NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 D 4.5850 8.2233 120.1891 53.2483 41.3761 175.8419 -1 P 4.2508 0.0000 0.0000 64.2498 31.3266 176.9273 0 M 4.0005 8.6007 118.2183 58.4968 32.5119 177.8947 1 V 3.6182 7.8548 117.9169 66.1804 31.4780 177.6915 2 S 4.2342 8.4867 113.2156 61.7267 62.1599 174.7029 3 K 4.2996 8.2586 123.2065 56.7909 31.4687 178.5947 4 G 3.9658 7.5512 104.1878 48.4122 0.0000 174.7899 5 E 4.1033 8.0398 122.2239 58.4492 29.3517 178.3707 6 E 4.1210 8.2616 120.2008 57.8777 29.7747 177.9384 7 L 4.0462 7.5644 117.5296 55.7767 41.7716 177.2986 8 F 4.9393 7.4170 114.8986 57.1744 39.8876 176.3858 9 T 4.0958 8.2656 112.9803 63.5273 69.1349 173.8434 10 G 4.4648 7.6113 110.7882 43.7253 0.0000 171.5258 11 V 4.1160 8.4474 120.1863 62.8705 32.3483 176.8561 12 V 4.6679 8.9705 128.4929 60.2021 34.1833 173.0040 13 P 4.8207 0.0000 0.0000 62.9952 32.9056 175.0978 14 I 5.1393 8.7382 122.7019 59.4695 40.9028 174.1423 15 L 5.1484 8.8500 127.2868 53.2239 45.3307 175.1758 16 V 5.0206 8.9269 125.5571 61.2235 35.1561 174.0201 17 E 5.1443 9.3166 125.9626 54.6635 33.5480 174.0956 18 L 5.2837 9.4170 126.9380 53.2941 45.4819 174.5246 19 D 5.1748 8.9461 125.7435 52.4967 43.4467 175.6016 20 G 3.8598 8.4128 109.8457 43.8561 0.0000 171.4073 21 D 4.9685 8.0420 120.3429 52.9943 44.4342 173.8708 22 V 4.7750 9.0328 127.1741 61.4761 34.0362 175.4523 23 N 4.2959 10.0386 127.4200 54.4561 36.6190 175.7139 24 G 3.8294 8.3719 104.1331 45.9657 0.0000 173.9024 25 H 4.5148 8.2803 118.5973 55.0440 28.3016 174.4472 26 K 4.9133 8.4865 124.7975 55.8826 33.1076 176.4554 27 F 5.0459 8.5084 117.8278 56.0258 41.7740 173.1069 28 S 5.2448 9.1411 114.8313 56.9090 67.3361 173.4086 29 V 5.0773 8.9248 121.3603 61.5354 35.1501 174.2841 30 S 5.3474 9.2687 123.0489 56.8358 66.1222 173.3645 31 G 4.1685 9.3264 109.4041 44.5771 0.0000 171.2957 32 E 5.0378 8.6258 120.3758 53.9552 34.0955 175.6559 33 G 4.0855 8.0416 110.1560 46.0476 0.0000 171.7107 34 E 4.9931 8.1429 119.6694 55.1742 33.4723 175.0342 35 G 3.5187 8.7392 107.9431 44.3806 0.0000 171.3472 36 D 4.9887 9.1444 122.3051 51.6473 41.4650 175.6464 37 A 4.4771 8.9361 126.7602 54.8603 19.0922 180.2318 38 T 3.7170 8.0917 111.7030 66.1839 68.4437 174.4067 39 Y 4.4888 7.8089 115.8747 57.0227 38.8736 176.0221 40 G 4.1157 8.2351 108.3656 46.0398 0.0000 172.6239 41 K 4.6702 7.9988 120.5210 54.2259 34.5487 174.8905 42 L 5.0442 8.4325 126.3636 53.1768 45.8873 175.7073 43 T 4.8678 8.5850 118.5626 61.9345 72.1811 173.0377 44 L 4.9371 8.9145 125.6453 52.7020 46.9371 175.3422 45 K 4.6663 8.3248 122.1668 54.6198 35.1873 174.7473 46 F 5.2185 8.8762 126.2411 55.6901 42.0023 174.6377 47 I 5.0722 9.0046 123.1522 59.5527 40.6353 174.2421 48 C 5.0027 9.6702 128.8261 59.6072 31.6861 173.1325 49 T 4.6138 9.0044 116.5627 61.8325 69.0521 175.3551 50 T 4.5472 7.8888 110.7919 61.3492 70.5657 173.6801 51 G 4.1435 7.7635 107.8473 44.6962 0.0000 176.6069 52 K 4.3379 8.6110 125.7367 54.7590 32.5612 175.6432 53 L 3.7306 9.1893 129.0935 54.3189 42.3183 175.3283 54 P 4.4089 0.0000 0.0000 63.0165 31.8065 175.5670 55 V 4.1411 6.2085 111.1423 58.5130 35.6416 173.4431 56 P 4.4319 0.0000 0.0000 62.1248 31.9057 178.0108 57 W 4.3426 9.0978 122.5961 59.6249 28.8979 176.9506 58 P 4.5287 0.0000 0.0000 65.5846 30.5832 178.0950 59 T 4.3055 8.0372 107.0005 63.3182 69.1236 175.4704 60 L 4.3227 8.0502 121.5407 54.6684 42.0161 178.2698 61 V 3.5887 7.4687 119.3616 66.3487 31.5627 177.7354 62 T 4.0307 7.9279 107.4275 64.9591 68.7366 176.2147 63 T 4.0870 7.6840 117.6067 66.0009 69.8266 176.2770 64 F 4.7513 7.5503 119.6771 56.6692 36.9365 176.5891 *68 L 4.3722 7.3752 119.4377 55.2803 43.2577 178.8811 69 M 4.0274 7.6896 118.8423 57.3643 32.5798 178.8515 70 C 4.0695 7.5724 111.8698 60.0981 29.8276 174.2953 71 F 4.4970 8.2525 118.9280 57.1174 38.7992 175.3089 72 A 4.2831 7.5819 123.2968 52.2292 19.1891 177.8381 73 R 4.4123 8.8917 121.9616 55.4900 31.2848 174.8603 74 Y 4.5064 8.5740 125.1149 55.9101 39.0404 174.3653 75 P 4.3622 0.0000 0.0000 62.3375 32.3597 176.6371 76 D 4.4265 8.9296 120.5627 57.8936 