NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2417 8.3031 121.7825 56.2196 33.4441 176.2037 4 G 4.2156 8.6831 112.7627 45.1218 0.0000 172.9481 5 E 4.2108 8.9933 120.6368 59.2771 29.8367 177.2128 6 E 4.1137 8.1358 118.0486 58.5276 29.6725 178.0726 7 L 4.1080 7.5470 117.2453 55.4252 41.8263 177.2192 8 F 4.9438 7.6947 116.9670 57.3670 39.4345 176.5569 9 T 4.1616 8.1385 112.1125 63.2262 69.2618 173.8695 10 G 4.2989 7.5798 110.2667 43.8758 0.0000 170.9932 11 V 4.1220 8.4660 120.2166 62.6163 32.2799 176.6788 12 V 4.6241 8.7582 128.7141 60.2306 33.9679 173.0421 13 P 4.7717 0.0000 0.0000 62.9450 32.9277 175.1268 14 I 5.0719 8.8560 122.8160 59.5530 40.9443 174.4505 15 L 5.1475 8.7424 124.7196 52.9366 45.5824 175.6479 16 V 4.9766 9.1575 123.1344 61.1519 35.0088 173.9615 17 E 5.1382 9.3179 126.4949 54.5605 33.2054 174.4323 18 L 5.3349 9.2012 126.1502 53.2935 46.0573 174.6475 19 D 5.0918 9.0272 125.0785 52.4939 43.6296 175.3578 20 G 3.8460 8.5308 110.4744 43.7933 0.0000 171.6429 21 D 4.9326 8.1431 120.0300 53.2831 43.9411 173.9809 22 V 4.6812 8.8253 127.5416 61.3424 33.7602 175.0092 23 N 4.3922 10.4234 125.4473 54.5272 36.7213 175.3365 24 G 3.9434 8.1278 107.7146 45.9441 0.0000 174.5381 25 H 4.5066 8.1721 117.0672 55.2219 27.7861 174.3260 26 K 5.0359 8.4345 124.5222 56.0300 33.0808 176.4758 27 F 5.0545 8.6968 117.7741 56.1284 42.0036 173.0612 28 S 5.1746 9.2212 114.9438 56.8668 67.1962 173.3980 29 V 5.1023 8.9631 122.5020 61.3499 35.1256 174.1634 30 S 5.1570 9.3666 123.5893 56.7211 65.6785 173.2767 31 G 4.2089 9.5146 112.1535 44.3435 0.0000 171.5329 32 E 5.0459 9.2702 121.5931 53.9139 34.4498 176.4102 33 G 3.5626 7.1351 106.5470 46.3526 0.0000 171.0253 34 E 4.9327 7.9166 117.1141 54.9734 33.4546 174.7493 35 G 3.6615 8.6980 107.7324 44.3821 0.0000 171.3449 36 D 5.2961 9.3324 121.8469 51.7880 42.8491 175.7974 37 A 4.4748 9.1820 129.4694 55.2503 18.8112 179.8882 38 T 3.8055 7.9667 111.4667 66.0145 68.4762 174.4128 39 Y 4.6986 7.6165 115.4140 56.6334 39.6463 175.6045 40 G 4.5523 8.0280 107.8965 46.3032 0.0000 172.7335 41 K 4.6488 8.1365 121.0310 54.8758 33.9838 175.2745 42 L 5.0557 8.4302 126.7855 52.9658 45.4502 175.5000 43 T 4.7711 8.7344 113.7856 59.9193 71.2567 172.8824 44 L 4.9338 8.7522 125.8673 52.4447 46.6126 175.6617 45 K 4.6652 8.4469 122.6798 54.5956 35.2857 174.7441 46 F 5.2080 9.0300 126.1620 55.6968 42.0796 174.6522 47 I 5.1464 8.6781 122.6465 59.6685 41.0758 174.1163 48 C 5.0615 9.4963 128.5507 59.2338 31.1174 173.3712 49 T 4.3988 8.6805 117.8528 63.9913 68.9944 176.0253 50 T 4.3271 8.5790 110.3853 62.0842 70.8620 172.0496 51 G 4.0935 7.3468 111.5205 44.3591 0.0000 176.5188 52 K 4.5466 8.5253 124.9109 53.8452 33.4633 174.8369 53 L 3.6551 8.8290 129.2269 54.1665 42.1045 175.0670 54 P 4.3156 0.0000 0.0000 63.6590 31.8457 176.2057 55 V 4.1328 6.4510 111.2587 58.4870 35.2258 173.5420 56 P 4.4188 0.0000 0.0000 62.0049 32.2829 177.8169 57 W 4.3777 8.9999 121.4560 59.7581 28.8685 177.1419 58 P 4.5859 0.0000 0.0000 65.6006 30.6018 178.5039 59 T 4.2696 7.7839 107.8826 63.6956 69.0154 175.4984 60 L 4.3827 7.6508 120.1131 54.3081 42.2449 178.2118 61 V 3.5709 7.6283 120.8849 66.3020 31.2424 178.0863 62 T 3.9860 7.9874 107.6968 65.1328 68.6927 176.1329 63 T 4.1420 7.1505 115.7059 65.9716 69.4927 176.5808 64 F 4.8872 7.5839 119.9658 56.9529 37.7877 176.7845 *68 V 4.0989 7.3524 110.4796 61.7308 32.9782 177.5904 69 Q 3.9013 7.7038 115.9531 57.1763 28.6944 178.1972 70 C 4.1462 7.7715 112.3359 59.1837 30.3301 173.9422 71 F 4.6163 7.8702 119.2589 57.4232 38.9797 175.6462 72 S 4.7229 7.3992 117.6451 58.5509 63.7605 174.0647 73 R 4.4775 9.1017 124.6490 55.8021 30.9354 174.6929 74 Y 4.6633 8.5392 125.1251 55.5387 39.2117 174.4647 75 P 4.3960 0.0000 0.0000 62.2601 32.4053 176.7401 76 D 4.3759 8.9696 120.0758 57.9305 40.9945 178.3854 77 H 4.4480 8.3008 111.6908 57.4873 29.0009 175.4151 78 M 4.6559 7.8693 119.2907 54.9749 32.5473 177.7008 79 K 3.9926 7.7921 119.4762 59.2012 32.2224 177.9187 80 Q 4.1372 