NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.4889 8.4401 117.8604 55.5691 29.9302 176.0748 *2 A 4.1689 8.8838 127.3312 52.6462 19.4709 178.1168 3 K 4.1137 8.9080 121.9911 59.1741 32.3971 177.2618 4 H 5.0317 7.7211 113.0434 54.0326 32.7961 172.3996 5 E 4.4613 8.4961 119.3509 54.5947 31.1361 175.8379 6 Q 3.9322 8.5024 120.4286 56.8049 29.3028 176.0718 7 I 4.0756 8.1582 124.8164 62.8723 38.7881 175.9685 8 L 4.3934 7.8521 119.4204 54.6123 42.4149 176.8348 9 V 4.3026 8.7692 122.6648 61.3655 33.3502 174.4224 10 L 5.1514 8.4686 127.3586 53.1390 44.3178 175.7243 11 D 4.6590 8.8197 122.1656 51.7943 43.9967 173.1002 12 P 4.6305 0.0000 0.0000 61.9309 32.0840 174.9566 13 P 4.4969 0.0000 0.0000 65.2375 32.0107 177.2440 14 S 4.6038 8.0408 111.7955 58.6625 66.8541 173.8661 15 D 5.2987 8.1104 117.4433 52.3118 44.1126 175.5683 16 L 4.4307 8.9788 123.4867 53.1787 43.4474 175.4590 17 K 5.0185 8.3551 123.8503 54.8561 33.9765 176.0507 18 F 4.8723 9.6356 123.8788 55.6372 41.7035 174.1592 19 K 4.7912 8.8747 125.8241 55.0379 33.2907 176.8050 20 G 2.6395 8.5113 117.4639 43.2700 0.0000 171.1740 21 P 4.0041 0.0000 0.0000 62.7506 31.8983 175.9467 22 F 4.7144 7.8327 116.3000 57.4867 39.4272 178.2092 23 T 3.9476 7.7670 112.5388 63.5431 69.1446 172.8304 24 D 4.9395 7.4560 119.7639 51.6937 45.1919 174.8473 25 V 3.9576 8.4398 120.4890 63.1788 32.0114 175.0186 26 V 4.5238 8.5042 127.8626 61.5107 33.2114 174.7002 27 T 5.2096 8.7126 123.9664 62.2012 71.3098 173.5117 28 T 4.5941 8.8326 118.6121 60.4835 71.0510 172.4709 29 N 5.3298 8.6210 124.1157 51.9186 41.1882 174.3151 30 L 4.6937 8.6625 122.6938 53.4610 45.3875 175.1787 31 K 4.8886 9.1849 126.9380 55.1245 34.2290 175.6759 32 L 5.0920 8.9032 124.9386 52.9093 44.4208 175.1488 33 Q 4.9382 9.0653 125.4896 54.1921 32.3653 173.7899 34 N 5.2091 8.9766 125.4360 51.4746 39.9396 173.0378 35 P 4.5008 0.0000 0.0000 63.2181 32.1424 176.5087 36 S 4.5622 8.0218 114.6686 58.1561 64.3251 173.4982 37 D 4.8623 8.5134 117.0977 54.0869 40.7191 176.4244 38 R 4.8617 7.6049 117.5630 54.0191 33.4616 175.8198 39 K 4.4536 8.5868 120.6279 56.4730 33.8356 176.1274 40 V 4.6753 8.5760 123.5260 61.3804 34.5941 174.1560 41 C 5.2658 8.9986 126.0755 58.7756 30.3413 172.6927 42 F 5.9226 9.0586 116.4045 55.5553 41.7258 173.5592 43 K 4.9533 9.3759 118.3483 54.9048 36.5138 175.2934 44 V 4.6876 9.0281 124.9023 61.2592 32.6984 174.9257 45 K 4.7111 8.4980 125.4096 55.0909 36.6086 175.0471 46 T 4.2066 7.7977 116.6982 62.2863 72.2782 174.3630 47 T 4.1623 7.9777 111.7970 62.5154 69.9416 175.5880 48 A 4.6624 7.2185 124.7989 50.0052 19.4528 174.5335 49 P 4.2718 0.0000 0.0000 64.9929 32.1113 179.3637 50 R 3.9203 7.9207 116.5874 58.4814 30.3908 176.9032 51 R 4.2297 8.0361 115.5031 56.4803 30.7643 175.1619 52 Y 5.1951 7.5549 114.8326 56.1925 42.0055 174.3166 53 C 4.9852 9.0140 121.6799 57.6310 34.3813 173.0666 54 V 4.8942 8.6216 125.2214 61.2968 34.0904 174.8905 55 R 4.8112 8.9374 126.3497 54.2368 34.2743 172.9026 56 P 4.9731 0.0000 0.0000 62.6017 32.7431 175.8636 57 N 5.0494 8.7546 117.5658 53.2347 38.6587 174.0482 58 S 4.3388 6.9329 112.1490 57.3759 65.7188 175.1323 59 G 3.8034 5.7257 105.8349 46.4296 0.0000 171.0947 60 V 5.0732 8.1728 118.5333 59.8877 34.3274 175.0893 61 I 4.6031 8.9601 125.0103 59.5249 39.5382 175.3043 62 D 4.8743 8.7394 126.7190 53.0549 42.4696 174.1988 63 P 4.4238 0.0000 0.0000 64.4688 31.5691 177.4859 64 G 3.9244 9.1614 111.3210 45.7346 0.0000 173.5850 65 S 4.6748 7.9140 116.3953 57.7760 64.9213 172.8415 66 I 5.0666 8.0493 120.0336 59.4866 41.1345 174.3020 67 V 4.5310 8.8723 127.4965 61.4307 35.1638 173.9993 68 T 4.8636 8.5368 123.2411 62.0339 70.1751 173.8883 69 V 4.4396 8.7789 127.3890 61.3855 33.7976 174.5261 70 S 4.8127 9.2266 125.1234 57.7322 64.5117 173.9148 71 V 4.6223 8.4650 124.4838 60.8351 35.2421 173.5742 *73 L 4.2529 8.1344 122.4823 54.7262 42.9529 176.0533 74 Q 4.5924 8.8321 126.1359 54.8460 29.4485 174.5184 75 P 4.7359 0.0000 0.0000 63.6633 31.9332 175.2270 76 F 4.9027 8.1866 114.7356 56.3507 41.0823 173.0393 77 D 4.6781 8.7482 120.5183 52.8850 41.7252 176.1333 78 Y 4.4179 8.7304 125.5962 58.0368 39.3157 174.7508 79 D 4.4896 8.2184 125.9349 51.3594 42.5873 174.2432 80 P 3.9420 0.0000 0.0000 64.9230 31.2188 176.7652 81 N 4.5824 8.1049 115.1097 53.3426 38.9992 174.4550 82 E 4.4737 7.8840 