NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9920 8.3549 109.7428 45.9832 0.0000 173.4241 5 S 4.5590 8.5281 113.7446 58.8660 64.1201 174.3592 6 R 3.8467 8.3899 120.7532 59.2263 30.6779 177.7708 7 R 3.7159 7.9715 116.6005 58.5471 30.0064 176.2740 8 Y 4.5223 7.9265 112.9562 57.3777 38.4969 174.8716 9 D 4.5778 7.7782 120.7370 53.7259 41.0070 176.5493 10 S 4.1814 8.7353 123.2302 59.3820 63.7525 174.2556 11 R 3.8124 8.5045 119.8372 56.9243 27.5213 177.6271 12 T 4.0423 7.9261 106.6767 63.9676 69.2017 174.7531 13 T 4.5300 7.4559 113.1521 61.3834 69.0605 173.6362 14 I 4.3790 7.6464 113.6385 60.0222 40.5158 174.5476 15 F 4.8314 8.3561 119.3805 56.6328 39.9539 175.9961 16 S 4.8975 8.4314 117.6720 55.6094 64.2728 173.5736 17 P 3.8062 0.0000 0.0000 65.5033 31.0705 177.2081 18 E 4.2320 8.1245 115.1891 55.9037 29.6632 176.1342 19 G 3.4941 8.9052 108.0081 46.7197 0.0000 173.9354 20 R 4.6061 7.9916 117.4664 54.1276 32.8375 175.8762 21 L 4.7917 7.7389 120.1800 54.0706 41.7404 177.6179 22 Y 3.4480 7.0583 117.7427 60.4103 38.2409 177.8810 23 Q 4.0004 8.0195 118.5266 59.2692 29.1573 179.4180 24 V 3.5663 7.6469 118.5677 65.9647 31.5749 177.5895 25 E 3.9523 8.2294 118.4124 59.8240 29.3440 178.8782 26 Y 4.4325 8.2762 116.5900 61.1937 37.9627 178.6325 27 A 4.0623 8.7079 121.9619 55.3706 18.4975 179.6409 28 L 3.9353 8.0972 117.3188 57.8943 41.4583 179.1693 29 E 3.9230 8.1310 118.3244 59.4547 29.7982 178.6109 30 S 4.3141 8.2145 112.9315 61.6566 62.4778 176.2778 31 I 3.7783 7.7511 122.5518 64.1138 36.5535 178.2672 32 S 4.1767 7.8803 114.0218 60.5551 62.7718 174.5314 33 H 4.7100 7.8187 117.9153 55.4229 29.0814 174.5563 34 A 4.4599 7.8463 123.3543 50.5074 19.7362 177.5190 35 G 4.2346 8.4831 106.8583 46.1969 0.0000 173.4384 36 T 4.3412 8.6191 119.7339 63.2275 69.9079 173.2209 37 A 5.1714 8.5291 126.5422 50.1871 21.8428 175.3212 38 I 4.6018 9.6745 123.5868 59.3001 41.2616 174.8661 39 G 4.4078 8.7214 112.1434 44.5136 0.0000 171.8379 40 I 4.7293 8.7849 125.7678 59.5534 40.9380 174.1584 41 M 4.9122 8.8117 125.9001 53.9394 33.8516 174.9397 42 A 4.7238 8.8426 129.8339 49.9678 21.5437 177.4126 43 S 4.1627 8.7253 114.2489 61.0291 62.7841 175.2890 44 D 4.8190 8.6187 117.5237 51.0277 39.4813 175.7274 45 G 4.0614 6.4539 109.5802 46.2980 0.0000 171.4675 46 I 5.0929 7.7596 118.9700 59.3139 40.9820 175.5704 47 V 4.5174 9.0109 123.6375 61.1256 34.8955 174.2481 48 L 5.3077 8.6292 125.9598 52.9511 44.4191 175.6780 49 A 4.8397 9.2304 125.3420 50.1334 22.3577 174.5480 50 A 4.8876 8.5101 121.9243 50.3376 23.0687 174.6604 51 E 4.5159 9.0120 120.9124 54.1794 31.7014 175.6248 52 R 4.1096 8.5790 126.6298 55.9916 30.3930 176.2838 53 K 3.9772 8.7294 124.8961 56.8712 32.9851 175.3399 54 V 3.0624 8.5505 123.6621 63.7646 30.5345 171.9750 55 T 4.7431 8.0799 114.4724 60.2777 72.2914 172.2224 56 S 4.6410 7.9843 114.6712 57.0329 65.6932 174.8551 57 T 4.0243 8.4554 119.6436 66.6038 68.2678 176.3741 58 L 4.0836 7.7913 119.8089 56.7736 42.0359 177.1981 59 L 3.7594 7.1570 119.3341 55.3574 41.1534 176.5991 60 E 4.1554 8.6590 126.9231 55.8009 28.6809 176.4474 61 Q 4.1899 8.4565 128.3391 58.6075 29.7736 177.9822 62 D 4.3497 8.1783 117.0538 57.6381 40.8734 177.2374 63 T 4.2326 7.2488 109.5153 63.8786 68.7129 174.5449 63A S 4.6630 7.2970 116.0694 57.4490 63.8793 173.8753 64 T 4.2072 7.8497 119.4961 63.1787 71.2626 173.2049 65 E 4.8031 8.6250 122.3909 55.5172 31.4361 176.0804 66 K 4.4878 7.6130 116.1765 56.7873 36.7783 175.6559 67 L 5.0350 7.6016 119.4976 53.2445 43.0876 175.8385 68 Y 4.8345 9.0662 122.2580 55.8643 41.5173 175.0477 69 K 4.5533 8.8554 124.7304 55.7544 33.2947 175.8409 70 L 4.4834 8.6760 125.7546 55.9811 43.2155 175.2117 71 N 5.0477 7.9121 115.7951 52.7625 41.0307 172.6599 72 D 4.7278 8.7930 113.7408 55.2179 42.1110 177.0406 73 K 4.7661 7.9726 116.4861 55.8439 34.3372 175.4409 74 I 5.2067 7.5814 120.2216 59.9828 41.7172 173.8426 75 A 5.1216 9.0268 125.9471 51.0445 23.2449 175.3579 76 V 5.0298 9.1185 111.6691 59.5392 