7.9476 115.4255 57.1111 28.8898 175.8531 81 H 4.6744 7.9800 114.4017 55.4145 29.4131 174.4992 82 D 3.7338 7.2939 121.2504 52.5436 39.5656 176.5535 83 F 4.0246 8.1948 128.1674 60.8432 39.3465 176.1500 84 F 3.9777 7.4017 115.6199 60.9371 38.9543 177.6134 85 K 4.0563 8.0104 117.4128 59.1536 31.6101 179.5729 86 S 4.0602 7.3083 112.5504 60.6340 63.1888 175.7022 87 A 4.0901 7.3706 123.0000 53.0165 18.4422 177.2108 88 M 4.6583 7.3530 116.7467 54.2132 33.1490 174.9339 89 P 4.6323 0.0000 0.0000 65.0082 32.1139 178.4897 90 E 3.8680 8.1667 118.6933 57.5742 29.8665 177.5912 91 G 3.8026 9.3577 106.5164 44.3359 0.0000 171.0845 92 Y 5.4158 7.7620 114.9310 55.5421 42.3711 174.1940 93 V 4.7463 9.1997 120.8742 61.5139 33.6802 174.0107 94 Q 5.2666 9.5425 130.0771 54.5769 31.2055 173.8650 95 E 5.2933 9.4898 126.0216 54.7524 33.0849 175.2722 96 R 5.2284 8.8191 121.1351 54.8128 35.3953 174.4762 97 T 4.8732 8.8315 117.9045 62.1409 71.6999 173.2709 98 I 4.2089 9.0328 129.2527 59.7684 39.1031 175.3671 99 S 4.7670 8.7344 125.2124 56.6900 64.8634 173.6441 100 F 4.7582 8.6572 125.2053 56.0133 40.0849 175.8005 101 K 4.0767 8.8153 126.1272 57.9062 32.3492 175.8835 102 D 4.5012 8.9129 124.3432 54.9562 38.9393 172.9909 103 D 4.3449 7.6705 118.5988 53.6911 43.8316 173.3521 104 G 3.0423 7.4626 107.2499 44.7120 0.0000 171.8562 105 N 5.5948 7.8284 114.9493 51.6146 41.3837 172.9642 106 Y 5.6778 9.1806 118.3246 56.5094 41.1388 174.9640 107 K 5.1932 9.5065 123.3967 55.0596 35.2230 175.3151 108 T 5.1906 8.9602 115.9492 59.9850 72.2352 173.6677 109 R 5.0439 8.7627 122.6285 55.0262 33.5757 173.5042 110 A 5.2571 9.7035 128.2273 50.1791 22.8002 174.2785 111 E 4.8828 9.2230 121.5848 54.7221 32.1076 175.3739 112 V 4.7120 8.3876 126.3126 61.1111 33.5621 174.5520 113 K 4.7515 8.4913 126.2624 55.8659 36.5718 174.5682 114 F 4.7541 8.5518 119.4152 56.9419 39.8851 176.5572 115 E 4.5836 9.6318 123.3523 54.5793 30.8802 177.0205 116 G 4.1659 8.2223 116.5114 46.2733 0.0000 172.0069 117 D 4.8067 8.8722 124.2346 54.0903 41.2506 175.3888 118 T 4.7750 7.6563 117.7775 61.7080 71.0596 173.3297 119 L 3.8850 8.5111 128.9022 54.0400 43.4636 175.3855 120 V 4.8844 8.6543 126.6152 61.0787 34.8452 173.9699 121 N 5.0048 9.0432 124.9209 52.0880 41.5990 173.0988 122 R 4.9668 8.9506 127.0746 54.9394 31.8380 175.7691 123 I 5.0566 9.1129 125.4446 59.3965 41.0428 174.7197 124 E 4.9741 9.1505 124.9897 54.5921 32.6656 174.5192 125 L 5.0470 8.7794 127.4359 52.9624 45.1612 175.0251 126 K 4.8287 9.0659 126.4958 54.7408 35.2548 174.6945 127 G 5.0586 9.8207 116.6765 44.6105 0.0000 171.8266 128 I 5.2636 8.5813 117.3034 59.2703 41.9308 174.6705 129 D 4.2978 8.7537 118.7521 55.3547 38.2281 174.1905 130 F 4.5496 8.3676 116.8569 56.7918 40.0999 175.7475 131 K 4.3860 8.7473 123.4133 55.6290 32.8606 178.2660 132 E 4.0555 8.9233 123.0780 58.7152 29.5745 177.3955 133 D 4.7206 7.9703 115.5986 52.7659 40.3195 176.5208 134 G 4.0299 7.4639 109.4291 44.4230 0.0000 174.3825 135 N 4.3388 8.5944 115.3206 56.2143 38.7132 177.5069 136 I 3.6367 7.2761 119.1046 63.9164 37.6701 178.0276 137 L 3.8817 7.6115 120.7745 56.9792 41.7824 178.3234 138 G 3.7564 7.8559 105.7249 45.0984 0.0000 173.0749 139 H 3.9019 7.3913 116.0995 57.0842 26.6069 174.9167 140 K 4.7507 8.2356 115.5163 55.5646 33.7120 177.8033 141 L 5.0541 7.6756 120.4924 53.4252 42.9953 176.4849 142 E 4.1526 9.0844 123.3174 56.3938 30.2782 177.4513 143 Y 4.5832 8.5683 125.3339 55.7264 37.3272 173.1807 144 N 5.0329 7.6081 119.1868 52.1987 40.5648 173.9352 145 Y 4.5263 8.0906 118.2691 56.6738 41.4796 174.0701 146 N 4.7048 8.1616 124.6449 52.8088 39.7163 174.9235 147 S 4.7800 8.3517 116.5772 59.2661 64.0970 172.9505 148 H 4.7946 8.4977 116.8336 55.2505 32.3150 171.5782 149 N 5.2764 8.6392 115.2795 51.3245 41.3225 174.6099 150 V 3.8105 8.0971 123.0212 61.2978 33.6256 174.0743 151 Y 4.9074 8.5239 127.2283 57.3258 39.1052 174.7202 152 I 5.0472 8.6683 125.7785 60.0504 39.9272 175.1274 153 T 4.8693 8.7618 121.2328 61.7180 73.0096 173.2203 154 