120.1899 54.8994 30.9911 176.2105 83 K 4.5425 8.1068 123.5524 54.6032 32.3821 174.6204 84 S 4.4011 7.8328 116.0201 57.5995 64.5342 175.3542 85 K 4.4905 8.0109 123.4262 54.9894 32.5077 175.7201 86 H 4.6189 7.4922 117.9817 55.8902 30.7734 175.9556 87 K 5.1838 8.9663 119.8425 55.1051 36.6295 175.8159 88 F 5.2740 8.8693 121.7177 54.7946 43.1455 174.0194 *90 V 4.2457 8.1941 119.3447 63.8230 32.7364 174.8418 91 Q 5.2076 9.0967 130.7464 54.8569 30.4692 174.4776 92 T 5.5119 8.4245 114.9744 60.4406 73.1518 172.1666 93 I 4.3592 8.0847 120.5105 59.6178 41.8135 173.6344 94 F 4.7361 8.6392 127.3037 57.3203 39.6839 174.7798 95 A 4.2644 8.7733 126.0347 50.5173 19.2625 175.8794 96 P 4.3072 0.0000 0.0000 61.8373 32.0324 175.9687 97 P 4.3299 0.0000 0.0000 65.1485 31.3200 176.7953 98 N 4.8816 7.9637 114.5035 52.7659 38.9964 174.0656 99 I 4.0864 7.3473 118.7899 60.5143 38.6250 176.0850 100 S 4.6032 8.5042 120.4450 59.5778 64.9756 174.0390 101 D 4.1381 7.3159 124.1515 53.2288 43.2334 177.1592 *103 E 4.3639 8.9224 114.6681 55.9692 31.3711 177.5503 104 A 4.0960 8.7499 120.7543 54.7781 18.0159 179.7501 105 V 3.3946 7.1220 115.6376 66.1384 31.7402 178.0038 106 W 4.3566 8.0573 118.0099 59.2096 28.8491 178.4590 107 K 3.9936 8.1911 119.5183 59.2540 31.7027 177.2490 108 E 4.3580 8.0157 114.9234 56.0663 29.8676 176.4312 109 A 4.2899 7.4522 123.0056 52.1558 19.1349 177.2219 110 K 4.6631 8.6870 120.5656 53.8034 34.8318 175.8722 111 P 4.2483 0.0000 0.0000 65.9943 31.4417 178.0726 112 D 4.6071 8.0931 115.3727 54.8567 39.4994 176.9192 113 E 4.4016 8.1247 119.0102 56.7877 30.3457 176.3094 114 L 4.7597 7.1798 117.9806 53.1790 43.8319 175.4258 *116 D 4.7832 8.2594 117.6367 55.2443 42.0241 175.5853 117 S 4.7649 8.7384 116.6870 56.8167 66.5388 173.6476 118 K 4.9959 8.8011 122.6899 54.6393 34.9117 175.4678 119 L 5.0532 8.9905 122.8272 53.0063 45.8321 175.4102 120 R 4.7504 8.8132 123.1511 55.3881 31.9800 174.6981 121 C 5.1637 8.6742 124.2032 58.8207 29.5108 173.1645 122 V 4.3521 9.1566 124.1625 61.0800 33.9784 174.0486 123 F 5.7686 8.8645 126.7029 56.4031 40.3589 175.6407 124 E 4.5094 9.5738 123.4673 56.4135 29.7407 176.2356 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 H 8.44 4.49 0.00 3.12 2.67 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 A 8.88 4.17 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 3 K 8.91 4.11 0.00 1.73 1.62 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.50 7.81 4 H 7.72 5.03 0.00 3.24 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.50 4.46 0.00 2.10 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 0.00 2.29 2.33 0.00 6 Q 8.50 3.93 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 7 I 8.16 4.08 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.50 0.00 0.00 8 L 7.85 4.39 0.00 1.64 1.52 0.87 0.93 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 9 V 8.77 4.30 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 1.04 0.00 0.00 0.92 0.00 0.00 10 L 8.47 5.15 0.00 1.50 1.68 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.82 4.66 0.00 2.67 2.43 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 12 P 0.00 4.63 0.00 2.27 1.98 0.00 3.81 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 1.90 1.88 0.00 13 P 0.00 4.50 0.00 2.19 2.28 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 1.97 1.97 0.00 14 S 8.04 4.60 0.00 3.73 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 15 D 8.11 5.30 0.00 2.50 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 16 L 8.98 4.43 0.00 1.56 1.29 0.43 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.36 5.02 0.00 1.58 1.77 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 18 F 9.64 4.87 0.00 3.34 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 0.00 19 K 8.87 4.79 0.00 1.77 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.40 7.81 20 G 8.51 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 0.00 0.00 0.00 21 P 0.00 4.00 0.00 2.00 1.89 0.00 3.54 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 22 F 7.83 4.71 0.00 2.26 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 0.00 0.00 0.00 0.00 23 T 7.77 3.95 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 1.13 0.00 0.00 24 D 7.46 4.94 0.00 2.60 2.52 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 25 V 8.44 3.96 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 