36.5068 174.6061 77 A 5.2545 8.6636 124.1575 50.4070 21.4142 175.8587 78 V 4.6026 8.8577 122.2582 61.4724 34.2614 175.7470 79 A 4.1838 8.1182 126.3527 53.8295 21.3470 173.9433 80 G 3.6924 8.6232 113.3630 45.1437 0.0000 173.2420 81 L 4.1200 8.8391 126.7093 54.8163 41.7371 177.7592 82 T 3.8695 8.8778 121.4357 66.6671 68.4510 175.8748 83 A 4.0137 8.1330 121.9630 55.5874 18.1593 179.1261 84 D 4.4123 8.1773 116.1168 57.5259 41.0104 178.4902 85 A 4.0911 8.3322 121.5373 55.5282 18.3552 179.1201 86 E 3.5977 8.3461 116.9193 59.9162 29.3698 179.5780 87 I 3.7089 7.5433 118.8654 64.9029 37.2618 178.3532 88 L 3.9551 7.6720 119.1248 57.5498 41.4079 179.4917 89 I 3.5284 8.0881 120.2369 64.1984 37.0035 177.9832 90 N 4.2621 8.5753 118.5192 56.9409 38.7772 177.1238 91 T 3.9174 7.5933 109.4971 64.4191 68.7465 176.4868 92 A 3.9146 7.9228 123.8320 55.2057 18.3277 179.6582 93 R 3.8980 8.2599 117.0033 59.4523 30.0324 179.4393 94 I 3.7062 7.8731 119.3865 64.6852 37.2156 177.5753 95 H 4.1114 8.4051 119.0382 59.5120 29.5332 176.5888 96 A 3.9352 8.0124 122.0518 55.4116 18.2345 179.4798 97 Q 3.9623 7.8022 116.3333 59.3095 28.7753 178.8952 98 N 4.2856 8.3511 117.4177 56.6449 38.5743 176.5919 99 Y 4.0554 8.1395 120.6826 60.7150 38.7391 178.1378 100 L 4.5612 8.0005 122.4252 57.7480 42.0566 178.8885 101 K 3.8228 8.3656 118.5714 59.5916 32.1145 178.6003 102 T 3.8314 7.9393 115.7189 65.8692 68.6285 175.7652 103 Y 4.4349 7.5376 115.1172 56.5216 38.9530 175.3900 104 N 4.3766 8.8096 116.6537 53.8370 37.1047 173.8294 105 E 4.8273 7.7894 114.4265 54.6071 33.8660 174.6564 106 D 4.7439 8.6663 121.9906 53.7963 41.4484 176.3247 107 I 2.4431 8.5262 123.8778 60.4178 38.4755 173.5811 108 P 4.0976 0.0000 0.0000 62.3657 31.8652 176.6280 109 V 3.3660 8.1091 122.9776 66.6669 31.2381 177.8426 110 E 3.7720 8.0651 117.8978 59.4961 29.4411 178.9289 111 I 3.5941 7.4789 119.4921 64.1050 37.0872 178.1773 112 L 3.9220 7.5609 120.6620 58.1556 42.0402 178.9467 113 V 2.9373 7.3907 118.1950 65.7499 31.2753 178.0035 114 R 3.8132 8.1656 118.8806 59.0959 29.8866 178.4467 115 R 3.8038 7.7471 118.0550 59.4366 30.1747 178.3965 116 L 3.9084 7.7250 118.6889 58.0985 41.6182 179.8463 117 S 4.2318 8.0655 114.9534 61.6366 62.7106 176.5059 118 D 4.4373 8.2844 121.7404 57.3438 40.3062 178.8196 119 I 3.8209 7.5676 119.4922 64.2826 37.3711 178.4046 120 K 4.2355 7.9962 118.7573 59.6983 31.9933 178.9262 121 Q 4.0814 8.6771 120.3113 59.4809 28.7474 179.4753 122 G 3.5709 8.2364 106.3619 48.0755 0.0000 175.0393 123 Y 4.0343 8.1990 117.0153 59.5969 37.9034 177.7122 124 T 4.3255 7.6961 116.0923 63.9882 69.3397 174.9307 125 Q 4.4081 7.8242 120.0289 56.0874 30.8587 174.3582 126 H 4.6268 7.6529 110.2630 55.4732 29.6294 172.3108 127 G 3.9488 9.4965 109.3872 44.8485 0.0000 175.8184 128 G 3.7844 8.1405 105.1951 45.8224 0.0000 172.7890 129 L 4.7398 6.9677 116.6351 52.1648 44.1466 176.5052 130 R 4.1980 8.1404 116.4385 55.1673 30.2558 174.6908 131 P 4.5283 0.0000 0.0000 62.1441 32.2919 175.6142 132 F 4.4339 8.5686 118.4172 57.0378 40.2695 177.4498 133 G 4.0492 8.8620 115.7728 45.6520 0.0000 172.8725 134 V 4.9029 7.3288 116.9088 61.2526 35.3134 175.3854 135 S 4.6142 8.1698 120.2603 56.7410 66.9507 173.0510 136 F 5.0012 8.7489 121.6118 55.6378 42.1547 174.9757 137 I 4.4177 8.2816 122.6403 59.9200 39.4779 174.1271 138 Y 5.0138 8.8001 125.2576 56.7171 39.3209 175.0822 139 A 4.7522 9.1575 126.6629 50.3159 21.5966 175.2335 140 G 4.4971 8.4976 108.0926 46.0015 0.0000 171.2171 141 Y 4.9972 8.9121 121.0397 55.8616 41.7701 173.8812 142 D 4.5668 7.4593 124.1828 51.4153 42.7169 174.7416 143 D 4.3892 8.3647 117.0710 53.8881 39.7114 176.3946 144 R 4.0776 8.4911 126.2522 56.6277 29.9882 175.5545 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 G 8.35 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 5 S 8.53 4.56 0.00 4.04 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 6 R 8.39 3.85 0.00 1.84 1.95 0.00 3.16 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 7 