A 4.4165 8.5391 125.2813 51.7192 20.3313 177.1525 155 D 4.5418 8.6555 119.3218 52.2462 42.4676 176.3193 156 K 4.0638 8.5533 125.6503 58.9948 32.6695 179.8661 157 Q 4.0133 8.1772 116.9982 58.1341 28.7015 177.1046 158 K 4.3821 7.8911 113.6785 55.2289 32.7912 175.1993 159 N 4.3103 7.9166 116.2928 54.4320 38.7332 173.9578 160 G 3.6725 7.9575 106.8249 44.6609 0.0000 172.1946 161 I 4.9465 7.8931 116.2867 58.9535 41.7463 174.9284 162 K 5.0949 8.9977 121.0060 54.7680 36.1843 175.4030 163 A 5.2075 8.5162 123.1439 50.7863 23.1346 174.8155 164 N 5.7134 9.3707 119.9369 52.0527 42.6950 173.1431 165 F 5.1865 8.7371 118.5913 56.1624 41.8761 172.7283 166 K 4.8233 8.9174 119.2872 54.7955 34.3217 175.5215 167 I 4.2266 8.5728 126.2550 59.7458 39.4569 175.1018 168 R 4.6522 8.2878 125.5524 54.8371 31.4895 174.9726 169 H 4.6753 9.0103 122.5434 54.9508 30.7464 174.5894 170 N 5.1191 8.7243 120.0947 52.8742 39.9951 174.5331 171 I 4.7366 8.6245 125.1419 59.8769 38.8722 176.9609 172 E 3.9879 9.2756 123.7823 59.3055 29.3416 178.3127 173 D 4.6409 7.9962 116.3570 53.3920 39.9520 176.9442 174 G 3.9408 8.2314 108.7585 45.2004 0.0000 173.7190 175 S 4.5836 8.2323 114.9562 57.4150 64.9998 172.1479 176 V 4.8063 8.1898 119.1517 61.1423 34.0699 174.7651 177 Q 4.5599 9.2229 129.7808 54.3163 30.5972 174.1298 178 L 4.6457 8.5151 129.2339 54.8779 43.9201 175.4993 179 A 4.5452 8.9609 127.1622 49.9200 21.4219 173.9933 180 D 4.7218 8.7723 121.7528 55.0517 43.0288 174.6076 181 H 5.0615 9.0963 123.1215 53.9616 31.6218 172.4339 182 Y 5.1144 8.6099 124.2226 55.7536 41.5320 173.9318 183 Q 5.0818 8.6363 127.5839 54.3285 32.9982 173.8544 184 Q 4.8780 9.1876 123.9972 54.1805 32.9260 173.8300 185 N 5.7536 8.9038 121.2000 51.5917 42.1563 173.6108 186 T 5.1127 8.8565 113.4889 58.9178 72.2410 171.7616 187 P 4.9875 0.0000 0.0000 63.4179 31.6889 176.3712 188 I 4.0217 8.9197 123.7934 63.9227 37.7440 177.0776 189 G 3.9201 8.0362 109.1864 44.8362 0.0000 172.6326 190 D 4.6330 8.4521 117.3290 53.8148 41.4431 176.5867 191 G 3.8632 7.6993 106.9029 44.8389 0.0000 171.6641 192 P 4.3940 0.0000 0.0000 62.5707 31.8820 176.2306 193 V 4.4172 8.0611 113.8325 59.3397 35.0677 174.9331 194 L 4.3029 8.2484 122.1566 53.6895 41.9053 176.8338 195 L 4.4008 8.3712 125.0590 52.6078 41.7786 174.9620 196 P 4.6809 0.0000 0.0000 62.1079 32.4454 175.4006 197 D 4.7663 8.2941 119.1702 52.9353 42.1712 176.0554 198 N 4.9316 8.4852 118.4422 54.1673 39.1501 174.5520 199 H 5.0658 8.7017 118.5044 55.2156 32.4774 171.4878 200 Y 5.2048 8.5392 114.8737 55.5977 41.9730 174.1635 201 L 4.7240 8.5612 121.0571 52.9440 44.2751 175.9564 202 S 4.7876 9.3641 121.1134 58.3960 63.2096 172.8445 203 T 5.1313 8.7750 125.1003 62.0661 71.1532 173.8558 204 Q 4.8946 8.8142 125.2944 54.9049 32.8626 173.6809 205 S 5.1929 8.9483 120.8395 56.8265 67.3609 173.0106 206 A 4.7447 9.3179 125.9361 50.1783 21.3387 174.8233 207 L 5.1212 8.4853 122.9295 53.3423 43.8046 176.0419 208 S 4.9211 8.9721 116.8298 57.2678 67.2272 172.4812 209 K 4.8357 8.6280 118.0825 54.5811 35.5803 175.8053 210 D 4.6960 8.8422 122.5975 52.0145 41.5538 175.5409 211 P 4.3441 0.0000 0.0000 65.2938 31.3554 176.8783 212 N 4.5428 8.0438 114.7672 53.6695 39.0994 174.5342 213 E 4.2318 7.7430 119.9165 55.1582 30.1618 175.9563 214 K 4.3687 8.4591 124.4297 56.6613 33.3428 176.8903 215 R 4.3158 7.7402 117.8473 54.9495 31.1304 175.5800 216 D 4.7564 8.6401 120.2974 55.1136 42.2085 174.7970 217 H 5.0219 8.4934 120.5393 54.9781 32.5313 171.9168 218 M 4.5475 8.0195 115.8459 55.1402 36.0423 173.3389 219 V 4.7000 8.5190 126.2024 61.0220 34.1766 173.9682 220 L 5.2373 9.1633 129.5280 53.0982 45.7217 174.6321 221 L 5.0858 8.7307 126.5873 53.2442 44.9256 174.9425 222 A 5.1502 8.7431 127.3167 50.1373 23.2819 174.4762 223 F 5.2531 9.1508 118.0913 55.7400 43.0426 174.2790 224 V 4.9340 8.9179 123.2432 61.4282 34.6282 174.2980 225 T 5.0739 8.7268 123.3608 61.6486 72.4362 172.9698 226 A 4.4289 8.6439 127.8816 51.5356 19.9152 176.3653 227 A 4.0601 8.2968 122.0150 51.0089 