NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4273 8.2893 120.3535 55.6464 33.5374 175.5635 2 T 4.2286 8.4240 116.4012 59.5307 71.6536 172.4268 3 E 3.8665 9.1067 124.1703 59.8220 29.9414 180.4507 4 A 4.0450 7.9744 119.7934 55.2774 18.5669 179.3003 5 E 3.9554 8.0461 117.3079 59.5330 29.4726 178.8534 6 Y 4.1352 8.3583 119.7862 60.9642 38.6867 178.4104 7 L 3.9186 8.0329 118.1201 57.6215 41.7414 179.0843 8 A 4.1479 8.0698 120.2490 54.7875 18.4117 178.7736 9 N 4.5036 8.1095 113.5158 53.8528 39.3440 175.4405 10 Y 3.8115 7.2690 121.7465 57.7109 39.4471 175.0537 11 D 4.4447 7.4657 125.1136 51.8111 43.6800 173.9496 12 P 4.5585 0.0000 0.0000 64.9834 31.9602 178.5330 13 K 4.0038 8.1133 117.3054 58.7632 32.0251 177.6570 14 A 3.8597 7.1677 119.2451 53.3204 18.2361 177.2544 15 F 4.8981 7.6515 114.1669 54.6590 42.5885 174.8835 16 K 3.8898 8.9246 125.4661 56.7757 32.4285 175.7401 17 A 4.7838 8.4274 127.7423 50.5636 21.7574 174.8713 18 Q 4.8373 8.1730 117.9022 53.9997 31.9421 175.5606 19 L 4.5075 8.8452 120.7338 54.7296 43.0764 176.2424 20 L 5.3481 8.7502 124.4901 53.6274 44.6663 175.2710 21 T 4.7826 9.0358 115.5525 60.2487 73.1194 172.7878 22 V 5.0363 8.4673 113.9164 59.8743 35.3503 174.7755 23 D 5.1273 8.9514 120.5779 52.8115 45.6940 174.3329 24 A 4.9408 8.3248 121.5203 50.2405 22.3859 176.0474 25 V 3.9306 8.9990 122.4473 61.2368 33.5513 174.0631 26 L 5.0358 8.0297 128.3692 53.1009 43.8281 175.7597 27 F 5.8050 9.4017 122.7039 56.4506 42.0068 174.6296 28 T 5.1531 8.9425 115.1217 60.6020 71.4316 171.9765 29 Y 4.9549 8.4408 123.3383 56.7510 39.4832 174.9813 30 H 4.5230 8.9474 124.7193 55.1876 32.4010 172.8588 31 D 4.5728 8.9980 127.7105 55.7194 37.4924 175.5436 32 Q 3.7704 8.1621 115.6165 56.4974 28.0359 173.9850 33 Q 4.5344 7.4268 117.3891 54.2400 30.7815 174.8748 34 L 4.1107 8.6772 125.7990 55.3301 43.0515 175.6149 35 K 5.4488 9.5668 126.4767 54.5379 36.2470 175.6677 36 V 5.1851 9.1051 122.0240 59.9125 34.6958 174.3154 37 L 4.1836 8.1429 125.5999 54.4241 42.3372 175.8351 38 L 5.1578 8.9081 125.7039 53.1148 46.0184 176.0034 39 V 5.0028 8.8830 114.6036 59.7644 35.3633 174.3318 40 Q 4.1202 8.6794 125.3273 54.3874 30.5714 174.9887 41 R 4.3714 8.6275 126.7134 55.8330 31.2965 177.0956 42 S 4.6114 8.6280 118.0109 58.0164 63.8494 173.5783 43 N 5.0447 7.8834 116.3422 52.0697 42.0462 173.8731 44 H 4.5079 8.4358 117.5493 54.8050 29.5505 173.4440 45 P 4.3683 0.0000 0.0000 62.6146 31.9988 175.7337 46 F 3.6396 7.7122 114.1409 58.2458 36.2211 175.6557 47 L 4.1288 7.2588 120.8807 55.9859 42.4343 176.0681 48 G 3.9892 8.6847 114.6824 45.2387 0.0000 173.8702 49 L 4.3295 7.3560 119.2545 54.2734 43.2028 176.7792 50 W 4.7578 8.8340 121.2989 57.1703 30.8902 176.1492 51 G 4.5003 8.5372 108.2834 45.9649 0.0000 172.1346 52 L 4.6892 8.9234 119.8604 53.4427 42.8728 175.5167 53 P 4.2498 0.0000 0.0000 63.3490 32.1193 175.1516 54 G 4.1113 8.0231 114.5158 45.3453 0.0000 170.4378 55 G 3.8790 7.0215 107.3730 45.0629 0.0000 171.3572 56 F 4.8950 7.9718 117.9022 55.6448 40.4828 176.2854 57 I 3.9140 8.3722 124.3414 61.6069 37.5370 175.7567 58 D 4.8036 9.3817 124.9577 52.0903 41.0657 176.2845 59 E 4.0994 8.6848 126.1553 58.9007 29.8089 179.0297 60 T 4.0823 8.0529 115.6462 65.7952 68.6620 174.9362 61 C 4.6227 7.8346 112.6476 58.7311 31.7522 173.8863 62 D 4.5207 8.3765 120.8894 54.1884 40.3239 175.8574 63 E 4.1194 9.2586 127.1642 58.6394 30.1141 177.0271 64 S 4.6967 7.5753 111.5192 55.6541 67.2982 174.5537 65 L 3.9640 8.5972 122.0103 58.1550 41.2904 179.2964 66 E 3.5566 8.2272 118.4932 59.2958 29.4831 178.6407 67 Q 3.8479 7.7063 118.0812 59.3751 29.0886 177.8662 68 T 3.9550 7.7452 