R 7.97 3.72 0.00 1.53 1.03 0.00 2.58 0.00 0.00 2.98 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.37 0.00 8 Y 7.93 4.52 0.00 2.94 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 9 D 7.78 4.58 0.00 2.68 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 10 S 8.74 4.18 0.00 3.92 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 11 R 8.50 3.81 0.00 2.02 1.96 0.00 3.14 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 12 T 7.93 4.04 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 13 T 7.46 4.53 4.32 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 1.22 0.00 0.00 14 I 7.65 4.38 1.96 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.02 0.98 0.00 0.00 15 F 8.36 4.83 0.00 3.07 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 16 S 8.43 4.90 0.00 3.76 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 17 P 0.00 3.81 0.00 2.09 2.21 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 18 E 8.12 4.23 0.00 1.88 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 2.27 2.35 0.00 19 G 8.91 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 4.61 0.00 1.63 1.81 0.00 3.05 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 21 L 7.74 4.79 0.00 1.59 1.50 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.06 3.45 0.00 2.85 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 0.00 0.00 0.00 0.00 23 Q 8.02 4.00 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 24 V 7.65 3.57 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 1.08 0.00 0.00 0.92 0.00 0.00 25 E 8.23 3.95 0.00 1.97 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 2.33 2.39 0.00 26 Y 8.28 4.43 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 27 A 8.71 4.06 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 28 L 8.10 3.94 0.00 2.00 1.75 0.94 0.68 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 29 E 8.13 3.92 0.00 2.05 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 2.37 2.44 0.00 30 S 8.21 4.31 0.00 3.98 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 0.00 31 I 7.75 3.78 1.96 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 1.55 0.70 0.92 0.00 0.00 32 S 7.88 4.18 0.00 3.95 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 33 H 7.82 4.71 0.00 3.29 3.34 0.00 5.64 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 34 A 7.85 4.46 1.22 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 0.00 0.00 35 G 8.48 4.23 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 0.00 36 T 8.62 4.34 4.23 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 1.20 0.00 0.00 37 A 8.53 5.17 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.67 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.83 0.91 0.00 0.00 39 G 8.72 4.41 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 0.00 0.00 0.00 40 I 8.78 4.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.92 0.00 0.00 41 M 8.81 4.91 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 42 A 8.84 4.72 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 43 S 8.73 4.16 0.00 4.00 4.04 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 44 D 8.62 4.82 0.00 2.76 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 45 G 6.45 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 46 I 7.76 5.09 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.97 0.00 0.00 47 V 9.01 4.52 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 0.98 0.00 0.00 0.93 0.00 0.00 48 L 8.63 5.31 0.00 1.52 1.53 0.94 0.74 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 49 A 9.23 4.84 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 50 A 8.51 4.89 1.15 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 51 E 9.01 4.52 0.00 2.00 1.80 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 2.21 2.25 0.00 52 R 8.58 4.11 0.00 1.83 1.87 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 53 K 8.73 3.98 0.00 1.71 1.70 0.00 1.93 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 V 8.55 3.06 