0.91 0.00 0.00 0.96 0.00 0.00 26 V 8.50 4.52 2.40 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 1.12 0.00 0.00 1.04 0.00 0.00 27 T 8.71 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 1.32 0.00 0.00 28 T 8.83 4.59 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 0.58 0.00 0.00 29 N 8.62 5.33 0.00 2.59 2.67 0.00 0.00 6.66 7.85 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 30 L 8.66 4.69 0.00 1.59 1.40 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.18 4.89 0.00 1.65 1.65 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.36 7.81 32 L 8.90 5.09 0.00 1.24 1.32 0.22 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.07 4.94 0.00 2.01 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 34 N 8.98 5.21 0.00 2.87 2.83 0.00 0.00 6.76 7.28 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 35 P 0.00 4.50 0.00 2.23 2.28 0.00 3.88 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 36 S 8.02 4.56 0.00 4.15 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 37 D 8.51 4.86 0.00 2.67 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 38 R 7.60 4.86 0.00 1.92 1.92 0.00 2.86 0.00 0.00 2.56 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 39 K 8.59 4.45 0.00 1.75 1.75 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 V 8.58 4.68 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 0.77 0.00 0.00 0.78 0.00 0.00 41 C 9.00 5.27 0.00 2.56 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 42 F 9.06 5.92 0.00 3.16 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 43 K 9.38 4.95 0.00 1.36 1.40 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.44 7.81 44 V 9.03 4.69 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 1.00 0.00 0.00 1.15 0.00 0.00 45 K 8.50 4.71 0.00 1.60 1.51 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.35 7.81 46 T 7.80 4.21 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 0.66 0.00 0.00 47 T 7.98 4.16 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 1.16 0.00 0.00 48 A 7.22 4.66 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 49 P 0.00 4.27 0.00 2.16 2.10 0.00 3.56 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 50 R 7.92 3.92 0.00 1.74 1.92 0.00 3.19 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 51 R 8.04 4.23 0.00 1.57 1.41 0.00 3.00 0.00 0.00 3.05 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 52 Y 7.55 5.20 0.00 2.92 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 53 C 9.01 4.99 0.00 3.01 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 V 8.62 4.89 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 1.11 0.00 0.00 1.31 0.00 0.00 55 R 8.94 4.81 0.00 1.79 1.81 0.00 3.38 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 56 P 0.00 4.97 0.00 2.40 2.14 0.00 3.96 0.00 0.00 3.79 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 57 N 8.75 5.05 0.00 2.89 3.30 0.00 0.00 5.61 7.64 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 58 S 6.93 4.34 0.00 3.61 3.60 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 G 5.73 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 60 V 8.17 5.07 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 0.82 0.00 0.00 0.97 0.00 0.00 61 I 8.96 4.60 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.94 0.00 0.00 62 D 8.74 4.87 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 63 P 0.00 4.42 0.00 2.06 2.20 0.00 3.77 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 2.25 0.00 64 G 9.16 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 65 S 7.91 4.67 0.00 3.95 3.82 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 66 I 8.05 5.07 1.86 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 1.20 0.94 0.91 0.00 0.00 67 V 8.87 4.53 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.00 0.00 0.00 68 T 8.54 4.86 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 1.20 0.00 0.00 69 V 8.78 4.44 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 1.15 0.00 0.00 0.84 0.00 0.00 70 S 9.23 4.81 0.00 3.83 3.82 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 71 V 8.46 4.62 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 0.77 0.00 0.00 0.75 0.00 0.00 *73 L 8.13 4.25 0.00 1.28 1.71 0.10 -0.25 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 74 Q 8.83 4.59 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 75 