 18.2375 177.2498 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 0 G 8.35 3.76 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 0.00 0.00 0.00 *2 S 8.22 4.20 0.00 3.88 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 3 V 8.14 4.20 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 0.78 0.00 0.00 0.95 0.00 0.00 4 K 7.59 3.75 0.00 1.67 1.77 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.41 7.81 5 V 8.49 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 0.85 0.00 0.00 0.94 0.00 0.00 6 S 8.33 4.88 0.00 4.08 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 7 V 8.27 3.63 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 1.05 0.00 0.00 0.93 0.00 0.00 8 D 8.01 4.31 0.00 2.86 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 9 D 7.98 4.56 0.00 2.72 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 10 I 7.67 3.57 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.85 0.00 0.00 11 D 8.01 4.56 0.00 2.94 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 12 G 7.85 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 0.00 0.00 0.00 13 I 7.53 3.57 1.53 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.36 0.62 0.00 0.00 14 T 7.67 3.85 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 15 E 7.98 3.95 0.00 2.23 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 2.34 2.43 0.00 16 V 7.50 3.64 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 0.73 0.00 0.00 0.83 0.00 0.00 17 L 7.81 3.93 0.00 1.81 1.66 0.76 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.99 4.40 0.00 2.94 2.87 0.00 0.00 6.96 7.10 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 19 V 7.61 3.80 2.29 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 1.05 0.00 0.00 1.00 0.00 0.00 20 Y 7.45 4.70 0.00 3.07 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 *22 N 8.10 4.54 0.00 2.91 2.85 0.00 0.00 6.92 7.17 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 23 A 7.71 3.99 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 24 A 7.84 3.59 0.27 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 25 E 7.68 4.19 0.00 1.73 1.96 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 2.11 2.30 0.00 26 S 8.33 4.51 0.00 3.77 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 27 G 7.77 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 28 T 8.12 4.49 4.39 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 1.20 0.00 0.00 29 G 9.01 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 0.00 0.00 0.00 30 E 7.86 3.95 0.00 1.96 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 2.26 2.15 0.00 31 E 7.69 4.26 0.00 2.32 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 2.32 2.24 0.00 *33 S 8.42 4.29 0.00 2.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 4.02 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 35 A 8.25 4.57 1.25 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 0.00 0.00 36 F 8.25 5.34 0.00 3.09 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 37 H 9.24 4.41 0.00 3.31 3.28 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.52 4.20 0.00 1.81 1.72 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.04 7.81 39 D 8.16 5.08 0.00 2.74 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 40 A 8.10 5.17 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.44 4.88 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 1.31 0.00 0.00 42 I 8.15 5.54 1.70 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.57 0.89 0.00 0.00 43 F 8.82 5.13 0.00 2.91 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 44 G 7.93 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 0.00 0.00 0.00 45 Y 8.16 4.93 0.00 2.76 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 46 V 8.66 4.23 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 0.78 0.00 0.00 1.04 0.00 0.00 47 G 8.44 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 48 D 8.85 4.52 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.55 0.00 1.67 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 0.98 7.81 50 L 8.12 4.39 0.00 1.10 1.41 0.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.01 3.82 1.02 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 52 F 8.04 4.55 0.00 3.14 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 53 N 9.34 4.65 0.00 2.72 2.74 0.00 0.00 6.28 7.00 0.00 0.00 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 G 6.59 3.11 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 55 P 0.00 4.27 0.00 2.10 1.97 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 56 I 8.26 3.55 1.88 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.20 1.00 0.00 0.00 57 K 8.14 3.99 0.00 1.90 1.80 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.64 7.81 58 D 7.79 4.39 0.00 2.85 2.60 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 0.00 0.00 0.00 0.00 59 L 7.46 4.12 0.00 1.46 1.19 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.23 4.51 0.00 3.11 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 61 D 8.40 4.48 0.00 2.96 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 62 W 8.67 4.29 0.00 3.51 3.61 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 63 H 8.52 4.06 0.00 3.77 3.49 0.00 5.83 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.86 4.32 0.00 2.90 2.86 0.00 0.00 7.02 8.