41.0471 178.1557 77 H 4.4958 8.2413 111.6473 57.3371 28.9236 175.3749 78 M 4.6899 8.2297 119.8424 55.0451 32.5839 177.7020 79 K 3.9170 7.9750 121.1888 59.5562 32.2422 178.8072 80 Q 4.0883 8.0453 115.1740 57.6915 28.5189 176.1674 81 H 4.6632 8.0582 114.3786 55.4840 29.6299 174.8308 82 D 3.6660 7.0813 122.2283 52.2623 39.6780 176.3922 83 F 4.2589 7.9309 127.7757 60.0490 39.3854 176.2098 84 F 3.8792 7.4771 115.9334 60.6004 39.1923 177.4784 85 K 4.0902 8.1679 117.8764 58.9227 31.5720 179.5695 86 S 4.1073 7.1654 112.7918 60.8062 63.3020 175.6575 87 A 4.0747 7.4879 122.6513 52.6601 18.2325 177.0433 88 M 4.7271 7.2887 117.3385 53.8978 33.2365 174.7564 89 P 4.8614 0.0000 0.0000 63.7944 32.3187 177.9412 90 E 3.9157 8.0786 118.7683 58.0504 29.9251 175.8957 91 G 3.7678 9.2742 104.4305 44.0389 0.0000 171.3788 92 Y 5.3537 7.7911 114.9065 55.4989 42.2164 174.1810 93 V 4.7178 9.1532 121.3441 62.0478 33.4241 174.3196 94 Q 5.2662 9.4634 129.7362 54.6642 31.1968 173.8159 95 E 5.3393 9.4019 126.5078 54.8604 33.1231 175.5162 96 R 5.7901 8.8973 120.2017 54.3310 35.4012 174.0045 97 T 4.8969 8.4799 116.9853 61.7761 72.0768 173.0782 98 I 4.3850 8.6618 126.7162 59.5104 39.9364 174.6920 99 F 4.6829 8.9388 127.8122 55.8446 40.4987 175.5638 100 F 4.7798 8.8567 124.4917 56.2887 39.7018 175.6632 101 K 4.0098 8.8133 126.2376 58.1013 32.3959 175.7774 102 D 4.5024 8.8807 123.4307 54.8755 38.8198 172.9694 103 D 4.3530 8.0077 118.0536 53.6869 43.7809 173.7008 104 G 3.0564 7.5502 105.3022 45.3745 0.0000 172.1472 105 N 5.7131 8.2903 115.5797 51.3753 41.1653 173.0867 106 Y 5.6237 8.8864 118.0412 56.7030 40.8040 174.7535 107 K 5.1611 9.5117 122.5335 54.7923 35.4787 175.3119 108 T 5.1095 9.2242 114.8823 59.8306 72.3985 172.8182 109 R 5.0981 9.0129 123.2828 54.6645 33.3352 173.7313 110 A 5.3596 9.2859 127.4777 50.1813 23.1040 174.2244 111 E 5.0236 9.0211 119.7719 54.5076 32.7085 175.2391 112 V 4.8241 8.4745 125.5282 61.2467 33.5604 174.4387 113 K 4.6687 8.4276 125.7818 55.8645 36.3138 174.5977 114 F 4.6779 8.5698 120.3975 57.3420 39.9602 175.8241 115 E 4.5142 9.4791 123.7539 55.0088 30.8136 176.7355 116 G 3.8065 8.2549 116.7988 47.0671 0.0000 173.6478 117 D 4.5777 8.8620 123.3667 55.4432 41.4286 175.7580 118 T 4.7595 7.8799 117.6174 61.8559 70.7421 173.5004 119 L 4.0689 8.8881 129.3368 54.1031 43.5602 175.2865 120 V 4.7580 8.6744 126.8433 61.1736 34.4383 173.9692 121 N 5.3011 9.2391 126.1383 52.0608 41.1162 172.5346 122 R 5.0431 8.8121 125.9682 54.6566 32.1488 175.7336 123 I 5.1528 9.1513 124.9116 59.4293 41.4705 174.3451 124 E 5.1308 9.1686 124.5073 54.4520 32.8636 174.7510 125 L 5.1272 8.7978 125.8653 53.0892 45.6878 175.1096 126 K 5.0223 9.1589 124.7979 54.5496 35.7339 175.3866 127 G 5.0189 9.5816 112.2545 44.5416 0.0000 171.8323 128 I 5.0487 8.6207 115.1390 59.5331 41.7042 174.7638 129 D 4.6118 8.8048 120.2279 55.5076 37.9199 174.3210 130 F 4.4086 8.4140 117.0149 56.7816 40.0058 175.5809 131 K 4.3938 9.3023 124.0505 55.3697 32.8144 178.0240 132 E 4.0090 9.0459 123.8055 58.9668 29.5041 177.6717 133 D 4.8589 8.0232 115.1417 52.8280 40.0011 176.3219 134 G 3.9923 7.7233 110.5559 45.0165 0.0000 174.6402 135 N 4.4138 8.0254 112.4651 55.8558 39.0098 177.9085 136 I 3.6460 7.6234 118.8966 63.7376 37.6617 177.9743 137 L 3.9295 7.6632 118.1035 56.7685 41.7777 178.4340 138 G 3.6026 7.9569 106.3369 46.1955 0.0000 173.0241 139 H 3.8943 7.3506 116.2513 57.2367 26.2187 174.6751 140 K 4.5714 8.4428 114.0754 56.1143 33.4970 177.8818 141 L 4.7030 7.6780 120.2982 53.1402 43.1963 176.4493 142 E 4.1374 8.7107 122.5925 56.5166 30.2812 177.4726 143 Y 4.5318 8.6162 124.9908 55.6277 37.2443 173.3458 144 N 4.7391 7.6744 119.7079 52.4014 40.3613 173.8232 145 Y 4.4491 8.1204 117.4420 56.6364 41.6162 173.5752 146 N 4.8418 8.0884 123.9383 52.0901 40.2866 174.9803 147 S 4.7264 8.2330 116.2164 59.2639 63.9444 173.5476 148 H 4.9704 9.0811 118.9199 54.5639 33.4240 172.0801 149 N 5.2086 8.6965 119.0539 51.7656 40.5318 174.4129 150 V 3.8867 8.2379 122.8697 61.1380 33.8369 173.8436 151 Y 4.9418 8.2297 124.9267 56.8540 39.3249 174.6640 