117.1120 66.9291 68.5891 176.7612 69 V 3.4990 7.7608 120.7439 64.8407 31.3714 178.3565 70 L 3.9052 7.7239 119.7256 57.2489 41.2919 179.5012 71 R 3.9108 8.0736 118.8066 59.1611 29.9869 178.6253 72 K 3.9398 8.3366 118.7466 59.4036 31.8692 179.2974 73 L 3.8760 7.9725 119.0020 57.7802 41.5240 179.5147 74 A 3.9849 8.0665 120.6844 54.9011 18.1602 179.5499 75 E 3.8388 8.4685 117.4759 59.5739 29.3797 179.3372 76 K 4.3109 8.2756 116.8753 57.8690 32.3956 178.7216 77 T 4.1602 7.3865 113.2007 62.1797 71.5019 175.2606 78 A 3.8713 7.8846 120.6962 52.3910 17.1717 176.8121 79 V 4.2216 7.4435 116.0050 61.3800 32.7395 175.2595 80 V 4.2361 8.2157 126.6510 60.1058 31.9627 173.4817 81 P 4.5201 0.0000 0.0000 61.6016 31.9545 175.7511 82 P 4.4396 0.0000 0.0000 65.6174 31.4183 175.2484 83 Y 4.7663 6.6925 115.5985 56.2281 40.8399 173.1744 84 I 4.7203 8.3294 119.7541 59.3370 41.0498 173.6836 85 E 5.0492 9.1209 126.5618 54.2841 32.9425 174.9042 86 Q 3.4774 8.8477 123.5739 56.4992 29.3398 174.4603 87 L 4.5395 8.5871 129.1748 55.5795 42.9678 175.6843 88 C 4.6849 7.2278 110.5759 57.8541 32.7455 171.7357 89 T 4.9517 8.4904 116.4384 61.8591 70.4151 173.7242 90 V 4.2917 8.5846 127.0910 61.0059 33.8860 174.8509 91 G 4.9757 8.4881 114.8568 45.2302 0.0000 170.8777 92 N 3.8829 7.8259 122.9146 51.9056 40.2612 174.3661 93 N 4.2107 8.0867 114.7037 53.0099 36.7093 175.4007 94 S 4.6175 7.6400 113.2897 58.8029 64.9572 176.3643 95 R 4.1021 8.2717 117.3764 58.0057 29.5740 175.9834 96 D 4.9552 7.7308 117.4680 52.0132 43.0308 175.5607 97 A 4.0650 9.0776 130.5744 55.3151 18.4583 178.5502 98 R 4.0037 8.2084 113.6676 57.9737 30.1843 176.5810 99 G 4.3580 7.8370 104.0012 42.1663 0.0000 172.3618 100 W 4.3335 8.6447 129.2305 58.3426 31.4681 174.6694 101 S 5.1754 9.0588 120.7123 56.6983 65.8878 172.4406 102 V 4.9257 9.3025 126.6902 61.3571 34.2893 173.9336 103 T 4.9265 9.0629 122.5531 60.2233 70.8370 172.6608 104 V 4.4030 8.6177 128.7254 61.6081 33.0120 173.8915 105 C 5.0545 9.0162 129.8136 58.6014 33.3704 172.0183 106 Y 5.0964 9.0802 122.5507 56.7189 41.8933 174.2044 107 T 5.1484 9.1740 113.9199 61.2416 71.4749 172.1923 108 A 4.8362 8.7409 127.0226 50.4919 23.1774 174.5534 109 L 5.3525 8.5400 122.3552 53.7757 43.9979 175.4601 110 M 4.9001 8.9105 122.1142 54.3768 35.1929 174.1708 111 S 4.4835 8.5434 115.1211 57.8090 63.8012 173.9795 112 Y 3.5994 8.3348 124.0409 57.9010 39.0276 175.7015 113 Q 4.1921 7.3675 123.9676 53.3890 32.6040 175.0201 114 A 3.9579 8.2883 125.2071 52.3741 19.1033 176.3013 115 C 5.1157 8.4597 115.8981 56.5958 32.4032 173.0656 116 Q 4.7014 8.6867 121.2992 54.2801 31.9583 174.5026 117 I 4.2121 8.3179 119.1565 60.5820 38.5240 175.5249 118 Q 4.6472 8.4555 120.9587 55.4535 31.5912 174.5822 119 I 4.5004 7.4977 118.0644 59.4739 40.9386 175.3755 120 A 4.2222 8.4894 127.8171 54.4124 18.6930 178.9945 121 S 4.3571 8.0218 109.8683 59.9106 63.5085 173.9229 122 V 5.0216 7.2355 112.6031 59.7820 34.8581 175.5412 123 S 4.6860 8.8422 116.1960 58.4715 64.5617 173.0392 124 D 4.8637 7.5890 119.1521 53.5825 44.6963 173.8541 125 V 5.2699 8.2588 120.4756 60.6201 34.4901 173.6572 126 K 4.4821 9.2912 123.2660 55.0752 36.1775 174.5905 127 W 4.9652 8.8365 126.6974 56.3456 29.5830 175.5598 128 W 4.7009 9.2148 126.2135 54.2808 30.4394 174.8375 129 P 4.7855 0.0000 0.0000 62.7545 31.7992 177.0557 130 L 4.0455 9.0452 124.4154 58.3070 42.1154 179.1862 131 A 4.0280 8.1124 120.1364 55.5749 18.4509 179.1649 132 D 4.4309 7.9349 116.8996 57.5016 40.9279 179.3039 133 V 3.5017 7.8483 118.8736 65.8073 31.3115 178.1240 134 L 4.0681 7.5157 116.3533 56.9918 41.6069 177.7924 135 Q 4.5792 7.4981 115.0817 55.6881 29.0631 