NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3255 8.2649 123.5835 50.8915 19.9529 176.4632 3 P 4.3219 0.0000 0.0000 62.3553 32.1188 172.3319 4 E 4.5829 8.7408 125.1027 54.3631 31.7034 173.6170 5 P 4.6667 0.0000 0.0000 62.3002 32.4376 175.6693 6 L 4.0703 7.8848 122.7321 55.9452 42.4496 177.2116 7 S 4.5894 8.6225 120.1953 56.6862 65.2430 174.7631 8 A 3.9333 8.5865 121.7830 55.4392 17.9559 179.6798 9 A 3.9886 8.0206 118.7782 55.0997 18.4685 179.9383 10 G 3.4977 7.9061 104.2648 48.0375 0.0000 175.6884 11 Q 3.9847 8.3646 122.7499 58.8781 28.9565 177.8771 12 N 4.2681 8.4478 118.2434 56.5559 38.8499 176.9298 13 L 3.9721 7.8203 120.4680 57.7017 41.6444 179.2787 14 I 3.6971 7.7837 119.7574 64.6956 37.0608 178.2578 15 D 4.3431 8.3458 119.6898 57.4657 40.6078 178.9869 16 T 3.8203 8.2207 116.2937 66.7240 68.4840 176.6399 17 A 4.0372 8.1884 122.6955 55.2993 18.2894 179.8387 18 T 3.8052 8.1920 114.5341 67.0326 68.3607 177.0631 19 S 4.1128 7.9534 115.6410 61.4216 63.2178 176.7674 20 V 3.7092 7.8963 120.8992 66.2058 31.5585 178.0846 21 I 3.7858 7.9870 118.3891 63.9751 37.6134 177.3462 22 N 4.6977 8.3838 116.4815 55.0307 38.4825 176.4716 23 G 3.9828 7.5931 105.4660 43.7132 0.0000 173.2643 24 I 4.6828 6.5635 112.4161 57.6160 40.4935 173.6898 25 P 4.1988 0.0000 0.0000 63.4436 31.6346 177.4673 26 V 3.7523 8.3400 119.8002 61.1529 31.7876 173.7103 27 S 4.7420 8.3210 118.4558 55.6937 65.4218 174.3381 28 D 4.1314 8.7471 128.1182 56.9233 41.2092 178.0586 *29 F 4.2440 7.8428 117.4484 57.8990 38.6771 180.0755 30 Y 5.7849 7.0604 116.1258 56.2898 38.0360 174.7970 31 S 4.8083 9.4370 115.2519 57.8608 65.7179 174.8046 32 V 4.8813 7.9738 120.4548 61.2993 34.9961 173.6785 33 A 5.3584 9.0340 129.0369 50.4362 22.0181 175.3782 34 S 5.2281 9.0714 113.7202 56.5552 66.5671 172.7321 35 A 5.3273 8.8330 124.9272 50.3649 22.6736 174.9984 36 A 5.1772 9.2733 122.0672 50.1779 23.3691 174.6964 37 I 5.0180 8.4857 119.9192 59.2346 41.1197 175.4199 38 S 5.2684 8.8434 123.9117 56.9668 64.8881 174.8820 39 D 4.4099 8.8318 120.5210 56.4525 39.0340 177.2656 40 D 4.4922 7.5790 117.1914 53.5646 39.4039 177.0972 41 G 3.9173 8.1680 108.3253 45.6543 0.0000 174.0085 42 R 4.1024 7.8622 118.6735 55.1872 31.1103 175.2525 43 V 4.6348 7.5837 120.6301 61.0938 33.5375 174.7219 44 F 5.1725 9.1595 126.2636 55.7508 42.4287 174.2989 45 S 5.2526 8.5236 115.7865 57.1379 66.7607 172.3705 46 G 4.0939 8.2276 106.3128 46.1296 0.0000 172.2197 47 V 5.1838 8.2785 118.8961 60.4736 34.7087 174.7754 48 N 4.7928 8.8781 123.0165 53.1315 38.6421 174.9370 49 V 4.4907 8.8647 119.4602 61.1353 33.9059 173.4794 50 Y 4.3134 8.7280 130.1702 57.4612 39.2207 174.3200 51 H 4.8032 7.9875 124.9091 54.6743 32.8795 174.1896 52 F 4.1731 8.5773 120.6601 59.5431 37.8766 175.6464 53 N 4.3007 7.4701 117.1018 53.2652 38.2465 174.9214 54 G 3.6787 8.0417 106.0951 45.1879 0.0000 174.5787 55 G 4.4045 8.1372 105.1599 44.8813 0.0000 172.6107 56 P 4.5679 0.0000 0.0000 62.5095 32.7850 175.7756 57 C 4.6087 8.7257 119.3932 59.6711 29.2628 174.4227 58 A 4.0249 8.9030 122.2572 55.7610 17.6566 179.9556 59 E 3.9484 8.1746 116.3230 59.6557 29.7119 179.4932 60 L 4.0222 7.8708 118.5428 57.5071 41.7418 179.3879 61 V 3.5866 7.8020 118.3829 66.0625 31.4002 178.1369 62 V 3.6213 7.9442 117.8735 66.1176 31.2972 177.8594 63 L 4.0398 8.0531 118.7617 57.8700 41.4525 179.8412 64 G 3.5624 8.0075 105.1631 47.5035 0.0000 176.0529 65 V 3.4689 7.8661 120.3006 65.7221 31.6575 177.7822 66 A 2.5800 7.9249 120.6003 54.7922 18.1308 179.4556 67 A 3.8392 7.9431 118.8561 55.2675 18.2102 179.7415 68 A 3.9421 7.7320 118.0733 54.9134 18.5312 178.9272 69 A 4.2718 7.5259 116.8925 52.1793 18.6723 178.0267 70 G 3.6419 7.6768 105.0167 46.0446 0.0000 174.4160 71 A 4.4636 7.6004 124.2302 50.6472 17.7245 