NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4123 8.2893 120.3486 55.3557 33.0187 174.6832 2 N 4.6510 8.5871 124.1539 51.4370 38.8948 173.0222 3 I 4.5827 8.8209 121.3783 59.5646 41.8437 176.3294 4 I 4.3543 8.3227 123.9422 59.6467 38.4165 175.1167 5 K 4.4365 8.5919 124.9158 54.4017 33.8874 176.3438 6 A 4.5535 8.3754 126.4995 50.8335 20.9328 175.0392 7 N 5.0685 8.1942 116.7096 51.9613 41.6646 175.5192 8 V 3.9399 8.1084 114.0143 62.4525 32.3816 176.2743 9 A 4.1858 8.0327 123.7651 52.0416 18.6689 178.0529 10 A 4.6319 8.2726 123.0524 51.2161 21.5861 174.0338 11 P 4.8270 0.0000 0.0000 64.9238 32.1597 178.8956 12 D 4.6339 8.0684 115.3378 54.3712 40.5518 175.8407 13 A 4.5833 7.6510 124.6410 51.9294 20.1173 178.1862 14 R 4.8332 9.6479 120.5143 55.0935 32.7624 175.9353 15 V 4.9487 8.8751 124.2549 60.0003 34.8485 173.9434 16 A 4.8543 8.5010 128.4299 50.0677 21.5608 175.1642 17 I 4.7877 8.7631 123.7313 59.5916 39.3749 174.6916 18 T 4.7888 8.5337 117.7493 59.9803 70.8333 173.4101 19 I 5.1550 8.3483 126.5681 58.2254 40.4637 174.5311 20 A 5.0429 8.4498 128.0141 51.3299 19.1804 177.9179 21 R 4.4303 9.2950 119.4528 58.5102 30.2499 177.0056 22 F 4.6321 8.2349 121.2595 60.0286 39.6590 174.3736 23 N 4.7026 9.8527 123.9248 54.3856 35.5544 176.0161 24 Q 4.1557 8.4304 120.4121 59.5404 28.0000 178.1401 25 F 3.8130 8.5002 121.4155 61.1168 39.4438 176.3917 26 I 4.2048 8.2302 118.5782 63.6932 37.7664 177.7258 27 N 4.3576 8.2883 116.6412 56.3369 38.2714 176.9294 28 D 4.5721 8.8082 120.9389 57.6405 41.0018 178.8347 29 S 4.0712 7.9563 112.9770 60.9999 62.4353 175.4090 30 L 4.0476 7.8771 123.2566 58.6979 41.6485 178.3200 31 L 3.8596 8.4673 120.5101 57.6389 41.9630 178.5716 32 D 4.5021 8.5022 118.5391 57.3584 40.9477 179.7419 33 G 3.6165 8.1273 105.7558 47.7932 0.0000 175.3465 34 A 3.9240 7.7987 123.3159 54.6843 18.5056 179.2867 35 V 3.4477 7.8976 116.7735 66.3427 31.5528 177.3197 36 D 4.3154 8.1649 117.0962 57.7798 40.9304 177.7839 37 A 3.9223 8.2889 120.9182 55.7230 18.2635 179.0682 38 L 3.8884 8.4911 116.5944 59.0964 41.9112 179.8638 39 T 4.1938 8.1899 110.9238 64.0218 68.6395 176.3196 40 R 3.8615 8.2225 123.7301 58.2529 30.6463 177.9948 41 I 4.0754 8.1140 117.4822 63.5420 37.7977 177.1355 42 G 3.7553 7.9430 106.5392 45.1080 0.0000 173.8486 43 Q 3.7033 8.2006 119.8399 56.6063 27.9793 172.8147 44 V 3.9776 7.5563 116.6725 61.7948 32.2836 175.1581 45 K 4.2925 8.5487 128.7365 56.2263 32.6055 176.5675 46 D 4.7296 8.7965 124.5426 53.9239 39.1359 176.2055 47 D 4.8086 7.9935 117.0051 53.7712 40.1940 176.2669 48 N 4.7060 8.5690 117.7142 53.6249 39.3271 174.0537 49 I 4.9623 7.5916 120.2690 60.1744 38.4223 175.1375 50 T 4.7078 8.8549 117.6116 59.6905 71.8288 173.1104 51 V 4.5749 8.3913 123.6250 61.0866 34.1090 174.5307 52 V 4.2978 9.0131 129.0817 60.8577 33.6209 174.4958 53 W 4.9724 8.9713 129.0890 56.3948 29.6251 176.4666 54 V 4.3257 8.6330 119.0604 58.9856 33.6651 174.4541 55 P 4.3284 0.0000 0.0000 64.8972 31.1975 176.9006 56 G 4.5174 7.9524 108.0154 42.8407 0.0000 174.0934 57 A 4.1066 8.4812 120.7330 54.8117 18.0910 179.3234 58 Y 4.2206 8.1394 117.0998 60.6755 39.2635 177.4064 59 E 4.0942 8.3221 118.9178 58.2035 29.5637 178.7325 60 L 3.8795 7.5027 119.3820 58.2153 41.6256 176.9722 61 P 4.1755 0.0000 0.0000 64.7392 31.0831 178.0575 62 L 3.8130 7.6467 117.9854 58.4361 42.4823 179.3580 63 A 3.9799 7.8331 120.2460 55.6223 18.3354 179.8424 64 T 3.8250 8.1973 108.4343 64.5147 68.7098 176.1577 65 E 3.8402 8.9173 122.6247 59.1805 29.6547 178.2795 66 A 4.0095 8.0089 120.6175 55.6395 18.1842 179.6378 67 L 4.0946 7.5856 114.8212 57.8639 41.9550 179.4650 68 A 4.2324 8.3005 120.8476 55.1287 18.2505 179.8326 69 K 3.9483 8.2482 116.2531 59.5949 32.1280 179.0184 70 S 4.2041 8.1063 112.9706 59.4329 62.2356 175.8635 71 G 3.9541 8.5186 110.5644 46.3157 0.0000 176.0363 72 K 3.7303 7.7247 120.4266 56.2943 31.8526 182.1636 73 Y 5.0933 6.9875 113.4898 56.9012 40.7821 175.4469 74 D 4.7258 9.2390 122.0956 55.9816 41.8379 176.4332 75 A 4.5466 7.3805 117.3792 51.2009 22.5048 175.0809 76 V 4.7558 8.2397 120.0273 61.0356 34.6362 174.4670 77 V 4.3840 8.7704 128.2518 61.4079 33.5060 174.1470 78 A 4.9336 8.5561 130.2938 49.7549 20.7512 