152 I 4.7071 8.9777 127.3317 60.3823 38.8750 175.2235 153 M 5.3930 9.2899 123.8614 52.0011 34.6545 175.0064 154 A 4.3289 8.5699 121.6751 52.1552 19.8545 177.1269 155 D 4.6809 8.7965 120.1339 51.7551 41.1946 176.3183 156 K 3.9478 8.3924 122.6986 59.1017 32.6991 179.5878 157 Q 4.0393 8.0917 116.2126 58.2082 28.7433 177.0364 158 K 4.3231 7.8593 114.3954 55.2668 32.5444 175.4169 159 N 4.2867 7.9632 116.2346 53.9895 38.4814 173.8198 160 G 3.7020 7.7239 104.9492 44.8893 0.0000 172.4022 161 I 5.0439 7.7386 114.0963 59.0316 41.5639 174.9273 162 K 5.1469 9.1494 121.7025 54.8525 36.3447 175.5283 163 V 5.0418 8.7162 121.1610 60.9163 35.0231 173.3472 164 N 5.4416 8.9472 125.0559 51.5470 42.7846 172.7038 165 F 4.8067 7.2963 118.7306 56.7842 41.7330 172.4197 166 K 4.9028 8.8675 118.9238 54.7821 34.4479 175.7526 167 I 4.0415 8.4784 126.1846 60.0485 39.2423 175.0202 168 R 4.7747 8.5230 124.7336 54.8292 32.2856 175.0068 169 H 4.6867 8.9514 122.8062 54.2223 30.4026 174.9040 170 N 4.8027 8.8163 121.4647 53.4323 39.8198 174.1937 171 I 5.0080 8.5042 122.8788 58.5521 41.0801 176.3254 172 E 4.6458 8.5763 122.8925 56.3067 29.1044 177.1391 173 D 4.6366 8.1205 114.2616 53.9826 41.7119 175.6721 174 G 3.9677 8.4944 109.0232 45.4421 0.0000 173.9809 175 S 4.5983 8.5742 115.2829 57.7726 64.2788 172.7909 176 V 4.9651 8.1583 114.0039 59.4556 35.3359 175.2855 177 Q 4.5547 9.2131 124.3012 54.6461 30.4792 174.6846 178 L 4.7461 8.5696 126.8903 54.4449 43.6475 176.0303 179 A 4.5661 9.0585 124.6033 50.1779 21.9088 174.7598 180 D 4.8073 8.9766 123.5174 54.4389 42.5863 175.6349 181 H 5.0130 8.7175 122.0304 54.1841 31.0775 173.6708 182 Y 4.7871 9.0105 120.9134 56.1480 40.8284 174.5123 183 Q 5.3208 9.3049 125.5192 54.3645 32.9860 173.7856 184 Q 5.0232 9.2206 124.9996 54.5309 33.1317 173.2947 185 N 5.9200 9.1824 122.7733 51.8418 42.5152 173.5305 186 T 5.1734 9.0403 112.0707 59.2912 72.6235 171.5927 187 P 4.9263 0.0000 0.0000 63.5995 31.7054 176.0948 188 I 4.0899 8.7991 123.0558 63.6414 38.1579 176.8269 189 G 3.9150 7.9784 109.4227 44.9602 0.0000 172.3512 190 D 4.6969 8.4405 116.3755 53.7356 41.5734 176.1737 191 G 3.9494 7.6501 107.0309 44.5675 0.0000 171.4963 192 P 4.4211 0.0000 0.0000 62.5392 31.7424 176.5427 193 V 4.4731 7.9275 113.9456 59.4819 35.5013 174.8358 194 L 4.3768 8.5663 121.7627 53.6373 42.1508 176.1351 195 L 4.6117 8.3876 124.5446 52.4394 42.6058 174.8662 196 P 4.7058 0.0000 0.0000 61.6458 32.7696 175.3626 197 D 4.6905 8.5583 118.4160 53.5240 41.4629 176.2859 198 N 5.2050 8.8271 118.4989 54.1232 39.8325 173.9263 199 H 4.9327 8.4741 117.2630 55.2264 32.1771 171.2485 200 Y 5.2310 8.4299 115.6587 55.3412 41.8152 174.1024 201 L 4.9515 8.9458 120.0650 53.2348 44.5620 175.7430 202 S 5.0291 9.1203 119.8827 57.2814 65.0262 172.6184 203 Y 5.1233 9.1520 123.1162 56.2633 40.5599 174.8404 204 Q 5.1233 9.2928 122.4635 54.2866 32.5799 174.6907 205 S 5.2567 8.9498 118.0069 56.7178 66.9139 173.1783 206 A 4.8057 9.1740 125.3456 50.1288 21.8806 174.7639 207 L 5.1392 8.4960 122.0620 53.2809 44.2916 175.7988 208 S 4.8631 8.9265 116.1289 57.7636 66.9274 172.6021 209 K 4.8689 8.5533 117.9454 54.6279 35.6649 175.8308 210 D 4.6733 8.8971 122.5177 52.1322 41.5542 175.5853 211 P 4.3477 0.0000 0.0000 65.1832 31.4244 176.6461 212 N 4.6431 8.3679 115.1707 52.8513 38.7133 173.9284 213 E 4.4898 7.9118 120.4781 54.3764 30.7358 175.8265 214 K 4.2622 8.5024 125.3046 57.7235 32.9680 177.5760 215 R 4.2250 8.0908 117.7074 55.4627 30.8004 175.6295 216 D 4.8200 8.6383 120.5493 54.9529 42.2578 174.6949 217 H 4.8798 8.4236 119.5983 55.0405 31.6451 172.2914 218 M 4.4796 8.0690 117.8083 52.5943 35.8001 173.5980 219 V 4.6840 8.7037 125.7522 61.1958 33.9736 174.0609 220 L 5.1124 8.9987 129.6519 53.1330 45.2570 174.4603 221 L 5.0046 8.8551 128.2349 53.2945 44.6543 174.8176 222 E 5.2155 8.8375 124.8628 54.5629 33.9667 174.5917 223 F 5.2258 9.2619 121.5967 55.7001 42.8687 174.3262 224 V 4.5743 8.9647 122.8710 61.4033 34.9103 174.1835 225 T 4.9743 8.5787 123.3099 61.6111 72.3856 173.3198 226 A 4.3368 8.5023 128.2555 52.0986 19.5566 