23.0375 176.9879 228 G 4.1055 9.1242 105.5822 45.3263 0.0000 173.6165 229 I 4.4461 7.0508 119.5562 60.7904 40.1618 175.5500 230 T 3.8431 8.7438 120.1566 64.2123 68.5505 172.0046 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 3 K 8.30 4.24 0.00 1.71 1.91 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.37 7.81 4 G 8.68 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 5 E 8.99 4.21 0.00 2.22 2.20 0.00 0.00 0.00 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 2.41 0.00 6 E 8.14 4.11 0.00 1.91 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 2.29 2.45 0.00 7 L 7.55 4.11 0.00 1.27 0.93 0.31 0.80 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 8 F 7.69 4.94 0.00 3.15 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 9 T 8.14 4.16 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 1.29 0.00 0.00 10 G 7.58 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.47 4.12 2.12 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 0.82 0.00 0.00 1.05 0.00 0.00 12 V 8.76 4.62 2.57 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 1.22 0.00 0.00 1.09 0.00 0.00 13 P 0.00 4.77 0.00 2.13 2.14 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.01 0.00 14 I 8.86 5.07 1.71 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.92 0.96 0.00 0.00 15 L 8.74 5.15 0.00 1.52 1.49 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.16 4.98 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 1.19 0.00 0.00 1.07 0.00 0.00 17 E 9.32 5.14 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 18 L 9.20 5.33 0.00 1.89 1.69 0.92 1.17 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 19 D 9.03 5.09 0.00 2.55 2.41 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 20 G 8.53 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 0.00 0.00 0.00 21 D 8.14 4.93 0.00 2.62 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.83 4.68 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 0.61 0.00 0.00 0.97 0.00 0.00 23 N 10.42 4.39 0.00 2.95 2.91 0.00 0.00 7.32 8.39 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 24 G 8.13 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 0.00 0.00 0.00 25 H 8.17 4.51 0.00 3.34 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.43 5.04 0.00 1.67 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.62 7.81 27 F 8.70 5.05 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 28 S 9.22 5.17 0.00 3.81 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 29 V 8.96 5.10 2.45 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 1.42 0.00 0.00 1.35 0.00 0.00 30 S 9.37 5.16 0.00 3.81 3.73 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 31 G 9.51 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.27 5.05 0.00 1.71 1.65 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 2.12 2.13 0.00 33 G 7.14 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 34 E 7.92 4.93 0.00 1.90 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 2.08 2.17 0.00 35 G 8.70 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.33 5.30 0.00 2.77 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 37 A 9.18 4.47 1.45 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 38 T 7.97 3.81 3.39 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 0.84 0.00 0.00 39 Y 7.62 4.70 0.00 3.10 3.07 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 0.00 0.00 0.00 0.00 40 G 8.03 4.55 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 0.00 0.00 0.00 41 K 8.14 4.65 0.00 2.09 1.79 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 0.94 7.81 42 L 8.43 5.06 0.00 1.41 1.35 0.93 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.73 4.77 4.12 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 0.00 0.00 1.09 0.00 0.00 44 L 8.75 4.93 0.00 1.35 0.72 1.04 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.45 4.67 0.00 1.55 1.36 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.14 1.25 7.81 46 F 9.03 5.21 0.00 2.69 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 