175.2315 79 L 5.3497 8.0294 123.1199 52.7016 44.3858 176.3851 80 G 4.2232 7.6780 108.2918 45.9627 0.0000 171.8654 81 T 5.0875 8.5502 116.2462 61.4885 71.9888 174.2824 82 V 4.2130 9.0668 125.2665 61.3407 34.1280 173.8571 83 I 4.8103 8.1876 128.7373 59.5370 38.6703 175.9965 84 R 3.6362 8.4667 127.8952 56.6019 30.2749 176.3236 85 G 4.4286 8.3301 116.1505 44.2589 0.0000 172.9260 86 G 3.6322 8.7939 107.6542 47.5475 0.0000 173.3392 87 T 4.5207 7.5907 108.3349 59.7014 71.6161 173.4907 88 A 4.4701 8.3630 121.2305 52.7724 18.7450 178.6927 89 H 4.2806 8.3595 120.2956 60.3550 29.9106 176.9109 90 F 3.9912 8.4650 122.0136 61.5848 39.0252 176.6229 91 E 3.6162 7.9199 118.0221 59.5532 29.3701 178.3557 92 Y 4.3376 7.3850 115.8034 60.6601 38.2027 177.5802 93 V 3.6519 7.7106 119.4176 65.8654 31.6258 177.7993 94 A 4.0862 7.8371 120.2159 55.3063 18.0534 179.5541 95 G 3.6352 8.1739 104.7050 47.6781 0.0000 175.9903 96 G 3.8798 8.6521 108.2558 45.8923 0.0000 174.6855 97 A 4.3136 7.8052 122.3585 54.2310 19.7735 179.1524 98 S 4.1472 8.2302 111.7259 61.8087 62.3837 176.2537 99 N 4.4312 8.5365 119.5066 56.0273 38.3316 177.3223 100 G 3.7677 7.6912 106.0590 48.1164 0.0000 175.4059 101 L 3.9929 7.9818 121.5731 57.2604 41.8558 179.5964 102 A 3.9836 8.0181 120.5210 55.1160 18.2164 179.5702 103 S 3.9496 8.3391 111.7919 61.5256 62.4595 176.1634 104 V 3.5425 7.8144 120.7062 66.2358 31.1239 177.7029 105 A 4.3819 7.8649 121.3402 54.8240 18.0136 179.4197 106 Q 3.9007 7.7000 116.4432 59.2480 29.1413 177.8114 107 D 4.5321 8.1163 119.4548 56.9293 41.2401 178.4226 108 S 4.3676 8.3590 113.0474 58.5879 63.5136 175.6224 109 G 3.8903 8.0948 109.4686 45.7340 0.0000 173.7426 110 V 3.9624 7.6446 121.1643 61.6359 33.0134 173.6240 111 P 4.5738 0.0000 0.0000 62.6468 32.5353 175.1672 112 V 4.9125 8.3938 123.3659 61.0385 34.0636 174.2087 113 A 4.4838 8.8840 130.2818 50.8642 20.5670 176.2325 114 F 4.8155 8.9977 126.6414 56.1864 38.3220 175.8657 115 G 3.9462 8.0398 117.5572 44.8140 0.0000 170.8183 116 V 4.5507 6.1147 117.4057 60.6159 34.0002 176.0732 117 L 4.2659 8.7952 129.4965 55.1167 42.7742 176.6613 118 T 5.5140 8.7140 112.5851 58.8267 68.8525 172.5578 119 T 4.6097 8.1619 120.9238 61.0570 72.0971 175.0368 120 E 4.1486 9.7777 120.4785 57.2216 30.5530 177.2023 121 S 4.7134 7.5909 112.0193 55.5771 67.6211 174.7992 122 I 3.6786 8.2335 123.1561 64.2798 36.6019 177.9281 123 E 3.9053 8.2152 119.0119 59.8100 29.7332 178.6943 124 Q 4.2847 8.1205 117.3842 58.8120 28.7768 178.5417 125 A 4.0223 7.7858 121.9272 55.4469 18.1338 179.7796 126 I 3.7724 7.8741 118.1346 64.5875 37.0942 178.5521 127 E 4.5602 8.0993 120.4690 58.0812 29.2798 178.3908 128 R 4.5269 8.0348 115.8420 55.6964 30.5204 176.7438 129 A 4.8389 7.2063 121.6118 52.6714 19.5244 177.0064 130 G 4.4519 7.9749 107.9857 48.1508 0.0000 175.4901 131 T 4.6103 7.5459 114.7132 60.1586 68.8681 175.8070 132 K 3.8114 9.1585 117.0839 59.3231 31.8059 177.8057 133 A 4.5811 7.7821 119.3463 52.0191 20.0386 178.9089 134 G 3.7397 8.1698 110.4640 47.3809 0.0000 173.9843 135 N 5.2919 8.2413 117.9267 50.9090 40.9976 175.5351 136 K 4.0076 8.9503 129.0181 59.0827 32.1336 179.1830 137 G 4.0511 8.2574 107.7113 47.3805 0.0000 175.6851 138 A 4.0697 7.8780 123.5133 54.3263 18.4469 179.2212 139 E 3.8720 8.4368 117.9493 59.3566 29.7282 178.9059 140 A 4.0746 8.5734 122.2645 54.3534 18.4363 179.4378 141 A 3.9040 8.1078 119.4140 55.2772 18.3860 179.9220 142 L 3.9170 8.0321 117.6674 58.2221 41.2560 179.9184 143 T 3.8380 8.1051 109.3253 64.5115 68.4583 176.2161 144 A 3.9702 7.9278 123.9292 55.0656 18.5878 179.0760 145 L 3.8537 7.8107 116.9206 58.1615 41.8202 179.2367 146 E 4.1687 8.2918 120.2376 59.1110 29.4280 178.9334 147 M 4.0516 7.9980 118.2095 58.4504 31.9371 178.5423 148 I 3.6971 7.6443 119.8324 64.7610 37.2650 178.2373 149 N 4.3142 8.0174 116.4560 56.2227 38.1597 177.4753 150 V 3.5782 7.9714 119.0030 66.1695 31.7384 177.9175 151 L 4.0811 8.3642 118.7757 57.7921 41.3903 179.1180 152 K 3.8329 8.0694 118.3631 59.6201 32.0561 177.2271 153 A 4.4604 8.1187 119.9889 51.7233 19.2031 177.2686 154 I 3.9048 7.8464 120.9170 63.1649 37.7014 174.0259 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 