176.6226 227 A 3.9887 8.2518 120.8232 50.9838 22.7780 177.5835 228 G 3.9291 9.3237 106.2658 45.4088 0.0000 173.4881 229 I 4.4422 7.0710 119.1236 59.0742 39.7905 175.4088 230 T 4.0547 8.8414 114.7952 62.2220 68.1622 173.6831 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 -2 D 8.22 4.58 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 P 0.00 4.25 0.00 2.26 2.08 0.00 3.63 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 2.10 2.18 0.00 0 M 8.60 4.00 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 1 V 7.85 3.62 2.16 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 0.98 0.00 0.00 0.94 0.00 0.00 2 S 8.49 4.23 0.00 3.88 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 3 K 8.26 4.30 0.00 1.81 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.41 7.81 4 G 7.55 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 0.00 0.00 0.00 5 E 8.04 4.10 0.00 1.87 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 2.48 2.37 0.00 6 E 8.26 4.12 0.00 2.56 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 2.28 2.19 0.00 7 L 7.56 4.05 0.00 1.36 0.94 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.42 4.94 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.27 4.10 4.27 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 1.29 0.00 0.00 10 G 7.61 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.45 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 0.83 0.00 0.00 0.99 0.00 0.00 12 V 8.97 4.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.15 0.00 0.00 13 P 0.00 4.82 0.00 2.16 2.15 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 14 I 8.74 5.14 1.74 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.06 0.91 0.00 0.00 15 L 8.85 5.15 0.00 1.70 1.45 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.93 5.02 2.24 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 1.23 0.00 0.00 1.10 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 2.25 2.40 0.00 18 L 9.42 5.28 0.00 1.92 1.76 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.95 5.17 0.00 2.54 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 20 G 8.41 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 21 D 8.04 4.97 0.00 2.58 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 22 V 9.03 4.78 2.11 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 0.69 0.00 0.00 0.94 0.00 0.00 23 N 10.04 4.30 0.00 2.95 2.89 0.00 0.00 7.10 8.26 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 24 G 8.37 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 0.00 0.00 0.00 25 H 8.28 4.51 0.00 3.29 3.29 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 8.49 4.91 0.00 1.65 1.70 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.43 7.81 27 F 8.51 5.05 0.00 2.94 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 28 S 9.14 5.24 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 8.92 5.08 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 1.25 0.00 0.00 1.25 0.00 0.00 30 S 9.27 5.35 0.00 3.82 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 9.33 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 32 E 8.63 5.04 0.00 1.75 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 33 G 8.04 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 34 E 8.14 4.99 0.00 2.03 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 2.09 2.17 0.00 35 G 8.74 3.52 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 36 D 9.14 4.99 0.00 2.76 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 37 A 8.94 4.48 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.72 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 0.59 0.00 0.00 39 Y 7.81 4.49 0.00 3.17 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 40 G 8.24 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 0.00 0.00 0.00 0.00 41 K 8.00 4.67 0.00 2.03 1.73 0.00 1.92 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 0.87 7.81 42 L 8.43 5.04 0.00 1.49 1.33 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.58 4.