NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.7922 8.4444 116.3261 55.4488 30.1616 171.7907 5 D 4.8060 8.1228 118.6307 49.9886 43.7726 175.2551 6 K 4.0059 9.6474 125.7772 59.7011 33.3839 177.1998 7 S 4.6225 8.3176 113.2433 57.8059 63.0264 173.3806 8 R 4.5303 7.8437 121.4342 53.7357 31.7327 175.1355 9 L 3.8958 8.6033 127.1704 55.4095 42.5602 176.1609 10 V 4.2197 8.1840 124.8281 61.3416 32.1346 175.0406 11 R 4.4361 8.3298 126.4732 54.8246 31.5170 176.1704 12 I 4.0793 8.0299 122.5779 59.9892 37.7106 175.1421 13 D 4.5132 8.6639 126.4390 54.0682 40.9671 175.4938 14 T 4.4184 8.4730 116.2639 61.4273 69.3513 175.5615 15 G 4.0580 8.3184 112.3581 44.5279 0.0000 174.0277 16 P 4.5083 0.0000 0.0000 62.3123 30.4779 178.9482 *18 I 3.7718 8.2934 129.4268 63.0965 37.8891 175.1736 19 N 4.1824 8.9068 124.6853 53.6595 35.7916 172.7599 20 P 4.6389 0.0000 0.0000 63.0238 33.0620 177.1299 21 V 4.2441 8.8095 122.0880 61.7574 33.0213 174.8722 22 A 4.8135 8.6604 129.8795 51.9347 19.6895 176.3513 23 G 4.2552 8.8666 107.4885 45.3410 0.0000 171.5849 24 K 4.4160 8.1100 117.8711 53.1540 36.1060 175.2445 25 P 4.2896 0.0000 0.0000 62.9231 31.6276 176.7947 26 S 4.3379 8.6121 114.8327 60.1472 64.2906 174.1656 27 R 4.9148 7.6094 119.5932 54.1636 29.4969 173.2095 28 P 4.5591 0.0000 0.0000 63.4726 32.2761 176.7342 29 I 4.4753 9.0354 120.8924 62.2010 38.5761 175.3461 30 A 4.5986 8.3542 121.4821 51.6053 23.3708 176.5280 31 G 3.8114 8.9050 108.0374 44.7919 0.0000 172.4170 32 D 5.0358 8.1691 114.5126 51.9653 38.6223 176.3203 33 A 4.3242 8.6060 119.3901 53.1456 19.4221 178.3543 34 S 4.2959 8.8710 115.2928 56.4495 67.0557 173.0065 35 F 5.9383 8.7653 119.6353 55.2290 42.2608 174.7403 36 R 5.1737 8.0833 118.9792 54.8991 34.0729 174.4189 37 T 5.2614 8.9496 119.3002 61.7994 73.1206 173.0919 38 V 4.7223 8.8669 124.2642 61.4199 34.7323 174.4777 39 T 4.5340 8.8034 124.7590 63.5275 68.5265 174.4018 40 A 4.5402 8.9023 128.3640 53.2762 20.6748 177.0290 41 F 4.8182 7.7280 115.7811 57.2932 43.0640 173.0037 42 E 4.8126 7.7371 123.9908 54.8217 33.1325 174.9113 43 G 3.7563 8.8306 111.0981 45.7646 0.0000 172.1731 44 G 3.8522 9.1199 104.7996 47.9627 0.0000 173.4320 45 Q 3.3607 9.3349 112.5656 56.5946 26.1637 175.2675 46 G 3.8892 8.1526 105.7952 46.0349 0.0000 173.9057 47 K 4.3026 7.7460 120.1857 55.0892 32.5643 181.6594 48 V 4.9041 7.8050 117.6488 61.6765 34.4058 174.0958 49 E 5.1555 8.8807 127.4920 54.8147 33.6082 173.7687 50 S 4.4460 8.8746 118.9995 56.7535 66.5663 174.0333 51 G 3.5190 6.0557 110.2640 45.7890 0.0000 171.5843 52 V 5.0133 7.8115 119.6369 60.9748 34.8004 175.9353 53 W 5.6718 9.5194 135.0000 55.7550 34.6328 173.2444 54 E 4.8610 8.6391 126.1109 54.2936 32.8694 174.2332 55 S 4.9862 8.1934 119.7877 56.7008 66.2069 173.9543 56 T 4.7391 8.0966 116.4159 60.5918 70.9268 174.1613 57 S 4.5574 8.6624 115.5898 58.2436 64.6540 174.7708 58 G 4.3287 7.6130 109.8552 44.6372 0.0000 171.1617 59 S 5.2111 8.4915 114.2081 56.7226 66.4768 173.2293 60 F 5.2882 8.2286 114.5595 56.3669 41.3003 172.3763 61 Q 4.9228 9.2014 122.5608 55.2747 30.4406 175.4275 62 S 4.8571 9.2205 122.1261 58.3327 65.2444 173.4785 63 N 4.8585 8.6641 121.1877 52.8091 40.4949 173.5839 64 T 3.6486 8.7014 119.1580 61.0606 69.5588 175.2064 65 T 4.1037 7.7900 119.6576 66.3881 68.8256 174.9710 66 G 4.1451 11.2176 115.9484 45.1803 0.0000 171.8853 67 Y 5.3017 7.7126 116.6165 56.0567 42.1268 173.5296 68 I 4.8138 8.8141 120.7647 59.4850 40.2085 174.3970 69 E 5.2519 8.7591 126.7515 54.6197 32.7538 173.6295 70 Y 4.7401 9.5099 128.8391 56.9794 40.6887 173.8263 71 C 5.0754 8.0642 123.2502 57.9642 32.4791 172.7059 72 H 4.6987 8.7820 121.8081 54.1010 32.6502 172.4007 73 I 4.5320 8.8537 128.9451 61.5921 37.3594 176.8717 74 I 4.7101 8.8492 120.3998 61.3532 39.6956 175.3925 75 E 4.5464 8.3525 122.1827 56.1788 32.7513 176.2241 76 G 4.3535 9.8566 112.6307 46.1146 0.0000 171.7628 77 E 5.0860 8.5419 116.9827 56.1045 32.4875 174.2463 78 A 4.8048 8.9437 121.6846 51.5601 23.7277 175.0257 79 R 4.9322 8.9760 117.7533 54.4721 33.6480 175.3184 80 L 4.6235 8.3785 123.0462 52.8294 44.3329 175.6019 81 V 4.7310 8.4502 123.6411 60.9083 