NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4441 8.3044 118.1953 55.2065 32.5475 174.3934 1 V 4.2196 7.8856 118.6255 60.8631 34.2695 173.3262 2 L 4.3120 8.3383 127.6387 54.0000 43.5630 176.9016 3 S 4.5490 8.5725 117.4005 57.6291 65.3830 175.1621 4 E 4.2928 8.7956 122.3456 59.4620 29.3258 178.9538 5 G 3.6286 8.1062 105.3865 47.7644 0.0000 175.4446 6 E 3.9093 8.0442 120.3548 59.0140 29.4133 179.3712 7 W 4.3487 7.9686 118.9979 59.9583 29.1008 178.5720 8 Q 4.1429 8.6208 118.2939 58.9950 27.9905 178.8794 9 L 4.0850 7.8872 119.6884 57.6325 41.6423 179.7634 10 V 3.7664 7.9142 118.2066 66.2382 31.6199 178.2095 11 L 4.2973 8.5660 118.7171 57.4766 41.0831 179.0683 12 H 4.2764 8.4445 119.1602 59.2743 29.8865 177.6924 13 V 3.4410 7.7631 121.1411 64.4175 31.2533 178.1384 14 W 3.9470 8.6015 128.8977 60.0991 30.2781 177.7501 15 A 3.9644 7.9464 120.1938 54.9234 18.0308 179.5768 16 K 3.9355 7.3385 116.7534 59.5150 32.1703 179.5175 17 V 2.8167 7.1621 118.4519 65.9294 31.0004 177.7410 18 E 3.8578 7.6497 116.0610 58.2984 29.2819 178.6289 19 A 4.1983 7.5318 120.4039 53.7573 19.9809 177.5833 20 D 4.6548 7.9157 116.7554 51.9713 42.4198 175.5145 21 V 3.4623 7.8930 122.9476 65.5499 32.0751 176.7700 22 A 4.0547 7.9815 120.1975 55.0272 18.2729 179.7351 23 G 3.7470 8.1485 105.5400 47.8200 0.0000 175.7370 24 H 4.1378 8.2484 119.1995 58.2695 28.6603 178.0946 25 G 3.5961 8.3641 107.9059 47.8710 0.0000 175.7028 26 Q 3.8768 7.9977 120.5500 58.7635 28.7805 178.5598 27 D 4.2926 7.9155 119.7728 57.4782 40.8186 179.1648 28 I 3.6512 7.8331 120.1481 64.4029 37.0759 178.5876 29 L 3.4491 7.6757 119.8066 57.5468 41.2587 179.6869 30 I 3.6289 7.6662 119.8631 64.1373 36.9402 178.3622 31 R 3.7660 7.8296 119.5870 59.2458 29.8622 178.2644 32 L 3.9123 7.7733 119.9668 58.4023 41.8390 179.0883 33 F 4.5992 8.0279 117.9100 60.3178 38.5117 177.9301 34 K 4.0437 8.1146 117.8282 59.4958 32.1278 179.3092 35 S 4.2653 8.1805 114.5996 60.4691 64.1706 174.5568 36 H 4.7675 8.1988 118.3364 51.8553 29.3283 171.7646 37 P 4.5591 0.0000 0.0000 64.4611 31.5552 177.5131 38 E 4.8840 8.4327 117.7524 59.0881 29.5365 179.0876 39 T 3.8085 8.0384 110.8085 64.4384 68.7548 176.2796 40 L 3.6983 7.8673 123.3053 57.7188 42.0047 178.6511 41 E 4.1055 8.1192 118.2842 58.9720 29.1347 178.7266 42 K 4.4461 7.9677 116.3989 56.7369 32.6766 177.4857 43 F 4.5069 8.0496 119.3871 55.5745 39.5207 175.6274 44 D 4.3743 8.4741 124.5493 57.2855 40.7661 178.5858 45 R 3.9250 7.6983 117.4366 57.9680 30.3311 177.0931 46 F 5.0472 7.4498 114.6440 56.9265 40.8943 177.1750 47 K 3.8374 8.4015 120.9522 59.8333 31.9768 177.7224 48 H 4.3624 8.2450 112.6678 57.5661 28.9444 175.6215 49 L 4.0010 7.5507 120.9451 55.2837 41.6031 176.9739 50 K 4.2562 9.3917 124.2618 57.7684 33.1080 177.2176 51 T 4.7433 7.4458 107.4261 58.9017 73.2594 174.2746 52 E 3.9266 8.6245 120.7927 59.1598 29.7192 178.4751 53 A 3.9775 7.9365 120.5049 55.2842 18.2796 179.3170 54 E 3.9426 7.7886 115.4300 59.7167 29.6716 179.1798 55 M 4.1520 8.0361 118.7469 58.4227 31.8211 179.0201 56 K 3.9281 8.2608 117.6232 59.0543 32.2852 178.6288 57 A 4.3924 7.6852 118.8123 52.1729 18.8893 177.2537 58 S 4.2050 7.4460 113.8777 57.7193 62.7113 174.4858 59 E 4.0231 8.8521 129.3016 59.2084 29.4484 178.2264 60 D 4.4818 8.1273 118.8026 57.2564 41.0066 178.2400 61 L 3.2424 8.0360 120.9185 57.7602 42.1044 178.9194 62 K 3.8855 7.7884 119.3538 59.4127 32.1216 178.9554 63 K 4.0240 8.2504 118.8434 59.7677 31.9176 178.8575 64 H 4.3866 8.5432 118.7397 59.1347 29.7342 177.5172 65 G 3.5639 8.2908 107.7696 47.7072 0.0000 175.8906 66 V 3.6025 7.7071 120.0471 