178.2536 72 T 4.0779 8.2091 110.9757 63.2826 69.7952 175.2481 73 K 4.4315 7.8073 123.0356 54.7701 33.8419 174.1136 74 L 5.1032 8.5543 126.6179 53.4064 43.5005 176.5529 75 T 4.4990 8.7817 112.8185 62.8152 71.4165 174.0805 76 H 5.4686 7.9808 117.0450 54.3091 33.6956 172.3611 77 I 5.2225 8.6662 120.4879 59.9309 41.9132 173.8248 78 V 4.9469 8.9640 125.9976 60.0341 35.5779 173.6268 79 A 5.2208 8.5615 122.4547 50.2385 22.1237 174.9465 80 I 4.9526 9.0592 122.9869 59.3902 40.1152 175.3508 81 A 4.8773 8.9837 129.8400 50.9951 19.9789 176.5036 82 N 4.4821 8.9184 117.8212 52.4230 39.2784 174.4906 83 E 3.8524 9.3913 114.9945 57.5577 25.7232 175.4506 84 G 3.9874 8.2549 102.9584 46.6670 0.0000 176.3934 85 R 4.0292 8.1240 118.6425 56.4993 30.9188 178.9061 86 G 3.8324 7.5223 104.5954 44.9296 0.0000 172.2890 87 I 4.3510 8.3424 121.8102 61.5685 37.7159 175.6546 88 L 4.7971 8.4275 127.1506 52.7069 43.5128 176.9381 89 S 4.4656 8.7368 119.6681 57.5266 63.6993 172.5437 90 P 4.5910 0.0000 0.0000 62.4454 31.5908 176.6102 91 C 4.5731 8.5158 116.6761 57.6206 31.9790 174.9342 92 G 3.6052 8.5108 107.0179 47.8481 0.0000 175.7646 93 R 3.8427 7.8977 120.5085 59.4518 30.1575 178.1330 94 C 4.1131 8.0757 115.9638 62.9622 28.0619 176.0925 95 R 3.9407 8.1572 119.5800 59.3197 29.6657 178.9169 96 Q 3.9595 8.0400 119.1158 59.1642 29.0816 178.4224 97 V 3.6219 7.9015 119.2209 65.9940 31.6256 177.8232 98 L 4.0300 8.3336 118.8983 57.9690 41.2848 179.5169 99 A 4.0994 8.0918 119.5087 55.3012 18.3873 179.1476 100 D 4.5357 8.2905 116.5888 56.7511 41.0369 178.0206 101 L 4.5479 8.0981 117.7516 55.0341 44.4212 176.6097 102 H 4.9112 8.5704 115.3712 52.8222 29.2426 171.2441 103 P 4.5605 0.0000 0.0000 64.6168 31.7345 177.7684 104 G 3.9269 9.3736 110.2526 45.0027 0.0000 173.4435 105 I 3.8889 7.6275 121.1256 61.2174 39.4605 174.5990 106 K 4.9710 8.9332 128.4995 55.0574 33.8693 175.3934 107 A 5.0140 9.0759 127.7310 51.0089 20.7714 175.9338 108 I 4.6776 8.3522 123.2448 60.5309 38.2098 175.8273 109 V 4.7436 8.7457 119.7703 58.9953 36.3335 175.0753 110 I 4.2067 8.4159 115.5061 61.0807 38.3359 175.4853 111 G 4.3664 8.4574 113.2263 42.7382 0.0000 174.2836 112 K 3.9400 8.9459 123.6219 57.3966 31.7665 179.1111 113 E 4.6660 7.5634 111.8541 55.5433 30.5819 178.7863 114 G 4.0101 8.1720 105.5938 44.3507 0.0000 171.7974 115 P 4.7270 0.0000 0.0000 62.3027 32.6376 175.8908 116 K 4.8670 9.1037 120.9046 55.4379 36.7661 174.7122 117 M 5.0487 9.2323 120.8855 53.7217 34.5660 175.0679 118 V 4.7643 8.6705 124.2125 60.3978 34.6852 174.9321 119 A 4.4780 8.7383 130.7551 52.4107 19.0457 178.7003 120 V 3.7262 8.6409 122.7135 64.7788 31.4380 178.8073 121 E 4.0031 8.2300 118.9818 59.4115 29.0911 178.8220 122 E 4.1248 8.0487 117.4272 58.5820 29.5933 178.3287 123 L 4.4538 7.7262 117.1321 54.6499 43.3014 177.0755 124 L 4.7772 7.3346 118.5006 51.4356 41.8210 174.2259 125 P 4.2325 0.0000 0.0000 63.9434 32.7167 176.5986 126 S 3.6954 8.6786 115.3043 59.4663 60.2149 172.9435 127 I 3.7712 7.4828 118.4401 61.2793 38.8251 173.9428 128 Y 4.3508 8.5661 127.6055 56.3602 39.4204 174.2156 129 A 4.4723 7.7490 130.2444 49.6791 20.5536 175.9647 130 W 4.4898 8.7336 135.0000 58.4242 32.1404 174.9462 131 D 4.7635 8.2664 129.2007 52.7169 37.8115 175.6178 *133 D 4.2834 8.8699 127.7030 55.8379 40.8046 175.5689 *134 Y 3.9935 8.5258 128.5751 60.2715 37.1029 175.1870 135 D 4.5460 8.1839 116.9806 55.4377 40.2230 180.5683 136 R 4.2793 7.7219 121.0181 56.6132 30.2505 175.8941 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 2 A 8.26 4.33 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 3 P 0.00 4.32 0.00 2.04 2.02 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 4 E 8.74 4.58 0.00 2.08 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 2.28 2.26 0.00 5 