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 0.84 0.00 0.00 0.93 0.00 0.00 55 T 8.08 4.74 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 56 S 7.98 4.64 0.00 3.82 3.69 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 57 T 8.46 4.02 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 58 L 7.79 4.08 0.00 1.61 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.16 3.76 0.00 1.65 1.76 0.92 0.93 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 60 E 8.66 4.16 0.00 2.09 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 2.37 2.35 0.00 61 Q 8.46 4.19 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 62 D 8.18 4.35 0.00 2.68 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 63 T 7.25 4.23 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 1.22 0.00 0.00 63A S 7.30 4.66 0.00 3.98 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 64 T 7.85 4.21 4.18 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 0.64 0.00 0.00 65 E 8.62 4.80 0.00 2.04 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 2.12 2.26 0.00 66 K 7.61 4.49 0.00 1.60 1.76 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.41 7.81 67 L 7.60 5.03 0.00 1.35 1.49 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.07 4.83 0.00 2.87 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 69 K 8.86 4.55 0.00 1.75 1.77 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.51 7.81 70 L 8.68 4.48 0.00 1.79 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.91 5.05 0.00 2.64 2.78 0.00 0.00 7.23 7.77 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 72 D 8.79 4.73 0.00 2.72 2.72 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 73 K 7.97 4.77 0.00 1.72 2.07 0.00 1.73 0.00 0.00 2.24 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.49 7.81 74 I 7.58 5.21 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 0.97 0.00 0.00 75 A 9.03 5.12 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 76 V 9.12 5.03 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 0.40 0.00 0.00 0.99 0.00 0.00 77 A 8.66 5.25 1.22 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 0.00 0.00 78 V 8.86 4.60 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 0.61 0.00 0.00 1.32 0.00 0.00 79 A 8.12 4.18 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.62 3.69 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 0.00 81 L 8.84 4.12 0.00 1.65 1.65 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.88 3.87 4.29 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 1.34 0.00 0.00 83 A 8.13 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.41 0.00 2.98 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 85 A 8.33 4.09 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 86 E 8.35 3.60 0.00 2.12 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 2.01 2.48 0.00 87 I 7.54 3.71 2.18 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 1.81 1.52 1.04 0.00 0.00 88 L 7.67 3.96 0.00 1.87 1.55 0.60 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.09 3.53 1.76 0.00 0.00 0.34 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 0.83 0.76 0.00 0.00 90 N 8.58 4.26 0.00 2.74 2.78 0.00 0.00 6.99 7.25 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 91 T 7.59 3.92 4.23 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 1.23 0.00 0.00 92 A 7.92 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.90 0.00 2.00 2.00 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 94 I 7.87 3.71 2.05 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 1.42 0.78 0.94 0.00 0.00 95 H 8.41 4.11 0.00 3.29 3.53 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.01 3.94 1.36 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 97 Q 7.80 3.96 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 98 N 8.35 4.29 0.00 2.95 2.91 0.00 0.00 6.71 7.33 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 99 Y 8.14 4.06 0.00 3.08 3.16 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 0.00 0.00 0.00 0.00 100 L 