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.73 4.19 0.00 3.78 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 66 N 7.57 4.27 0.00 1.75 2.01 0.00 0.00 7.42 7.51 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 67 G 7.27 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 68 P 0.00 4.12 0.00 1.96 1.97 0.00 3.57 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 69 A 8.12 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.21 4.04 0.00 1.79 1.75 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.04 7.81 71 N 7.87 4.83 0.00 2.68 2.85 0.00 0.00 6.93 7.68 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 72 V 7.44 4.26 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 0.66 0.00 0.00 1.07 0.00 0.00 73 Q 9.12 4.64 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 74 S 8.70 5.46 0.00 3.88 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 75 R 8.71 4.75 0.00 1.80 1.79 0.00 3.36 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 76 I 8.59 4.58 1.88 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 1.43 0.49 0.96 0.00 0.00 77 T 8.88 4.62 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 1.32 0.00 0.00 78 N 7.93 4.86 0.00 2.85 2.66 0.00 0.00 6.99 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 79 I 8.47 4.66 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.73 0.72 0.00 0.00 80 D 9.10 4.78 0.00 2.80 2.59 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 81 I 8.26 4.74 1.84 0.00 0.00 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 1.08 0.63 0.87 0.00 0.00 82 V 8.67 4.37 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 0.88 0.00 0.00 0.97 0.00 0.00 83 G 9.26 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 9.03 4.12 4.13 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 1.15 0.00 0.00 85 V 7.44 5.33 2.20 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 0.82 0.00 0.00 1.07 0.00 0.00 86 A 8.53 4.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 5.51 0.00 3.25 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.49 5.66 1.17 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 0.00 0.00 89 R 8.60 5.24 0.00 1.91 1.79 0.00 3.19 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 90 V 8.99 5.04 2.57 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 1.32 0.00 0.00 1.17 0.00 0.00 91 E 9.55 5.28 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 92 A 9.06 5.48 1.77 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 0.00 0.00 93 E 8.92 4.94 0.00 1.95 1.84 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 2.24 2.27 0.00 94 N 8.88 4.26 0.00 2.87 3.00 0.00 0.00 6.72 7.95 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 95 W 8.39 4.61 0.00 3.87 3.51 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 96 T 9.28 3.44 4.15 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 1.30 0.00 0.00 97 N 8.12 4.48 0.00 2.74 2.69 0.00 0.00 7.01 7.54 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 98 F 7.80 4.87 0.00 2.95 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 0.00 0.00 0.00 0.00 99 K 8.21 4.97 0.00 1.76 1.58 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.49 7.81 100 F 9.13 5.64 0.00 3.07 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 0.00 101 S 8.97 5.19 0.00 3.89 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 0.00 102 D 9.38 5.07 0.00 2.82 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.98 0.00 1.53 1.62 0.91 0.70 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 0.00 104 F 9.39 5.43 0.00 2.92 2.81 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 0.00 105 L 8.72 5.33 0.00 1.84 1.61 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.30 5.41 0.00 1.72 1.91 0.94 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.96 4.79 0.00 1.75 1.46 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.06 3.82 0.00 0.79 1.04 0.00 1.34 0.00 0.00 1.29 0.00 0.00 2.49 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.80 0.21 7.81 109 L 7.71 3.87 0.00 1.74 1.54 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.21 4.51 0.00 2.90 2.61 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 0.00 111 G 8.47 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.08 4.53 0.00 1.92 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.24 7.81 113 W 8.80 4.50 0.00 3.16 3.10 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 0.00 114 T 8.90 4.65 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 1.35 0.00 0.00 115 I 8.28 4.29 1.12 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.37 0.95 0.00 0.00 116 V 8.94 4.37 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 0.89 0.00 0.00 1.05 0.00 0.00 117 N 8.09 5.44 0.00 2.71 2.73 0.00 0.00 6.54 6.93 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 0.00 118 K 9.07 4.91 0.00 2.03 1.75 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.62 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 0.84 7.81 119 V 8.69 5.22 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 1.03 0.00 0.00 0.93 0.00 0.00 120 F 7.93 5.92 0.00 2.85 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 0.00 121 H 8.94 4.79 0.00 3.20 3.16 0.00 5.85 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.51 4.73 0.00 1.89 1.62 0.62 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.67 4.34 0.00 3.09 3.26 0.00 5.71 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 0.00 124 A 8.59 4.15 1.25 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.