P 0.00 4.67 0.00 2.12 2.04 0.00 3.85 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 6 L 7.88 4.07 0.00 1.89 1.64 0.92 0.96 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 7 S 8.62 4.59 0.00 4.01 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 8 A 8.59 3.93 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 9 A 8.02 3.99 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 10 G 7.91 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 0.00 0.00 0.00 11 Q 8.36 3.98 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 12 N 8.45 4.27 0.00 2.84 2.93 0.00 0.00 7.23 7.29 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 13 L 7.82 3.97 0.00 1.93 1.71 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.78 3.70 2.02 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 1.53 0.83 0.91 0.00 0.00 15 D 8.35 4.34 0.00 2.83 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 16 T 8.22 3.82 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 1.20 0.00 0.00 17 A 8.19 4.04 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.19 3.81 4.40 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 1.21 0.00 0.00 19 S 7.95 4.11 0.00 3.96 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 20 V 7.90 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 1.00 0.00 0.00 1.00 0.00 0.00 21 I 7.99 3.79 1.90 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 1.62 1.08 1.02 0.00 0.00 22 N 8.38 4.70 0.00 2.85 2.87 0.00 0.00 6.95 7.37 0.00 0.00 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 7.59 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 24 I 6.56 4.68 1.88 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 1.45 0.81 0.96 0.00 0.00 25 P 0.00 4.20 0.00 2.11 2.08 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 26 V 8.34 3.75 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 0.71 0.00 0.00 0.93 0.00 0.00 27 S 8.32 4.74 0.00 3.88 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 28 D 8.75 4.13 0.00 2.56 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 *29 F 7.84 4.24 0.00 2.22 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 0.00 0.00 0.00 0.00 30 Y 7.06 5.78 0.00 2.82 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 31 S 9.44 4.81 0.00 3.86 4.20 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 32 V 7.97 4.88 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 1.02 0.00 0.00 0.97 0.00 0.00 33 A 9.03 5.36 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 34 S 9.07 5.23 0.00 3.88 3.78 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 35 A 8.83 5.33 1.24 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 0.00 0.00 36 A 9.27 5.18 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 37 I 8.49 5.02 1.87 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 1.31 1.85 0.97 0.00 0.00 38 S 8.84 5.27 0.00 4.07 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 39 D 8.83 4.41 0.00 2.84 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 40 D 7.58 4.49 0.00 3.02 2.85 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 41 G 8.17 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 42 R 7.86 4.10 0.00 1.89 1.21 0.00 3.13 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 43 V 7.58 4.63 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 0.77 0.00 0.00 0.84 0.00 0.00 44 F 9.16 5.17 0.00 3.00 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 45 S 8.52 5.25 0.00 3.90 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 46 G 8.23 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 47 V 8.28 5.18 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 1.06 0.00 0.00 0.99 0.00 0.00 48 N 8.88 4.79 0.00 3.02 2.96 0.00 0.00 6.62 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 49 V 8.86 4.49 