33.9188 175.0384 82 D 4.7954 8.9614 128.4871 53.4056 41.4678 175.7403 83 P 4.1384 0.0000 0.0000 65.9854 31.2675 177.3876 84 D 4.4298 7.9176 114.2594 53.9834 39.6156 176.9167 85 G 3.9163 8.2545 109.3237 45.1260 0.0000 173.9175 86 T 3.8640 8.1326 118.0767 63.7606 69.3371 173.3433 87 V 4.3890 8.2104 126.7954 61.7193 33.2012 174.5580 88 H 4.7480 9.1345 125.2591 53.8402 30.9604 173.0777 89 A 4.4682 8.4802 126.3464 51.3514 19.2260 176.6953 90 V 4.7790 8.8566 116.7583 59.5795 35.4345 175.1702 91 K 5.3081 9.4632 121.9643 54.1471 36.9254 175.1555 92 A 4.3389 8.6821 122.5120 54.4515 18.2685 177.9408 93 G 4.0869 9.4015 112.4271 45.0298 0.0000 173.3883 94 D 4.6832 8.1851 120.4289 53.8712 42.0502 175.3154 95 A 4.9621 8.3806 124.4609 50.1721 21.7957 175.0906 96 F 4.7353 7.8630 114.9989 56.3016 41.6585 173.0384 97 I 4.9173 8.1965 119.8439 58.6398 39.0491 172.7604 *99 P 4.1818 0.0000 0.0000 62.8956 32.2796 175.7331 100 E 4.5181 7.9484 118.7729 57.2098 29.7884 176.5530 101 G 3.8465 8.5715 112.8840 46.3416 0.0000 172.3441 102 Y 4.3724 8.0070 122.0314 56.8260 39.8914 175.8098 103 T 4.9836 7.0059 116.7746 60.3572 69.9384 174.2268 104 G 3.8018 6.3627 110.0948 46.0262 0.0000 172.8981 105 R 5.3610 8.6789 115.2529 54.1225 33.1011 174.6485 106 W 4.9347 9.1101 120.6739 55.3813 31.4402 175.2373 107 E 4.6454 9.2979 123.7158 54.6860 32.2489 175.2551 108 V 4.5244 8.9868 126.5707 61.1853 32.5927 176.0213 109 D 4.3966 8.9316 129.1262 56.8603 40.8657 176.6188 110 R 4.5480 7.3965 116.2723 56.1123 31.8496 174.4732 111 H 4.9816 7.9105 114.7138 55.5459 33.3426 172.3633 112 V 5.0547 8.1345 123.4503 60.4714 35.2204 173.5663 113 K 5.3158 9.2379 121.2476 54.8155 36.4878 175.4396 114 K 5.2670 9.6365 122.0577 55.5293 36.8448 174.9825 115 I 4.8153 8.8528 122.7738 60.6280 38.9042 174.6030 116 Y 5.3875 8.5793 124.0861 55.3027 41.7026 174.6406 117 F 4.8370 9.3839 122.7735 57.0092 42.8733 173.1197 118 V 5.0957 8.9278 127.2921 61.2088 34.4296 174.3124 119 T 5.0525 8.8772 117.4316 60.2192 71.1604 172.7635 120 H 5.0124 9.5669 125.1453 55.1700 29.8397 175.9004 121 L 4.3334 8.8885 122.0969 54.9710 41.6659 176.4281 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 4 H 8.44 4.79 0.00 3.41 3.46 0.00 5.43 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.12 4.81 0.00 2.81 2.53 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 6 K 9.65 4.01 0.00 2.20 1.99 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.05 7.81 7 S 8.32 4.62 0.00 4.05 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 8 R 7.84 4.53 0.00 1.74 1.82 0.00 3.34 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 9 L 8.60 3.90 0.00 1.61 1.56 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.18 4.22 2.02 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 0.99 0.00 0.00 1.13 0.00 0.00 11 R 8.33 4.44 0.00 1.83 1.82 0.00 3.24 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 12 I 8.03 4.08 1.85 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 1.27 0.47 0.89 0.00 0.00 13 D 8.66 4.51 0.00 2.63 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 14 T 8.47 4.42 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 1.23 0.00 0.00 15 G 8.32 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 0.00 0.00 0.00 16 P 0.00 4.51 0.00 2.06 1.48 0.00 3.72 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 2.04 2.14 0.00 *18 I 8.29 3.77 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 1.43 0.76 0.92 0.00 0.00 19 N 8.91 4.18 0.00 2.86 2.87 0.00 0.00 7.19 8.02 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 20 P 0.00 4.64 0.00 2.08 2.07 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 21 V 8.81 4.24 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 0.93 0.00 0.00 0.95 0.00 0.00 22 A 8.66 4.81 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 23 G 8.87 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 0.00 0.00 0.00 0.00 24 K 8.11 4.42 0.00 1.66 1.38 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 0.99 7.81 25 P 0.00 4.29 0.00 2.13 1.62 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.41 0.00 26 S 8.61 4.34 0.00 4.03 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 