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 44 L 8.91 4.94 0.00 1.33 0.66 1.04 0.52 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 45 K 8.32 4.67 0.00 1.60 1.39 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.27 7.81 46 F 8.88 5.22 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 9.00 5.07 1.94 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 1.12 0.73 0.99 0.00 0.00 48 C 9.67 5.00 0.00 3.13 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 49 T 9.00 4.61 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 1.32 0.00 0.00 50 T 7.89 4.55 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 1.29 0.00 0.00 51 G 7.76 4.14 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 0.00 52 K 8.61 4.34 0.00 1.71 1.67 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.35 7.81 53 L 9.19 3.73 0.00 1.08 0.86 0.17 -0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.41 0.00 1.94 1.93 0.00 2.68 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.79 0.00 55 V 6.21 4.14 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.42 0.00 0.00 56 P 0.00 4.43 0.00 2.14 2.00 0.00 3.36 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 57 W 9.10 4.34 0.00 3.72 3.41 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 58 P 0.00 4.53 0.00 2.26 2.37 0.00 3.74 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.26 0.00 59 T 8.04 4.31 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 1.03 0.00 0.00 60 L 8.05 4.32 0.00 1.56 0.55 0.74 0.79 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 61 V 7.47 3.59 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 0.26 0.00 0.00 0.88 0.00 0.00 62 T 7.93 4.03 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 1.36 0.00 0.00 63 T 7.68 4.09 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 1.12 0.00 0.00 64 F 7.55 4.75 0.00 2.72 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 *68 L 7.38 4.37 0.00 1.95 2.10 1.05 1.11 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 69 M 7.69 4.03 0.00 0.65 0.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 70 C 7.57 4.07 0.00 2.28 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 8.25 4.50 0.00 3.30 3.11 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 72 A 7.58 4.28 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 73 R 8.89 4.41 0.00 1.98 1.79 0.00 3.06 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 74 Y 8.57 4.51 0.00 2.81 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 75 P 0.00 4.36 0.00 2.03 1.98 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 2.05 2.00 0.00 76 D 8.93 4.43 0.00 2.76 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 77 H 8.24 4.50 0.00 3.31 3.41 0.00 5.53 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.23 4.69 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.34 0.00 79 K 7.97 3.92 0.00 1.71 1.81 0.00 1.68 0.00 0.00 2.00 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.55 7.81 80 Q 8.05 4.09 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.09 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 81 H 8.06 4.66 0.00 3.25 3.25 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 7.08 3.67 0.00 1.58 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 0.00 0.00 0.00 0.00 83 F 7.93 4.26 0.00 3.01 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.48 3.88 0.00 3.13 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 85 K 8.17 4.09 0.00 1.66 1.82 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 1.07 7.81 86 S 7.17 4.11 0.00 4.02 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 87 A 7.49 4.07 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 88 M 7.29 4.73 0.00 2.40 2.41 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.98 0.00 89 P 0.00 4.86 0.00 2.25 2.13 0.00 3.69 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 2.03 1.90 0.00 90 E 8.08 3.92 0.00 1.99 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 9.27 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 92 Y 7.79 5.35 0.00 3.39 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 93 V 9.15 4.72 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 0.99 0.00 0.00 1.02 0.00 0.00 94 Q 9.46 5.27 0.00 2.53 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.51 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 95 E 9.40 5.34 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 96 R 8.90 5.79 0.00 1.73 1.72 0.00 3.15 0.00 0.00 3.26 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 97 T 8.48 4.