175.0349 136 M 4.4227 7.4685 117.5477 52.8544 33.6705 174.1802 137 P 4.4291 0.0000 0.0000 62.3444 32.0319 175.6547 138 L 4.8771 8.0270 122.4883 52.0333 44.7661 176.2592 139 A 2.9081 8.0558 123.6349 52.7993 19.7135 178.9447 140 F 3.1129 5.4600 118.7856 58.9467 38.6452 176.5049 141 D 4.9222 8.4511 124.0469 54.7704 39.8959 178.4119 142 H 4.3442 8.2201 119.7111 59.1335 28.4260 177.0919 143 L 3.9482 7.8223 122.4648 58.1207 42.0281 178.6654 144 Q 4.1406 7.9433 117.5576 58.9453 28.6165 178.7869 145 L 3.9428 7.8404 119.4038 57.8339 41.6778 179.2698 146 I 3.6976 7.6278 119.6082 64.5496 37.2036 178.2099 147 E 4.0043 8.4281 119.3071 59.6616 29.2598 179.3992 148 Q 4.0306 8.7056 118.0212 59.1155 28.6346 179.0180 149 A 4.1518 8.4798 122.1040 55.1197 18.1565 179.6965 150 R 3.8152 8.3315 116.8784 59.5325 29.9186 178.2897 151 E 4.1192 8.2156 118.2032 59.3167 29.2059 179.2546 152 R 4.0120 7.7711 117.6921 59.1079 30.1397 178.2896 153 L 4.1939 7.4098 118.5090 57.9782 41.7169 177.1804 154 T 4.0854 7.4417 117.9851 63.8248 68.3696 174.1783 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 8.29 4.43 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 2 T 8.42 4.23 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 1.23 0.00 0.00 3 E 9.11 3.87 0.00 2.09 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 2.40 2.52 0.00 4 A 7.97 4.05 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 5 E 8.05 3.96 0.00 2.04 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 2.36 2.35 0.00 6 Y 8.36 4.14 0.00 3.10 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 7 L 8.03 3.92 0.00 1.87 1.74 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.07 4.15 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 9 N 8.11 4.50 0.00 2.80 2.85 0.00 0.00 6.96 7.03 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 10 Y 7.27 3.81 0.00 2.46 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 11 D 7.47 4.44 0.00 2.56 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 12 P 0.00 4.56 0.00 2.36 2.53 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 13 K 8.11 4.00 0.00 1.82 1.86 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.42 7.81 14 A 7.17 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.65 4.90 0.00 3.13 2.88 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 16 K 8.92 3.89 0.00 1.72 1.76 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.52 7.81 17 A 8.43 4.78 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 18 Q 8.17 4.84 0.00 1.98 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.90 0.00 0.00 0.00 0.00 0.00 2.03 2.40 0.00 19 L 8.85 4.51 0.00 1.75 1.80 1.16 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.75 5.35 0.00 1.68 1.62 0.96 0.93 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 21 T 9.04 4.78 3.91 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 0.00 0.00 0.34 0.00 0.00 22 V 8.47 5.04 2.17 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 0.85 0.00 0.00 0.89 0.00 0.00 23 D 8.95 5.13 0.00 2.44 2.33 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 24 A 8.32 4.94 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 25 V 9.00 3.93 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 0.27 0.00 0.00 0.79 0.00 0.00 26 L 8.03 5.04 0.00 1.52 1.69 0.87 0.97 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 27 F 9.40 5.81 0.00 3.03 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 28 T 8.94 5.15 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 0.30 0.00 0.00 29 Y 8.44 4.95 0.00 2.91 2.87 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 30 H 8.95 4.52 0.00 2.84 2.94 0.00 5.90 