27 R 7.61 4.91 0.00 2.05 1.95 0.00 3.41 0.00 0.00 3.45 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 28 P 0.00 4.56 0.00 2.11 2.06 0.00 3.84 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 29 I 9.04 4.48 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.94 0.00 0.00 30 A 8.35 4.60 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 31 G 8.91 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 0.00 0.00 0.00 32 D 8.17 5.04 0.00 2.58 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 33 A 8.61 4.32 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 34 S 8.87 4.30 0.00 3.70 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 35 F 8.77 5.94 0.00 2.75 2.41 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 36 R 8.08 5.17 0.00 1.71 1.76 0.00 3.22 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 37 T 8.95 5.26 4.33 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 1.40 0.00 0.00 38 V 8.87 4.72 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 1.14 0.00 0.00 0.97 0.00 0.00 39 T 8.80 4.53 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 1.29 0.00 0.00 40 A 8.90 4.54 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 41 F 7.73 4.82 0.00 3.07 2.75 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 42 E 7.74 4.81 0.00 1.62 1.61 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 2.11 2.19 0.00 43 G 8.83 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 44 G 9.12 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 45 Q 9.33 3.36 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 46 G 8.15 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 0.00 0.00 0.00 47 K 7.75 4.30 0.00 1.73 1.82 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.24 7.81 48 V 7.81 4.90 2.28 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 0.86 0.00 0.00 1.02 0.00 0.00 49 E 8.88 5.16 0.00 2.01 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 2.35 2.25 0.00 50 S 8.87 4.45 0.00 3.63 3.58 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 51 G 6.06 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 0.00 0.00 0.00 52 V 7.81 5.01 2.16 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 53 W 9.52 5.67 0.00 3.32 2.86 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 54 E 8.64 4.86 0.00 1.93 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 0.00 0.00 0.00 1.99 2.09 0.00 55 S 8.19 4.99 0.00 2.76 3.32 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 56 T 8.10 4.74 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 1.22 0.00 0.00 57 S 8.66 4.56 0.00 4.14 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 58 G 7.61 4.33 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 0.00 0.00 0.00 59 S 8.49 5.21 0.00 3.87 3.93 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 60 F 8.23 5.29 0.00 3.36 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 61 Q 9.20 4.92 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 62 S 9.22 4.86 0.00 4.26 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 63 N 8.66 4.86 0.00 2.73 2.76 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 64 T 8.70 3.65 3.30 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 1.17 0.00 0.00 65 T 7.79 4.10 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 1.23 0.00 0.00 66 G 11.22 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 0.00 0.00 0.00 0.00 67 Y 7.71 5.30 0.00 3.03 2.90 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 68 I 8.81 4.81 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 0.98 0.00 0.00 69 E 8.76 5.25 0.00 2.33 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 0.00 2.33 2.42 0.00 70 Y 9.51 4.74 0.00 2.99 2.99 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 71 C 8.06 5.08 0.00 1.23 2.21 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 72 H 8.78 4.70 0.00 3.12 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.85 4.53 2.10 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.84 1.09 0.00 0.00 74 I 8.85 4.71 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.99 0.00 0.00 75 E 8.35 4.55 0.00 2.10 