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 98 I 8.66 4.38 1.65 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.56 -0.04 0.00 0.00 99 F 8.94 4.68 0.00 2.89 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 0.00 100 F 8.86 4.78 0.00 3.17 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 0.00 101 K 8.81 4.01 0.00 1.72 1.77 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.48 7.81 102 D 8.88 4.50 0.00 2.87 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 8.01 4.35 0.00 2.61 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.55 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.29 5.71 0.00 2.54 2.77 0.00 0.00 7.33 7.16 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 0.00 106 Y 8.89 5.62 0.00 2.97 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 0.00 107 K 9.51 5.16 0.00 1.63 1.67 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.46 7.81 108 T 9.22 5.11 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 1.20 0.00 0.00 109 R 9.01 5.10 0.00 1.89 1.78 0.00 3.06 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 110 A 9.29 5.36 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.02 5.02 0.00 1.91 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 0.00 2.25 2.24 0.00 112 V 8.47 4.82 1.04 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 0.80 0.00 0.00 0.99 0.00 0.00 113 K 8.43 4.67 0.00 2.07 1.81 0.00 1.37 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 114 F 8.57 4.68 0.00 2.87 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 0.00 115 E 9.48 4.51 0.00 1.94 1.89 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 2.23 2.37 0.00 116 G 8.25 3.81 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 0.00 0.00 0.00 117 D 8.86 4.58 0.00 2.71 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 0.00 118 T 7.88 4.76 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 119 L 8.89 4.07 0.00 1.22 1.56 1.03 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.67 4.76 2.16 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 0.88 0.00 0.00 0.92 0.00 0.00 121 N 9.24 5.30 0.00 2.92 2.77 0.00 0.00 6.94 8.45 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 0.00 122 R 8.81 5.04 0.00 1.83 1.86 0.00 3.12 0.00 0.00 3.18 7.16 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 9.15 5.15 1.94 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 0.92 0.00 0.00 124 E 9.17 5.13 0.00 1.84 1.76 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 2.18 2.20 0.00 125 L 8.80 5.13 0.00 1.49 1.18 0.38 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.16 5.02 0.00 1.66 1.67 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.49 7.81 127 G 9.58 5.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.62 5.05 1.91 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 1.41 0.87 0.97 0.00 0.00 129 D 8.80 4.61 0.00 2.70 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 0.00 130 F 8.41 4.41 0.00 3.22 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 9.30 4.39 0.00 1.80 1.74 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.39 7.81 132 E 9.05 4.01 0.00 1.97 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 2.35 2.29 0.00 133 D 8.02 4.86 0.00 2.73 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 0.00 134 G 7.72 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 0.00 135 N 8.03 4.41 0.00 2.98 2.88 0.00 0.00 7.44 7.18 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 0.00 136 I 7.62 3.65 1.69 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.49 0.22 0.00 0.00 137 L 7.66 3.93 0.00 1.80 1.66 1.00 0.73 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 G 7.96 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 0.00 139 H 7.35 3.89 0.00 3.29 3.30 0.00 