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 1.05 0.00 0.00 1.07 0.00 0.00 50 Y 8.73 4.31 0.00 3.10 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 51 H 7.99 4.80 0.00 3.13 2.95 0.00 5.73 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.58 4.17 0.00 3.11 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 53 N 7.47 4.30 0.00 2.43 2.64 0.00 0.00 7.10 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 54 G 8.04 3.68 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 0.00 0.00 0.00 55 G 8.14 4.40 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 56 P 0.00 4.57 0.00 2.14 2.18 0.00 3.70 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 2.10 2.00 0.00 57 C 8.73 4.61 0.00 2.92 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 58 A 8.90 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 59 E 8.17 3.95 0.00 2.09 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 2.42 2.49 0.00 60 L 7.87 4.02 0.00 1.81 1.72 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.80 3.59 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 1.01 0.00 0.00 1.01 0.00 0.00 62 V 7.94 3.62 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 1.12 0.00 0.00 1.02 0.00 0.00 63 L 8.05 4.04 0.00 1.91 1.73 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.01 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.47 2.22 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 1.14 0.00 0.00 1.02 0.00 0.00 66 A 7.92 2.58 1.01 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 0.00 0.00 67 A 7.94 3.84 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 68 A 7.73 3.94 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 69 A 7.53 4.27 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 70 G 7.68 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 71 A 7.60 4.46 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 72 T 8.21 4.08 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 1.21 0.00 0.00 73 K 7.81 4.43 0.00 1.82 1.90 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.52 7.81 74 L 8.55 5.10 0.00 1.54 1.55 0.78 1.01 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 75 T 8.78 4.50 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 1.25 0.00 0.00 76 H 7.98 5.47 0.00 3.11 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.67 5.22 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.48 0.93 0.00 0.00 78 V 8.96 4.95 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 0.68 0.00 0.00 0.95 0.00 0.00 79 A 8.56 5.22 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 80 I 9.06 4.95 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 1.18 1.07 0.92 0.00 0.00 81 A 8.98 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.92 4.48 0.00 2.87 3.08 0.00 0.00 7.28 7.37 0.00 0.00 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 E 9.39 3.85 0.00 2.13 2.07 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 2.22 2.29 0.00 84 G 8.25 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 85 R 8.12 4.03 0.00 1.91 2.00 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 86 G 7.52 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 87 I 8.34 4.35 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 1.36 0.59 0.98 0.00 0.00 88 L 8.43 4.80 0.00 1.52 1.58 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.74 4.47 0.00 3.77 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 90 P 0.00 4.59 0.00 2.19 2.08 0.00 3.39 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 91 C 8.52 4.57 0.00 3.18 3.14 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 92 G 8.51 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 0.00 0.00 0.00 93 R 7.90 3.84 0.00 1.85 1.91 0.00 3.13 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 94 C 8.08 4.11 