47 I 8.68 5.15 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.71 0.98 0.00 0.00 48 C 9.50 5.06 0.00 3.25 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 49 T 8.68 4.40 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 1.27 0.00 0.00 50 T 8.58 4.33 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 1.28 0.00 0.00 51 G 7.35 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.53 4.55 0.00 1.70 1.65 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.39 7.81 53 L 8.83 3.66 0.00 1.13 0.95 0.20 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.32 0.00 1.92 1.89 0.00 2.71 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.71 0.00 55 V 6.45 4.13 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 0.40 0.00 0.00 0.36 0.00 0.00 56 P 0.00 4.42 0.00 2.15 2.00 0.00 3.36 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 57 W 9.00 4.38 0.00 3.73 3.47 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 58 P 0.00 4.59 0.00 2.33 2.56 0.00 3.77 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 59 T 7.78 4.27 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 1.07 0.00 0.00 60 L 7.65 4.38 0.00 1.41 0.55 0.66 0.23 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 61 V 7.63 3.57 1.63 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 0.54 0.00 0.00 0.89 0.00 0.00 62 T 7.99 3.99 4.55 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 1.55 0.00 0.00 63 T 7.15 4.14 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 1.16 0.00 0.00 64 F 7.58 4.89 0.00 2.98 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 *68 V 7.35 4.10 2.49 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 0.88 0.00 0.00 1.10 0.00 0.00 69 Q 7.70 3.90 0.00 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 70 C 7.77 4.15 0.00 2.40 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 71 F 7.87 4.62 0.00 3.30 3.14 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 0.00 0.00 0.00 0.00 72 S 7.40 4.72 0.00 3.93 3.79 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 73 R 9.10 4.48 0.00 2.00 1.83 0.00 3.15 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 74 Y 8.54 4.66 0.00 2.81 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 75 P 0.00 4.40 0.00 2.04 1.99 0.00 3.46 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 2.09 2.02 0.00 76 D 8.97 4.38 0.00 2.77 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 77 H 8.30 4.45 0.00 3.33 3.41 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 7.87 4.66 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 79 K 7.79 3.99 0.00 1.85 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 80 Q 7.95 4.14 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.10 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 81 H 7.98 4.67 0.00 3.32 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.29 3.73 0.00 1.76 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.19 4.02 0.00 3.03 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.40 3.98 0.00 3.06 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 85 K 8.01 4.06 0.00 1.62 1.75 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.88 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 1.03 7.81 86 S 7.31 4.06 0.00 4.05 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 87 A 7.37 4.09 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 88 M 7.35 4.66 0.00 2.36 2.48 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.20 2.90 0.00 89 P 0.00 4.63 0.00 2.20 2.10 0.00 3.67 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 1.90 0.00 90 E 8.17 3.87 0.00 2.12 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 2.33 2.38 0.00 91 G 9.36 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.76 5.42 0.00 3.38 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.20 4.75 2.20 0.00 0.00 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 1.01 0.00 0.00 94 Q 9.54 5.27 0.00 2.57 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 95 E 9.49 5.29 