5.62 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.44 4.57 0.00 1.70 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.29 7.81 141 L 7.68 4.70 0.00 1.56 1.62 0.82 0.97 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 8.71 4.14 0.00 2.12 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 2.40 2.39 0.00 143 Y 8.62 4.53 0.00 3.03 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 0.00 144 N 7.67 4.74 0.00 2.86 2.83 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 8.12 4.45 0.00 2.91 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 0.00 146 N 8.09 4.84 0.00 2.53 2.55 0.00 0.00 7.07 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 8.23 4.73 0.00 3.77 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 0.00 148 H 9.08 4.97 0.00 3.07 3.09 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.70 5.21 0.00 2.20 1.84 0.00 0.00 6.72 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 8.24 3.89 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 0.71 0.00 0.00 -0.10 0.00 0.00 151 Y 8.23 4.94 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.98 4.71 1.60 0.00 0.00 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 1.41 0.65 0.93 0.00 0.00 153 M 9.29 5.39 0.00 2.17 2.13 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 2.57 2.35 0.00 154 A 8.57 4.33 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 0.00 155 D 8.80 4.68 0.00 2.60 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 0.00 156 K 8.39 3.95 0.00 1.85 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.46 7.81 157 Q 8.09 4.04 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 158 K 7.86 4.32 0.00 1.82 1.83 0.00 2.06 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.60 7.81 159 N 7.96 4.29 0.00 2.87 2.90 0.00 0.00 6.82 7.62 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 0.00 160 G 7.72 3.70 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 0.00 0.00 0.00 161 I 7.74 5.04 1.72 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.49 0.25 0.00 0.00 162 K 9.15 5.15 0.00 1.66 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.32 7.81 163 V 8.72 5.04 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 1.38 0.00 0.00 1.07 0.00 0.00 164 N 8.95 5.44 0.00 2.78 2.60 0.00 0.00 6.83 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 0.00 165 F 7.30 4.81 0.00 3.11 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 0.00 166 K 8.87 4.90 0.00 1.65 1.73 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.28 1.40 7.81 167 I 8.48 4.04 1.74 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.94 0.47 0.00 0.00 168 R 8.52 4.77 0.00 1.67 1.83 0.00 3.20 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 169 H 8.95 4.69 0.00 3.22 3.23 0.00 5.62 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 0.00 170 N 8.82 4.80 0.00 2.75 2.83 0.00 0.00 6.88 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 0.00 171 I 8.50 5.01 2.01 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 1.32 1.07 1.00 0.00 0.00 172 E 8.58 4.65 0.00 2.10 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 0.00 2.40 2.32 0.00 173 D 8.12 4.64 0.00 2.75 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 0.00 174 G 8.49 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 0.00 0.00 0.00 175 S 8.57 4.60 0.00 3.98 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 0.00 176 V 8.16 4.97 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 0.80 0.00 0.00 0.94 0.00 0.00 177 Q 9.21 4.55 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 178 L 8.57 4.75 0.00 1.67 1.55 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 179 A 9.06 4.57 0.75 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 0.00 180 D 8.98 4.81 0.00 2.97 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 0.00 181 H 8.72 5.01 0.00 1.69 2.27 0.00 5.75 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 0.00 182 Y 9.01 4.79 0.00 3.02 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 0.00 183 Q 9.30 5.32 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 184 Q 9.22 5.02 