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.65 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.82 4.58 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.35 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 1.41 0.61 0.91 0.00 0.00 5 K 8.59 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 6 A 8.38 4.55 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.19 5.07 0.00 2.73 2.64 0.00 0.00 6.85 7.71 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 8 V 8.11 3.94 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.03 4.19 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 10 A 8.27 4.63 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 11 P 0.00 4.83 0.00 2.23 2.38 0.00 3.86 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 2.07 1.94 0.00 12 D 8.07 4.63 0.00 2.69 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 13 A 7.65 4.58 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 14 R 9.65 4.83 0.00 1.43 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.88 4.95 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 0.93 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.85 0.31 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 17 I 8.76 4.79 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 0.75 0.00 0.00 18 T 8.53 4.79 4.13 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 1.09 0.00 0.00 19 I 8.35 5.16 0.75 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.36 0.47 0.00 0.00 20 A 8.45 5.04 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 21 R 9.29 4.43 0.00 2.08 2.51 0.00 2.86 0.00 0.00 3.10 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.64 0.00 22 F 8.23 4.63 0.00 3.15 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 23 N 9.85 4.70 0.00 2.97 3.01 0.00 0.00 6.87 8.07 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 24 Q 8.43 4.16 0.00 2.51 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.50 3.81 0.00 3.14 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 26 I 8.23 4.20 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.12 0.95 0.00 0.00 27 N 8.29 4.36 0.00 2.87 2.92 0.00 0.00 7.08 8.08 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 28 D 8.81 4.57 0.00 2.66 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 29 S 7.96 4.07 0.00 3.81 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.88 4.05 0.00 1.91 1.63 0.96 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.47 3.86 0.00 1.78 1.77 0.77 0.99 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 32 D 8.50 4.50 0.00 2.85 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 33 G 8.13 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.80 3.92 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 35 V 7.90 3.45 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 0.97 0.00 0.00 0.96 0.00 0.00 36 D 8.16 4.32 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.29 3.92 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 38 L 8.49 3.89 0.00 1.85 1.74 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.19 4.19 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 1.27 0.00 0.00 40 R 8.22 3.86 0.00 1.80 2.24 0.00 3.24 0.00 0.00 3.59 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 8.11 4.08 2.07 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 1.23 0.97 0.91 0.00 0.00 42 G 7.94 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 0.00 0.00 0.00 0.00 43 Q 8.20 3.70 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.56 3.98 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 0.88 0.00 0.00 0.99 0.00 0.00 45 K 8.55 4.29 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.73 0.00 2.83 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 47 D 7.99 4.81 0.00 2.78 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 48 N 8.57 4.71 0.00 2.86 2.99 0.00 0.00 6.91 7.49 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 49 I 7.59 4.96 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 1.40 0.53 0.89 0.00 0.00 50 T 8.85 4.71 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 1.49 0.00 0.00 51 V 8.39 4.57 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 0.47 0.00 0.00 0.83 0.00 0.00 52 V 9.01 4.30 1.98 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.97 4.97 0.00 3.20 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 54 V 8.63 4.