0.00 1.92 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 2.26 2.31 0.00 96 R 8.82 5.23 0.00 1.79 1.76 0.00 3.19 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 97 T 8.83 4.87 4.34 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 1.21 0.00 0.00 98 I 9.03 4.21 1.82 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.67 0.13 0.00 0.00 99 S 8.73 4.77 0.00 3.56 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.66 4.76 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.82 4.08 0.00 1.69 1.74 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.40 7.81 102 D 8.91 4.50 0.00 2.86 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 0.00 103 D 7.67 4.34 0.00 2.79 2.45 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 0.00 104 G 7.46 3.04 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 0.00 0.00 0.00 105 N 7.83 5.59 0.00 2.91 2.78 0.00 0.00 7.28 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 0.00 106 Y 9.18 5.68 0.00 2.96 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 0.00 107 K 9.51 5.19 0.00 1.82 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 108 T 8.96 5.19 4.28 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 1.24 0.00 0.00 109 R 8.76 5.04 0.00 1.91 1.79 0.00 3.06 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 110 A 9.70 5.26 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 0.00 111 E 9.22 4.88 0.00 1.91 1.87 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 2.25 2.25 0.00 112 V 8.39 4.71 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 113 K 8.49 4.75 0.00 2.03 1.93 0.00 1.36 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.41 7.81 114 F 8.55 4.75 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.63 4.58 0.00 1.90 1.86 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 2.21 2.36 0.00 116 G 8.22 4.17 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 0.00 0.00 0.00 117 D 8.87 4.81 0.00 2.71 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 0.00 118 T 7.66 4.78 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 1.24 0.00 0.00 119 L 8.51 3.89 0.00 1.16 1.50 0.98 -0.04 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 0.00 120 V 8.65 4.88 2.13 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 0.87 0.00 0.00 0.90 0.00 0.00 121 N 9.04 5.00 0.00 2.90 2.73 0.00 0.00 7.07 7.27 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 0.00 122 R 8.95 4.97 0.00 1.81 1.87 0.00 3.12 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 123 I 9.11 5.06 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.98 0.00 0.00 124 E 9.15 4.97 0.00 1.86 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 2.17 2.20 0.00 125 L 8.78 5.05 0.00 1.53 1.23 0.50 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.07 4.83 0.00 1.89 1.65 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.47 7.81 127 G 9.82 5.06 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 0.00 128 I 8.58 5.26 1.93 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 1.31 0.82 0.99 0.00 0.00 129 D 8.75 4.30 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 0.00 130 F 8.37 4.55 0.00 3.22 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 0.00 131 K 8.75 4.39 0.00 1.84 1.93 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.45 7.81 132 E 8.92 4.06 0.00 1.95 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 0.00 2.34 2.40 0.00 133 D 7.97 4.72 0.00 2.77 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 0.00 134 G 7.46 4.03 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 0.00 0.00 0.00 135 N 8.59 4.34 0.00 2.86 2.86 0.00 0.00 6.87 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 0.00 136 I 7.28 3.64 1.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.50 0.25 0.00 0.00 137 L 7.61 3.88 0.00 1.77 1.68 1.