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 9.00 4.57 0.00 2.65 2.63 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 32 Q 8.16 3.77 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 33 Q 7.43 4.53 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 34 L 8.68 4.11 0.00 1.68 1.51 0.17 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.57 5.45 0.00 1.82 2.03 0.00 1.69 0.00 0.00 1.98 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.58 7.81 36 V 9.11 5.19 2.37 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 0.85 0.00 0.00 0.75 0.00 0.00 37 L 8.14 4.18 0.00 0.27 1.11 -0.28 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.91 5.16 0.00 1.98 1.94 0.64 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.88 5.00 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 0.66 0.00 0.00 0.99 0.00 0.00 40 Q 8.68 4.12 0.00 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 1.81 1.52 0.00 41 R 8.63 4.37 0.00 1.88 1.84 0.00 3.25 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 42 S 8.63 4.61 0.00 3.80 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 43 N 7.88 5.04 0.00 2.77 2.75 0.00 0.00 7.05 8.16 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 44 H 8.44 4.51 0.00 3.13 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.37 0.00 1.56 1.64 0.00 4.14 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 2.22 2.14 0.00 46 F 7.71 3.64 0.00 2.95 2.91 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 0.00 0.00 0.00 47 L 7.26 4.13 0.00 1.44 1.50 0.56 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.68 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 49 L 7.36 4.33 0.00 1.83 1.61 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.83 4.76 0.00 3.12 3.06 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 51 G 8.54 4.50 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 52 L 8.92 4.69 0.00 1.28 1.61 0.70 0.89 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 53 P 0.00 4.25 0.00 2.03 2.14 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 54 G 8.02 4.11 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 G 7.02 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 0.00 0.00 0.00 56 F 7.97 4.90 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.37 3.91 1.95 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 1.34 0.52 0.95 0.00 0.00 58 D 9.38 4.80 0.00 2.62 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 59 E 8.68 4.10 0.00 2.01 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 0.00 2.34 2.37 0.00 60 T 8.05 4.08 4.67 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 1.21 0.00 0.00 61 C 7.83 4.62 0.00 3.02 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 62 D 8.38 4.52 0.00 2.74 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 63 E 9.26 4.12 0.00 1.93 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 0.00 2.33 2.25 0.00 64 S 7.58 4.70 0.00 4.05 3.91 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 0.00 0.00 0.00 65 L 8.60 3.96 0.00 1.83 1.95 1.00 0.79 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 66 E 8.23 3.56 0.00 2.02 1.93 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 2.32 2.28 0.00 67 Q 7.71 3.85 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.49 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 68 T 7.75 3.96 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 1.25 0.00 0.00 69 V 7.76 3.50 1.67 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 0.21 0.00 0.00 0.77 0.00 0.00 70 L 7.72 3.91 0.00 1.65 1.69 0.89 0.75 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 71 R 8.07 3.91 0.00 1.90 2.09 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 