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.10 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.29 0.00 3.75 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 2.16 2.05 0.00 56 G 7.95 4.52 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 0.00 0.00 0.00 57 A 8.48 4.11 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 58 Y 8.14 4.22 0.00 2.91 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 59 E 8.32 4.09 0.00 2.03 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 2.67 2.58 0.00 60 L 7.50 3.88 0.00 1.78 1.70 0.89 0.84 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 61 P 0.00 4.18 0.00 2.02 1.93 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 62 L 7.65 3.81 0.00 1.63 1.65 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.98 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 64 T 8.20 3.82 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 1.19 0.00 0.00 65 E 8.92 3.84 0.00 2.00 2.18 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 2.31 2.33 0.00 66 A 8.01 4.01 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 67 L 7.59 4.09 0.00 1.77 1.65 0.63 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.30 4.23 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 69 K 8.25 3.95 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.60 7.81 70 S 8.11 4.20 0.00 3.92 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 0.00 71 G 8.52 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 72 K 7.72 3.73 0.00 1.82 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.28 7.81 73 Y 6.99 5.09 0.00 2.83 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 74 D 9.24 4.73 0.00 2.55 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 75 A 7.38 4.55 1.19 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 0.00 0.00 76 V 8.24 4.76 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 0.97 0.00 0.00 0.85 0.00 0.00 77 V 8.77 4.38 1.98 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.56 4.93 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 79 L 8.03 5.35 0.00 1.39 1.40 0.85 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.68 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 0.00 0.00 0.00 0.00 81 T 8.55 5.09 4.31 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 1.19 0.00 0.00 82 V 9.07 4.21 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 0.88 0.00 0.00 0.86 0.00 0.00 83 I 8.19 4.81 1.85 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 1.24 0.70 0.85 0.00 0.00 84 R 8.47 3.64 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 85 G 8.33 4.43 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 0.00 0.00 0.00 86 G 8.79 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 87 T 7.59 4.52 4.31 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 1.24 0.00 0.00 88 A 8.36 4.47 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 89 H 8.36 4.28 0.00 3.25 3.42 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.46 3.99 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.92 3.62 0.00 1.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 92 Y 7.39 4.34 0.00 2.99 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 93 V 7.71 3.65 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 1.04 0.00 0.00 0.77 0.00 0.00 94 A 7.84 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.17 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 96 G 8.65 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 97 A 7.81 4.31 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 98 S 8.23 4.15 0.00 3.74 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 99 N 8.54 4.43 0.00 2.87 2.83 0.00 0.00 6.95 8.38 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 0.00 100 G 7.69 3.77 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 0.00 0.00 0.00 101 L 7.98 3.99 0.00 2.05 1.82 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.02 3.98 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 0.00 103 S 8.34 3.95 0.00 3.96 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 0.00 104 V 7.81 3.54 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 105 A 7.86 4.38 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 0.00 106 Q 7.70 3.90 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.12 4.53 0.00 2.69 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 0.00 108 S 8.36 4.37 0.00 4.02 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 0.00 109 G 8.09 3.89 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 0.00 110 V 7.64 3.