66.0396 31.6611 178.2105 67 T 3.8966 7.9430 115.5424 66.6296 68.2705 176.7774 68 V 3.6079 7.9469 120.1344 66.1646 31.6328 178.1988 69 L 4.2327 8.1929 118.7780 57.9843 41.4006 179.6910 70 T 4.0056 8.1915 115.7752 66.4535 68.2605 176.6300 71 A 3.9844 7.9797 122.5166 55.0988 18.4113 179.4714 72 L 3.7392 8.1669 119.1086 58.1072 42.1456 179.3210 73 G 3.3786 8.6303 105.9218 47.7702 0.0000 175.5300 74 A 4.0458 7.8336 122.1174 54.6878 18.6910 179.6777 75 I 3.7914 7.3287 118.3534 64.5641 37.2267 178.5216 76 L 3.9549 7.6958 119.8644 57.7644 41.1966 179.7327 77 K 3.9359 7.7003 116.8102 58.5788 32.2249 178.7716 78 K 3.9647 7.8821 117.9661 56.0920 32.5008 176.6603 79 K 2.0000 8.3318 118.3335 56.4704 29.8917 175.2890 80 G 3.9856 7.9490 105.9093 45.7876 0.0000 174.2158 81 H 4.6891 7.3928 118.9918 55.0786 27.4639 174.7498 82 H 5.1865 7.6023 111.7041 54.4114 29.6790 176.5443 83 E 3.9742 8.6054 120.7415 60.3316 28.6938 178.8629 84 A 3.9995 7.9502 119.9339 54.8344 17.2402 179.0289 85 E 4.0851 8.1429 116.5587 59.3658 29.5637 179.1776 86 L 4.2899 8.2359 120.5919 57.7178 42.0890 178.7132 87 K 3.8693 7.8952 118.7796 59.3745 32.1212 177.3832 88 P 4.3326 0.0000 0.0000 65.5867 31.3096 178.2022 89 L 4.0049 7.5509 118.5948 57.9731 42.0344 178.7579 90 A 4.1565 8.4505 121.2213 55.1458 18.2490 179.3512 91 Q 3.8804 8.1599 118.3040 59.4141 29.1146 178.7381 92 S 3.9791 8.1176 115.2658 61.8641 63.0029 176.1076 93 H 4.1243 8.6852 119.5008 57.7544 28.1951 177.6000 94 A 2.7179 7.7451 122.1034 54.4637 18.6728 179.0795 95 T 3.9404 7.5345 112.5621 65.1692 69.0518 176.3399 96 K 4.0616 7.4465 120.1061 58.9917 32.8145 177.3377 97 H 4.2635 7.9105 114.7861 56.3712 29.3301 175.3523 98 K 3.2604 7.5166 117.3102 56.8513 28.2686 174.6668 99 I 4.3366 7.9470 119.0526 58.4262 38.7244 174.7649 100 P 4.7050 0.0000 0.0000 61.8210 32.0577 177.4677 101 I 3.6837 8.4462 120.8417 64.5264 36.8820 178.4135 102 K 3.6659 7.9405 120.0169 59.8193 31.9480 178.2537 103 Y 4.1294 7.8606 116.7662 60.8394 37.7449 178.2265 104 L 4.2409 7.8363 119.6576 57.5332 41.7749 179.1256 105 E 4.0246 8.0529 118.9158 59.3346 29.3724 179.2520 106 F 4.5104 7.7721 117.8549 60.8254 38.9233 177.6438 107 I 3.8733 8.1439 118.1632 63.9977 37.7302 178.0881 108 S 4.1921 8.2655 116.4446 61.4925 62.6653 176.1958 109 E 4.0123 8.4086 121.8461 59.2600 29.4209 178.7460 110 A 4.0493 8.0727 120.8799 55.1557 18.4200 179.7092 111 I 3.7000 8.0987 118.4922 64.6672 37.1880 178.7504 112 I 3.8474 7.8822 120.6951 64.6052 36.9199 178.0133 113 H 4.1362 8.4335 119.1299 59.3015 29.7135 177.5870 114 V 3.5853 7.9000 120.0915 65.9434 31.3269 178.0540 115 L 3.8011 7.8986 118.8562 57.7690 41.0428 178.9204 116 H 4.3257 7.9491 117.5084 59.3937 29.8864 177.3168 117 S 4.1674 7.7806 115.9320 61.5574 62.8275 176.4063 118 R 4.1022 7.8150 118.7993 57.4138 31.2020 176.3605 119 H 5.0316 8.2192 115.9180 53.7657 29.6135 172.9988 120 P 4.3281 0.0000 0.0000 65.8876 31.5672 179.1960 121 G 3.6392 8.1333 106.5111 47.4558 0.0000 173.7190 122 N 5.0136 8.2364 115.2882 52.9546 39.4813 174.8267 123 F 4.9291 7.8328 119.3644 56.4035 39.6694 174.3266 124 G 3.9090 7.6669 108.9798 43.9037 0.0000 171.9100 125 A 3.9007 8.4330 120.6812 55.4661 18.3268 179.6667 126 D 4.2008 7.9905 116.5245 57.4814 40.9021 178.8038 127 A 3.9330 7.7419 120.7798 55.0424 18.3604 179.3336 128 Q 3.1168 7.7316 118.3063 58.7736 29.0373 178.5864 129 G 3.4996 8.0754 106.7123 47.6872 0.0000 175.5702 130 A 3.8671 7.9563 123.2991 54.9914 18.3714 179.4363 131 M 4.0083 8.1948 116.8756 58.6988 32.2646 177.9332 132 N 4.3167 8.5285 117.7109 56.6106 39.1568 176.7749 133 K 