72 K 8.34 3.94 0.00 1.71 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.59 7.81 73 L 7.97 3.88 0.00 1.85 1.81 0.85 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.07 3.98 1.29 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 0.00 0.00 0.00 75 E 8.47 3.84 0.00 2.17 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 2.32 2.46 0.00 76 K 8.28 4.31 0.00 1.75 1.81 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.59 7.81 77 T 7.39 4.16 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 1.18 0.00 0.00 78 A 7.88 3.87 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 V 7.44 4.22 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 0.90 0.00 0.00 0.97 0.00 0.00 80 V 8.22 4.24 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 0.87 0.00 0.00 0.91 0.00 0.00 81 P 0.00 4.52 0.00 2.29 2.07 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.85 0.00 82 P 0.00 4.44 0.00 2.40 2.31 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 83 Y 6.69 4.77 0.00 3.27 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 84 I 8.33 4.72 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.81 0.00 0.00 85 E 9.12 5.05 0.00 2.20 2.25 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 2.61 2.35 0.00 86 Q 8.85 3.48 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.91 0.00 0.00 0.00 0.00 0.00 1.97 1.42 0.00 87 L 8.59 4.54 0.00 1.59 1.63 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 C 7.23 4.68 0.00 2.94 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 89 T 8.49 4.95 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 1.27 0.00 0.00 90 V 8.58 4.29 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 0.99 0.00 0.00 0.89 0.00 0.00 91 G 8.49 4.98 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 92 N 7.83 3.88 0.00 2.47 2.65 0.00 0.00 5.90 6.96 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 93 N 8.09 4.21 0.00 2.70 2.44 0.00 0.00 5.78 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 94 S 7.64 4.62 0.00 3.97 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 95 R 8.27 4.10 0.00 2.03 2.06 0.00 2.92 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 96 D 7.73 4.96 0.00 2.79 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 97 A 9.08 4.06 1.31 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 98 R 8.21 4.00 0.00 2.14 2.13 0.00 3.34 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 99 G 7.84 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 0.00 0.00 0.00 0.00 100 W 8.64 4.33 0.00 3.46 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 0.00 101 S 9.06 5.18 0.00 4.03 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 0.00 102 V 9.30 4.93 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 1.04 0.00 0.00 1.22 0.00 0.00 103 T 9.06 4.93 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 1.15 0.00 0.00 104 V 8.62 4.40 2.17 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 0.73 0.00 0.00 0.94 0.00 0.00 105 C 9.02 5.05 0.00 2.91 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 0.00 106 Y 9.08 5.10 0.00 2.80 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 0.00 107 T 9.17 5.15 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 1.36 0.00 0.00 108 A 8.74 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.54 5.35 0.00 1.87 1.80 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 M 8.91 4.90 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.79 0.00 111 S 8.54 4.48 0.00 3.91 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 0.00 112 Y 8.33 3.60 0.00 2.59 2.74 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 0.00 113 Q 7.37 4.19 