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.86 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 0.00 139 H 7.39 3.90 0.00 3.26 3.31 0.00 5.64 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 0.00 140 K 8.24 4.75 0.00 1.80 1.82 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 141 L 7.68 5.05 0.00 1.57 1.64 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 142 E 9.08 4.15 0.00 1.89 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 2.41 2.31 0.00 143 Y 8.57 4.58 0.00 3.07 2.95 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 0.00 144 N 7.61 5.03 0.00 2.85 2.80 0.00 0.00 6.07 7.55 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 0.00 145 Y 8.09 4.53 0.00 2.89 3.07 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 0.00 0.00 0.00 0.00 146 N 8.16 4.70 0.00 2.61 2.69 0.00 0.00 7.18 7.57 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 0.00 147 S 8.35 4.78 0.00 3.78 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 0.00 148 H 8.50 4.79 0.00 3.20 3.37 0.00 5.20 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.64 5.28 0.00 2.10 1.89 0.00 0.00 6.66 7.68 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 0.00 150 V 8.10 3.81 1.75 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 0.77 0.00 0.00 -0.08 0.00 0.00 151 Y 8.52 4.91 0.00 3.18 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.67 5.05 1.65 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.92 0.00 0.00 153 T 8.76 4.87 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 1.27 0.00 0.00 154 A 8.54 4.42 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 0.00 155 D 8.66 4.54 0.00 2.65 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 0.00 156 K 8.55 4.06 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.45 7.81 157 Q 8.18 4.01 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 158 K 7.89 4.38 0.00 1.85 1.80 0.00 2.14 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 159 N 7.92 4.31 0.00 2.80 2.92 0.00 0.00 6.79 8.87 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 0.00 160 G 7.96 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.89 4.95 1.65 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.40 0.34 0.00 0.00 162 K 9.00 5.09 0.00 1.59 1.65 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.28 1.29 7.81 163 A 8.52 5.21 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 0.00 164 N 9.37 5.71 0.00 3.00 2.77 0.00 0.00 6.59 7.06 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 0.00 165 F 8.74 5.19 0.00 3.27 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 0.00 166 K 8.92 4.82 0.00 1.67 1.74 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 167 I 8.57 4.23 1.82 0.00 0.00 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 1.01 0.98 0.47 0.00 0.00 168 R 8.29 4.65 0.00 1.58 1.83 0.00 3.17 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 169 H 9.01 4.68 0.00 3.28 3.25 0.00 5.61 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 0.00 170 N 8.72 5.12 0.00 2.69 2.85 0.00 0.00 7.10 7.39 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 0.00 171 I 8.62 4.74 2.04 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 1.32 0.98 0.98 0.00 0.00 172 E 9.28 3.99 0.00 2.14 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 0.00 2.42 2.28 0.00 173 D 8.00 4.64 0.00 2.80 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 0.00 174 G 8.23 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 0.00 0.00 0.00 175 S 8.23 4.58 0.00 3.96 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 0.00 176 V 8.19 4.81 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 0.84 0.00 0.00 0.93 0.00 0.00 177 Q 9.22 4.56 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 178 L 8.52 4.65 0.00 1.81 1.50 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.96 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 8.77 4.72 0.00 2.64 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 0.00 0.00 0.00 0.00 181 H 9.10 5.06 0.00 1.62 2.31 0.00 5.80 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 0.00 182 Y 8.61 5.11 0.00 3.04 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 0.00 183 Q 8.64 5.08 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 184 Q 9.19 4.88 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 185 N 8.90 5.75 0.00 2.29 2.70 0.00 0.00 6.10 6.33 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 0.00 186 T 8.86 5.11 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 1.25 0.00 0.00 187 P 0.00 4.99 0.00 2.35 2.24 0.00 3.90 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 188 I 8.92 4.02 2.07 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 1.22 0.63 0.94 0.00 0.00 189 G 8.