3.8445 8.1061 120.8040 59.3126 32.2555 178.7025 134 A 3.8323 7.9652 121.1196 55.1633 18.2761 179.6862 135 L 4.1347 8.1460 117.4971 57.7480 41.5702 179.5923 136 E 3.9893 8.5279 119.1244 59.1000 29.3349 178.9781 137 L 3.9420 8.0559 120.4113 58.0900 42.1503 178.5586 138 F 4.1783 8.3324 120.5031 61.7331 39.2369 177.3649 139 R 3.5321 8.2141 117.4677 58.8464 29.8087 179.0786 140 K 3.8468 8.2645 119.7379 59.6792 32.3345 178.7609 141 D 4.3512 8.1990 119.2526 57.2654 40.6090 178.8761 142 I 3.4464 7.6129 120.3779 63.9663 36.9921 178.2295 143 A 3.7652 7.8971 121.6327 55.0552 18.2905 179.5688 144 A 3.9567 7.8718 119.1876 55.2534 18.4585 180.0904 145 K 4.0136 8.0176 116.9023 59.5990 32.0527 179.0058 146 Y 4.3852 8.4033 117.5394 61.1474 37.8348 178.7337 147 K 3.9280 8.1263 120.1368 59.8362 32.1283 178.6808 148 E 4.0444 7.9325 116.9088 59.1522 29.4477 178.6753 149 L 4.3410 7.8852 116.9452 55.2411 41.9398 177.7737 150 G 3.9495 8.0264 107.3405 45.6016 0.0000 172.8382 151 Y 4.2918 8.4037 119.5818 59.1720 40.2331 176.7312 152 Q 3.2799 8.3457 115.6636 56.4670 27.7957 173.6893 153 G 2.8163 6.2894 111.2135 45.0477 0.0000 174.0323 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 M 8.30 4.44 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.89 4.22 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 0.88 0.00 0.00 0.95 0.00 0.00 2 L 8.34 4.31 0.00 0.94 0.68 0.62 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.57 4.55 0.00 4.07 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 4 E 8.80 4.29 0.00 2.20 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 2.43 2.51 0.00 5 G 8.11 3.63 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 0.00 0.00 0.00 6 E 8.04 3.91 0.00 1.91 1.70 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 2.21 2.25 0.00 7 W 7.97 4.35 0.00 3.62 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 8 Q 8.62 4.14 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 9 L 7.89 4.09 0.00 1.85 1.74 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.91 3.77 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 1.18 0.00 0.00 0.92 0.00 0.00 11 L 8.57 4.30 0.00 1.84 1.82 0.95 0.91 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 12 H 8.44 4.28 0.00 3.41 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.76 3.44 2.42 0.00 0.00 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 0.85 0.00 0.00 14 W 8.60 3.95 0.00 3.64 3.18 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 15 A 7.95 3.96 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 16 K 7.34 3.94 0.00 1.54 1.70 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.66 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.45 7.81 17 V 7.16 2.82 1.03 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 -0.11 0.00 0.00 0.43 0.00 0.00 18 E 7.65 3.86 0.00 1.98 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 2.18 2.09 0.00 19 A 7.53 4.20 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 20 D 7.92 4.65 0.00 2.70 2.51 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 0.00 21 V 7.89 3.46 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.98 4.05 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 23 G 8.15 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.25 4.14 0.00 3.11 3.23 0.00 5.83 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 25 G 8.36 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 0.00 0.00 0.00 26 Q 8.00 3.88 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 27 D 7.92 4.29 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 28 I 7.83 3.65 1.88 