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.57 0.00 2.12 1.96 0.00 3.77 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 2.12 2.09 0.00 112 V 8.39 4.91 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 0.85 0.00 0.00 1.00 0.00 0.00 113 A 8.88 4.48 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 0.00 114 F 9.00 4.82 0.00 3.01 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 0.00 115 G 8.04 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 0.00 116 V 6.11 4.55 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 0.69 0.00 0.00 -0.03 0.00 0.00 117 L 8.80 4.27 0.00 1.61 1.58 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.71 5.51 4.44 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 1.24 0.00 0.00 119 T 8.16 4.61 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 1.27 0.00 0.00 120 E 9.78 4.15 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 121 S 7.59 4.71 0.00 3.95 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 0.00 122 I 8.23 3.68 1.84 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 0.48 0.87 0.00 0.00 123 E 8.22 3.91 0.00 1.93 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 2.30 2.50 0.00 124 Q 8.12 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.79 4.02 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 0.00 126 I 7.87 3.77 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.11 0.99 0.00 0.00 127 E 8.10 4.56 0.00 2.29 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 2.38 0.00 128 R 8.03 4.53 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.21 4.84 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 0.00 130 G 7.97 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 0.00 0.00 0.00 0.00 131 T 7.55 4.61 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 1.23 0.00 0.00 132 K 9.16 3.81 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 A 7.78 4.58 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 0.00 134 G 8.17 3.74 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 0.00 0.00 0.00 135 N 8.24 5.29 0.00 2.69 2.65 0.00 0.00 6.93 6.92 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 0.00 136 K 8.95 4.01 0.00 1.82 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.26 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 0.00 138 A 7.88 4.07 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 0.00 139 E 8.44 3.87 0.00 2.04 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 0.00 2.31 2.33 0.00 140 A 8.57 4.07 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 0.00 141 A 8.11 3.90 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.03 3.92 0.00 2.00 1.72 0.91 0.50 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 0.00 143 T 8.11 3.84 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 1.30 0.00 0.00 144 A 7.93 3.97 1.43 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 0.00 0.00 145 L 7.81 3.85 0.00 1.87 1.89 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.29 4.17 0.00 2.02 1.98 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 2.32 2.24 0.00 147 M 8.00 4.05 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.64 3.70 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 1.69 0.83 0.92 0.00 0.00 149 N 8.02 4.31 0.00 2.98 2.86 0.00 0.00 6.71 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 0.00 150 V 7.97 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 151 L 8.36 4.08 0.00 1.93 1.69 0.93 0.75 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 0.00 152 K 8.07 3.83 0.00 1.84 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.12 4.46 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 0.00 154 I 7.85 3.90 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 0.72 0.91 0.00 0.00