8.00 4.56 0.00 1.92 1.92 1.06 0.51 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 0.00 101 K 8.37 3.82 0.00 1.85 1.89 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 102 T 7.94 3.83 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 0.36 0.00 0.00 103 Y 7.54 4.43 0.00 2.62 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 0.00 104 N 8.81 4.38 0.00 2.84 2.92 0.00 0.00 6.72 8.21 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 0.00 105 E 7.79 4.83 0.00 2.12 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 2.35 2.58 0.00 106 D 8.67 4.74 0.00 2.70 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 0.00 107 I 8.53 2.44 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.31 0.78 0.00 0.00 108 P 0.00 4.10 0.00 1.95 1.78 0.00 2.64 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 109 V 8.11 3.37 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 0.93 0.00 0.00 0.88 0.00 0.00 110 E 8.07 3.77 0.00 1.97 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 2.28 2.31 0.00 111 I 7.48 3.59 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.77 0.00 0.00 112 L 7.56 3.92 0.00 1.56 1.67 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.39 2.94 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 0.21 0.00 0.00 0.24 0.00 0.00 114 R 8.17 3.81 0.00 1.91 1.97 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 115 R 7.75 3.80 0.00 1.88 1.99 0.00 3.12 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.56 0.00 116 L 7.73 3.91 0.00 1.79 1.72 0.70 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.07 4.23 0.00 4.00 3.94 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 0.00 118 D 8.28 4.44 0.00 2.92 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 0.00 119 I 7.57 3.82 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.96 0.00 0.00 120 K 8.00 4.24 0.00 2.08 1.95 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.42 1.54 7.81 121 Q 8.68 4.08 0.00 2.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 122 G 8.24 3.57 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 0.00 0.00 0.00 123 Y 8.20 4.03 0.00 3.23 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 0.00 124 T 7.70 4.33 4.46 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 1.16 0.00 0.00 125 Q 7.82 4.41 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 126 H 7.65 4.63 0.00 3.16 3.20 0.00 5.75 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 0.00 127 G 9.50 3.95 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 0.00 128 G 8.14 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 0.00 0.00 0.00 129 L 6.97 4.74 0.00 1.69 1.65 0.94 0.85 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 0.00 130 R 8.14 4.20 0.00 1.91 1.92 0.00 3.00 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 131 P 0.00 4.53 0.00 2.09 2.12 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 132 F 8.57 4.43 0.00 2.90 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 0.00 133 G 8.86 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 4.90 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 -0.16 0.00 0.00 0.92 0.00 0.00 135 S 8.17 4.61 0.00 3.59 3.59 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 0.00 136 F 8.75 5.00 0.00 2.33 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 0.00 0.00 0.00 137 I 8.28 4.42 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.94 0.00 0.00 138 Y 8.80 5.01 0.00 2.80 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 0.00 139 A 9.16 4.75 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 0.00 140 G 8.50 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 0.00 141 Y 8.91 5.00 0.00 2.97 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 0.00 142 D 7.46 4.57 0.00 2.54 2.39 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 0.00 143 D 8.36 4.39 0.00 2.81 2.83 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 0.00 144 R 8.49 4.08 0.00 1.65 1.83 0.00 3.22 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00