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 1.51 0.63 0.89 0.00 0.00 29 L 7.68 3.45 0.00 1.39 0.99 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.67 3.63 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.87 0.00 0.00 31 R 7.83 3.77 0.00 1.91 2.12 0.00 3.02 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 32 L 7.77 3.91 0.00 1.69 1.42 1.08 0.89 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 33 F 8.03 4.60 0.00 3.01 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 34 K 8.11 4.04 0.00 1.89 1.82 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.62 7.81 35 S 8.18 4.27 0.00 3.70 3.55 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 36 H 8.20 4.77 0.00 2.95 2.80 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.56 0.00 2.15 2.12 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 38 E 8.43 4.88 0.00 2.35 2.29 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 2.27 2.38 0.00 39 T 8.04 3.81 4.45 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 0.00 0.00 0.00 0.90 0.00 0.00 40 L 7.87 3.70 0.00 1.33 1.76 0.00 0.72 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 41 E 8.12 4.11 0.00 2.34 2.05 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 2.37 2.44 0.00 42 K 7.97 4.45 0.00 1.78 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.71 1.92 7.81 43 F 8.05 4.51 0.00 3.25 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.47 4.37 0.00 2.57 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 45 R 7.70 3.93 0.00 0.94 1.03 0.00 2.98 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.50 0.00 46 F 7.45 5.05 0.00 2.86 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 47 K 8.40 3.84 0.00 1.75 1.95 0.00 1.90 0.00 0.00 2.01 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.77 7.81 48 H 8.24 4.36 0.00 3.29 3.45 0.00 5.54 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.55 4.00 0.00 1.58 1.60 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.39 4.26 0.00 1.77 1.85 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.54 7.81 51 T 7.45 4.74 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 52 E 8.62 3.93 0.00 2.04 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 2.35 2.35 0.00 53 A 7.94 3.98 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 54 E 7.79 3.94 0.00 2.10 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 2.35 2.34 0.00 55 M 8.04 4.15 0.00 2.05 2.24 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 2.74 2.58 0.00 56 K 8.26 3.93 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.51 7.81 57 A 7.69 4.39 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 58 S 7.45 4.20 0.00 3.83 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 59 E 8.85 4.02 0.00 2.14 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 2.39 2.48 0.00 60 D 8.13 4.48 0.00 3.06 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 61 L 8.04 3.24 0.00 1.08 1.55 0.76 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.79 3.89 0.00 1.78 1.93 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.25 4.02 0.00 2.08 1.91 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.72 7.81 64 H 8.54 4.39 0.00 3.66 3.56 0.00 5.79 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 65 G 8.29 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 66 V 7.71 3.60 2.26 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.94 3.90 4.38 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 1.27 0.00 0.00 68 V 7.95 3.61 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 1.10 0.00 0.00 0.99 0.00 0.00 69 L 8.19 4.23 0.00 1.79 1.87 0.88 0.83 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 70 T 8.19 4.01 4.42 0.00 0.00 0.00 0.00 0.00 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 71 A 7.98 3.98 1.41 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 72 L 8.17 3.74 0.00 1.61 1.75 0.