0.00 3.16 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 95 R 8.16 3.94 0.00 2.03 2.01 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 96 Q 8.04 3.96 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 97 V 7.90 3.62 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 1.02 0.00 0.00 0.99 0.00 0.00 98 L 8.33 4.03 0.00 1.95 1.75 0.97 0.62 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 99 A 8.09 4.10 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 0.00 100 D 8.29 4.54 0.00 2.91 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 0.00 101 L 8.10 4.55 0.00 1.81 1.62 1.10 0.93 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 0.00 102 H 8.57 4.91 0.00 3.18 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.56 0.00 2.18 2.09 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 104 G 9.37 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 0.00 0.00 0.00 105 I 7.63 3.89 2.00 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 1.22 1.41 0.99 0.00 0.00 106 K 8.93 4.97 0.00 1.65 1.71 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.44 7.81 107 A 9.08 5.01 1.24 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 0.00 0.00 108 I 8.35 4.68 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.93 0.00 0.00 109 V 8.75 4.74 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 0.80 0.00 0.00 1.00 0.00 0.00 110 I 8.42 4.21 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 1.29 0.53 0.92 0.00 0.00 111 G 8.46 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 3.94 0.00 1.79 1.75 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.02 7.81 113 E 7.56 4.67 0.00 2.02 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 2.15 2.08 0.00 114 G 8.17 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 0.00 0.00 0.00 115 P 0.00 4.73 0.00 2.09 1.99 0.00 3.54 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 116 K 9.10 4.87 0.00 1.88 1.87 0.00 1.27 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.39 7.81 117 M 9.23 5.05 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 118 V 8.67 4.76 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 0.95 0.00 0.00 0.94 0.00 0.00 119 A 8.74 4.48 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 0.00 120 V 8.64 3.73 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 0.87 0.00 0.00 1.00 0.00 0.00 121 E 8.23 4.00 0.00 2.09 2.06 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 2.41 2.48 0.00 122 E 8.05 4.12 0.00 2.11 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 2.35 2.50 0.00 123 L 7.73 4.45 0.00 1.80 1.72 0.94 0.78 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 0.00 124 L 7.33 4.78 0.00 1.64 1.60 0.99 1.04 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 0.00 125 P 0.00 4.23 0.00 2.05 2.01 0.00 3.84 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 2.04 2.13 0.00 126 S 8.68 3.70 0.00 4.00 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 0.00 127 I 7.48 3.77 2.04 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 1.34 0.80 0.92 0.00 0.00 128 Y 8.57 4.35 0.00 2.95 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 0.00 129 A 7.75 4.47 1.13 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 0.00 130 W 8.73 4.49 0.00 3.36 3.09 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 0.00 131 D 8.27 4.76 0.00 2.73 1.57 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 0.00 *133 D 8.87 4.28 0.00 2.65 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 *134 Y 8.53 3.99 0.00 2.37 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 0.00 0.00 0.00 0.00 135 D 8.18 4.55 0.00 2.71 2.62 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 0.00 136 R 7.72 4.28 0.00 1.76 1.83 0.00 3.18 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.