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.45 4.63 0.00 2.64 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 0.00 191 G 7.70 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 0.00 0.00 0.00 192 P 0.00 4.39 0.00 2.18 2.07 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 193 V 8.06 4.42 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 0.71 0.00 0.00 1.14 0.00 0.00 194 L 8.25 4.30 0.00 1.70 1.69 0.90 0.72 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 0.00 195 L 8.37 4.40 0.00 1.63 1.62 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.68 0.00 2.31 2.35 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 197 D 8.29 4.77 0.00 2.58 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 8.49 4.93 0.00 2.65 2.86 0.00 0.00 6.68 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 0.00 199 H 8.70 5.07 0.00 3.23 3.34 0.00 5.21 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.54 5.20 0.00 2.60 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 0.00 201 L 8.56 4.72 0.00 1.40 1.47 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.36 4.79 0.00 3.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 T 8.78 5.13 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 1.21 0.00 0.00 204 Q 8.81 4.89 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 205 S 8.95 5.19 0.00 3.79 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 0.00 206 A 9.32 4.74 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 0.00 207 L 8.49 5.12 0.00 0.88 0.81 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 208 S 8.97 4.92 0.00 3.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 8.63 4.84 0.00 1.63 1.72 0.00 1.36 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.24 1.18 7.81 210 D 8.84 4.70 0.00 2.68 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 P 0.00 4.34 0.00 2.21 2.18 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 212 N 8.04 4.54 0.00 2.87 2.87 0.00 0.00 6.90 7.52 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 0.00 213 E 7.74 4.23 0.00 1.75 1.61 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 1.93 2.22 0.00 214 K 8.46 4.37 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.42 7.81 215 R 7.74 4.32 0.00 1.97 1.92 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 216 D 8.64 4.76 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 0.00 217 H 8.49 5.02 0.00 3.12 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 8.02 4.55 0.00 1.55 1.10 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 219 V 8.52 4.70 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 0.82 0.00 0.00 0.91 0.00 0.00 220 L 9.16 5.24 0.00 1.73 1.55 0.96 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.73 5.09 0.00 1.71 1.42 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 222 A 8.74 5.15 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 223 F 9.15 5.25 0.00 3.05 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 0.00 224 V 8.92 4.93 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 0.91 0.00 0.00 0.92 0.00 0.00 225 T 8.73 5.07 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 1.18 0.00 0.00 226 A 8.64 4.43 0.19 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 0.00 227 A 8.30 4.06 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 0.00 228 G 9.12 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 0.00 229 I 7.05 4.45 1.82 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.69 0.93 0.00 0.00 230 T 8.74 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.