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.63 3.38 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 0.00 74 A 7.83 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 75 I 7.33 3.79 1.86 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 1.54 1.11 0.89 0.00 0.00 76 L 7.70 3.95 0.00 1.35 1.54 -0.23 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.70 3.94 0.00 1.66 1.80 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.88 3.96 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.65 1.75 7.81 79 K 8.33 2.00 0.00 1.24 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.31 0.66 7.81 80 G 7.95 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 81 H 7.39 4.69 0.00 3.05 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.60 5.19 0.00 3.30 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.97 0.00 2.20 2.31 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 2.39 2.37 0.00 84 A 7.95 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.14 4.09 0.00 2.26 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 2.44 0.00 86 L 8.24 4.29 0.00 1.96 1.66 0.97 0.43 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 87 K 7.90 3.87 0.00 1.98 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 88 P 0.00 4.33 0.00 2.30 2.33 0.00 3.95 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 2.23 2.05 0.00 89 L 7.55 4.00 0.00 1.83 1.88 0.99 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.16 1.46 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 0.00 0.00 91 Q 8.16 3.88 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.12 3.98 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 93 H 8.69 4.12 0.00 3.52 3.57 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 94 A 7.75 2.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.53 3.94 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 1.13 0.00 0.00 96 K 7.45 4.06 0.00 1.54 1.60 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.36 7.81 97 H 7.91 4.26 0.00 3.02 3.14 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.52 3.26 0.00 1.81 1.82 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.33 7.81 99 I 7.95 4.34 2.07 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 1.53 0.99 1.15 0.00 0.00 100 P 0.00 4.71 0.00 1.97 2.04 0.00 3.44 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 0.82 1.26 0.00 101 I 8.45 3.68 1.84 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.83 0.83 0.00 0.00 102 K 7.94 3.67 0.00 1.73 1.63 0.00 1.35 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.51 0.94 7.81 103 Y 7.86 4.13 0.00 3.22 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 0.00 104 L 7.84 4.24 0.00 1.83 1.78 0.74 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.05 4.02 0.00 2.08 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 2.33 2.44 0.00 106 F 7.77 4.51 0.00 3.19 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 0.00 107 I 8.14 3.87 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 1.10 0.00 0.00 108 S 8.27 4.19 0.00 4.21 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 0.00 109 E 8.41 4.01 0.00 2.19 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 2.39 2.41 0.00 110 A 8.07 4.05 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 0.00 111 I 8.10 3.70 2.11 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 1.61 0.86 1.04 