P 0.00 4.74 0.00 2.07 2.02 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 76 F 8.19 4.90 0.00 2.99 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 77 D 8.75 4.68 0.00 2.75 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 78 Y 8.73 4.42 0.00 2.92 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 79 D 8.22 4.49 0.00 2.67 2.40 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 80 P 0.00 3.94 0.00 2.16 2.10 0.00 3.55 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 81 N 8.10 4.58 0.00 2.98 2.85 0.00 0.00 6.85 7.04 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 82 E 7.88 4.47 0.00 2.02 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 2.21 2.21 0.00 83 K 8.11 4.54 0.00 1.70 1.67 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.39 7.81 84 S 7.83 4.40 0.00 3.58 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 85 K 8.01 4.49 0.00 1.64 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.36 7.81 86 H 7.49 4.62 0.00 3.17 3.31 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.97 5.18 0.00 1.63 1.66 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 88 F 8.87 5.27 0.00 2.88 2.98 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 *90 V 8.19 4.25 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 0.97 0.00 0.00 0.97 0.00 0.00 91 Q 9.10 5.21 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.42 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 92 T 8.42 5.51 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 1.35 0.00 0.00 93 I 8.08 4.36 1.40 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.38 -0.35 0.00 0.00 94 F 8.64 4.74 0.00 2.93 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 95 A 8.77 4.26 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 96 P 0.00 4.31 0.00 2.17 1.97 0.00 3.56 0.00 0.00 3.91 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 97 P 0.00 4.33 0.00 2.16 2.17 0.00 3.70 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 1.97 1.96 0.00 98 N 7.96 4.88 0.00 2.70 2.83 0.00 0.00 6.87 7.45 0.00 0.00 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 I 7.35 4.09 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 1.48 0.75 0.94 0.00 0.00 100 S 8.50 4.60 0.00 4.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.32 4.14 0.00 2.89 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 *103 E 8.92 4.36 0.00 2.09 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 2.33 2.36 0.00 104 A 8.75 4.10 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 0.00 105 V 7.12 3.39 1.82 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 0.36 0.00 0.00 0.90 0.00 0.00 106 W 8.06 4.36 0.00 3.42 3.21 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 0.00 107 K 8.19 3.99 0.00 1.86 1.89 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.49 7.81 108 E 8.02 4.36 0.00 2.01 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 2.44 2.39 0.00 109 A 7.45 4.29 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 0.00 110 K 8.69 4.66 0.00 1.82 1.69 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.37 7.81 111 P 0.00 4.25 0.00 2.15 2.13 0.00 3.57 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 2.10 2.11 0.00 112 D 8.09 4.61 0.00 2.91 2.93 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 0.00 113 E 8.12 4.40 0.00 2.10 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 0.00 2.30 2.27 0.00 114 L 7.18 4.76 0.00 1.82 1.74 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 *116 D 8.26 4.78 0.00 2.62 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 0.00 117 S 8.74 4.76 0.00 3.73 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 0.00 118 K 8.80 5.00 0.00 1.62 1.71 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.38 7.81 119 L 8.99 5.05 0.00 1.56 1.51 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.81 4.75 0.00 1.90 2.02 0.00 3.06 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 121 C 8.67 5.16 0.00 3.07 3.08 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 0.00 122 V 9.16 4.35 2.19 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 1.14 0.00 0.00 0.96 0.00 0.00 123 F 8.86 5.77 0.00 2.95 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 0.00 124 E 9.57 4.51 0.00 2.04 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 2.34 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.