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 2.38 2.37 0.00 76 G 9.86 4.35 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 77 E 8.54 5.09 0.00 2.10 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 2.24 2.28 0.00 78 A 8.94 4.80 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.98 4.93 0.00 1.66 1.69 0.00 3.04 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 80 L 8.38 4.62 0.00 0.99 1.21 0.11 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.45 4.73 2.02 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 0.96 0.00 0.00 0.86 0.00 0.00 82 D 8.96 4.80 0.00 2.75 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 83 P 0.00 4.14 0.00 1.96 2.06 0.00 3.54 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 84 D 7.92 4.43 0.00 2.74 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 85 G 8.25 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 86 T 8.13 3.86 4.35 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 1.05 0.00 0.00 87 V 8.21 4.39 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 0.71 0.00 0.00 0.90 0.00 0.00 88 H 9.13 4.75 0.00 2.72 2.93 0.00 5.66 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 89 A 8.48 4.47 1.18 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 0.00 0.00 90 V 8.86 4.78 2.13 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 0.33 0.00 0.00 0.86 0.00 0.00 91 K 9.46 5.31 0.00 1.81 1.89 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.25 7.81 92 A 8.68 4.34 1.33 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 0.00 0.00 93 G 9.40 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 94 D 8.19 4.68 0.00 2.80 2.66 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 0.00 95 A 8.38 4.96 1.09 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 96 F 7.86 4.74 0.00 2.95 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 97 I 8.20 4.92 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.75 0.98 0.00 0.00 *99 P 0.00 4.18 0.00 2.23 2.12 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 100 E 7.95 4.52 0.00 1.95 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 0.00 2.34 2.23 0.00 101 G 8.57 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 0.00 102 Y 8.01 4.37 0.00 3.19 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.01 4.98 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 1.19 0.00 0.00 104 G 6.36 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 0.00 0.00 0.00 105 R 8.68 5.36 0.00 2.04 2.02 0.00 2.75 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 106 W 9.11 4.93 0.00 2.09 2.92 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 0.00 107 E 9.30 4.65 0.00 1.82 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 2.19 2.17 0.00 108 V 8.99 4.52 2.48 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 1.23 0.00 0.00 1.32 0.00 0.00 109 D 8.93 4.40 0.00 2.75 2.75 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 0.00 110 R 7.40 4.55 0.00 1.80 1.88 0.00 3.30 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 111 H 7.91 4.98 0.00 3.19 3.09 0.00 5.71 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.13 5.05 2.48 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 0.91 0.00 0.00 1.28 0.00 0.00 113 K 9.24 5.32 0.00 1.75 1.76 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.32 1.38 7.81 114 K 9.64 5.27 0.00 1.98 2.14 0.00 1.32 0.00 0.00 1.54 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.70 1.57 7.81 115 I 8.85 4.82 1.97 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 1.30 0.64 1.01 0.00 0.00 116 Y 8.58 5.39 0.00 3.09 2.92 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 0.00 117 F 9.38 4.84 0.00 3.09 2.92 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 0.00 118 V 8.93 5.10 2.02 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 0.57 0.00 0.00 0.93 0.00 0.00 119 T 8.88 5.05 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 1.47 0.00 0.00 120 H 9.57 5.01 0.00 3.13 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.89 4.33 0.00 1.66 1.61 0.96 0.77 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 * Residues marked with a * may have inaccurate shift predictions.