0.00 0.00 112 I 7.88 3.85 2.12 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 1.70 0.83 1.13 0.00 0.00 113 H 8.43 4.14 0.00 3.38 3.48 0.00 5.78 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 0.00 114 V 7.90 3.59 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 0.91 0.00 0.00 0.96 0.00 0.00 115 L 7.90 3.80 0.00 0.56 0.57 0.81 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 0.00 116 H 7.95 4.33 0.00 3.42 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.78 4.17 0.00 3.81 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 0.00 118 R 7.81 4.10 0.00 1.61 1.62 0.00 3.11 0.00 0.00 2.98 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 119 H 8.22 5.03 0.00 3.18 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.21 2.27 0.00 3.74 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.13 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 0.00 122 N 8.24 5.01 0.00 2.79 2.90 0.00 0.00 6.66 7.17 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 0.00 123 F 7.83 4.93 0.00 2.92 3.01 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 0.00 124 G 7.67 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 0.00 0.00 0.00 125 A 8.43 3.90 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 0.00 126 D 7.99 4.20 0.00 2.65 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 0.00 127 A 7.74 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 0.00 128 Q 7.73 3.12 0.00 1.28 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 129 G 8.08 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 0.00 130 A 7.96 3.87 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 0.00 131 M 8.19 4.01 0.00 2.37 2.37 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.91 0.00 132 N 8.53 4.32 0.00 2.91 2.92 0.00 0.00 6.85 6.79 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 0.00 133 K 8.11 3.84 0.00 1.93 1.75 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.37 7.81 134 A 7.97 3.83 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 0.00 135 L 8.15 4.13 0.00 1.77 1.82 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 3.99 0.00 2.15 2.00 0.00 0.00 0.00 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 2.56 0.00 137 L 8.06 3.94 0.00 1.88 1.99 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.33 4.18 0.00 3.13 3.19 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 0.00 139 R 8.21 3.53 0.00 1.99 1.86 0.00 3.17 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.02 0.00 140 K 8.26 3.85 0.00 1.87 1.93 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.20 4.35 0.00 2.70 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 0.00 142 I 7.61 3.45 1.27 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.16 0.05 0.00 0.00 143 A 7.90 3.77 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 0.00 144 A 7.87 3.96 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 0.00 145 K 8.02 4.01 0.00 2.04 1.93 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.40 4.39 0.00 3.16 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 0.00 147 K 8.13 3.93 0.00 2.00 2.04 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.93 4.04 0.00 2.20 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 2.36 2.49 0.00 149 L 7.89 4.34 0.00 1.81 1.71 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.03 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 0.00 151 Y 8.40 4.29 0.00 2.77 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 0.00 152 Q 8.35 3.28 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 153 G 6.29 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00