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 185 N 9.18 5.92 0.00 2.53 2.75 0.00 0.00 6.34 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 9.04 5.17 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 187 P 0.00 4.93 0.00 2.33 2.18 0.00 3.64 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.40 0.00 188 I 8.80 4.09 2.14 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 1.22 0.57 0.94 0.00 0.00 189 G 7.98 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 0.00 190 D 8.44 4.70 0.00 2.63 2.67 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 0.00 191 G 7.65 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 0.00 192 P 0.00 4.42 0.00 2.04 1.99 0.00 3.62 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 2.02 2.10 0.00 193 V 7.93 4.47 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 0.75 0.00 0.00 1.06 0.00 0.00 194 L 8.57 4.38 0.00 1.63 1.67 0.79 0.73 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 0.00 195 L 8.39 4.61 0.00 1.62 1.58 0.91 1.15 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 0.00 196 P 0.00 4.71 0.00 2.35 2.37 0.00 3.66 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 1.97 1.97 0.00 197 D 8.56 4.69 0.00 2.68 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 8.83 5.20 0.00 2.79 2.86 0.00 0.00 7.15 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 8.47 4.93 0.00 3.30 3.36 0.00 5.40 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 8.43 5.23 0.00 2.73 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 0.00 201 L 8.95 4.95 0.00 1.63 1.43 0.94 0.78 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 0.00 202 S 9.12 5.03 0.00 3.83 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 0.00 203 Y 9.15 5.12 0.00 3.08 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 0.00 204 Q 9.29 5.12 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 205 S 8.95 5.26 0.00 3.68 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 9.17 4.81 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 0.00 207 L 8.50 5.14 0.00 0.94 0.84 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 208 S 8.93 4.86 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 8.55 4.87 0.00 1.60 1.70 0.00 1.37 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.17 1.11 7.81 210 D 8.90 4.67 0.00 2.61 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 P 0.00 4.35 0.00 2.21 2.17 0.00 3.79 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 1.97 1.98 0.00 212 N 8.37 4.64 0.00 2.84 2.85 0.00 0.00 6.77 7.28 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 0.00 213 E 7.91 4.49 0.00 1.84 1.60 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 1.77 2.22 0.00 214 K 8.50 4.26 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.39 7.81 215 R 8.09 4.23 0.00 1.96 1.93 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 216 D 8.64 4.82 0.00 2.94 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 0.00 217 H 8.42 4.88 0.00 3.22 3.20 0.00 5.52 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 8.07 4.48 0.00 1.40 0.84 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 219 V 8.70 4.68 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 0.89 0.00 0.00 0.91 0.00 0.00 220 L 9.00 5.11 0.00 1.90 1.64 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.86 5.00 0.00 1.71 1.46 0.54 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 222 E 8.84 5.22 0.00 1.83 1.76 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 2.21 2.25 0.00 223 F 9.26 5.23 0.00 2.94 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 0.00 224 V 8.96 4.57 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.29 0.00 0.00 225 T 8.58 4.97 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 226 A 8.50 4.34 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 8.25 3.99 0.70 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 0.00 0.00 228 G 9.32 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 I 7.07 4.44 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.63 0.88 0.00 0.00 230 T 8.84 4.05 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.