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 114 A 8.29 3.96 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 0.00 115 C 8.46 5.12 0.00 2.95 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 0.00 116 Q 8.69 4.70 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 117 I 8.32 4.21 1.85 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 1.36 1.42 0.90 0.00 0.00 118 Q 8.46 4.65 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 119 I 7.50 4.50 1.86 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 1.35 1.25 0.93 0.00 0.00 120 A 8.49 4.22 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 0.00 121 S 8.02 4.36 0.00 4.04 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 0.00 122 V 7.24 5.02 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 0.70 0.00 0.00 0.98 0.00 0.00 123 S 8.84 4.69 0.00 3.74 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 0.00 124 D 7.59 4.86 0.00 2.56 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 0.00 0.00 0.00 0.00 125 V 8.26 5.27 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 0.71 0.00 0.00 0.88 0.00 0.00 126 K 9.29 4.48 0.00 1.70 1.16 0.00 1.13 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.09 7.81 127 W 8.84 4.97 0.00 3.24 3.23 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 0.00 128 W 9.21 4.70 0.00 3.21 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 0.00 129 P 0.00 4.79 0.00 2.40 2.05 0.00 3.97 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 2.27 2.13 0.00 130 L 9.05 4.05 0.00 1.83 1.70 1.11 0.90 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 0.00 131 A 8.11 4.03 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 0.00 132 D 7.93 4.43 0.00 2.92 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 0.00 133 V 7.85 3.50 2.25 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 0.99 0.00 0.00 0.89 0.00 0.00 134 L 7.52 4.07 0.00 1.74 1.72 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.50 4.58 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 136 M 7.47 4.42 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 137 P 0.00 4.43 0.00 2.18 2.06 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 138 L 8.03 4.88 0.00 1.54 1.54 0.92 0.83 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 0.00 139 A 8.06 2.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 5.46 3.11 0.00 2.84 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 0.00 141 D 8.45 4.92 0.00 2.88 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 0.00 142 H 8.22 4.34 0.00 3.26 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.82 3.95 0.00 1.72 1.63 0.91 0.94 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 0.00 144 Q 7.94 4.14 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 145 L 7.84 3.94 0.00 1.62 1.65 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.63 3.70 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 1.03 0.00 0.00 147 E 8.43 4.00 0.00 2.18 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 0.00 2.35 2.38 0.00 148 Q 8.71 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 149 A 8.48 4.15 1.44 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 0.00 0.00 150 R 8.33 3.82 0.00 2.02 2.18 0.00 3.25 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 151 E 8.22 4.12 0.00 2.27 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 2.33 0.00 152 R 7.77 4.01 0.00 1.82 2.28 0.00 3.37 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 153 L 7.41 4.19 0.00 1.80 1.67 0.17 0.91 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 0.00 154 T 7.44 4.09 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 1.21 0.00 0.00