NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2488 7.8827 121.4525 61.2203 38.6373 173.7622 17 V 4.3335 8.7430 126.2182 61.8208 32.7075 174.5596 18 G 4.1270 8.5186 114.1079 46.6820 0.0000 173.4275 19 G 4.2154 7.6940 109.8360 44.3641 0.0000 172.7478 20 Y 4.9602 7.8610 116.8119 55.2001 42.1097 175.0258 21 T 4.1581 8.6199 117.6191 64.2572 68.4079 174.9648 22 C 4.2505 8.6224 125.4453 59.9363 35.1961 175.3938 23 G 4.0594 8.4703 105.8284 44.5897 0.0000 172.7246 24 A 4.3363 8.4757 125.6149 53.5120 18.6895 176.9648 25 N 4.2765 8.9285 119.0147 54.4562 36.1516 175.4455 26 T 4.1306 7.6900 107.8600 63.0184 69.8162 175.0172 27 V 4.0682 7.0926 121.9786 60.5500 31.2361 173.6625 28 P 4.4324 0.0000 0.0000 63.8950 32.2258 178.1078 29 Y 5.1767 6.9307 116.3400 57.1699 38.8279 174.6168 30 Q 4.5716 7.5548 123.6456 56.1993 29.5099 175.5051 31 V 4.8285 8.9766 119.3509 59.6921 35.8227 174.2284 32 S 4.7992 8.6879 117.1631 56.5899 64.7031 172.6997 33 L 4.6544 8.3919 127.6091 53.4669 43.1591 175.0549 34 N 5.7329 8.9889 122.7134 49.9054 41.9897 174.9201 *37 S 4.3291 8.3863 120.9102 58.3289 64.0745 174.5510 38 G 3.9576 9.6354 107.0243 45.8698 0.0000 172.5636 39 Y 4.5273 6.7897 114.8561 56.1698 39.7916 172.5612 40 H 4.4932 8.9554 122.1945 56.3662 30.3557 174.8146 41 F 5.0234 8.0340 120.0700 56.8320 39.5823 173.8384 42 C 4.6905 6.8843 115.0672 56.1504 44.8095 173.4043 43 G 4.3423 8.7146 109.5100 45.6316 0.0000 172.3349 44 G 4.5016 7.9649 105.1067 46.3557 0.0000 172.4725 45 S 5.4095 8.7767 115.6192 56.3145 66.5665 173.7487 46 L 4.7066 9.2437 128.1558 55.0870 42.3290 177.1395 47 I 4.5077 8.6877 119.3968 60.9568 38.9894 174.3485 48 N 4.8316 7.6192 117.3184 52.1074 39.6371 174.7995 49 S 4.3042 8.7401 111.6048 60.6325 63.2273 174.8520 50 Q 4.6232 9.0752 118.9600 55.2465 30.8502 175.0219 51 W 5.5944 8.3953 118.8744 54.8755 33.9064 174.2349 52 V 4.9571 9.1187 123.3269 61.1670 34.4799 174.1144 53 V 4.8268 8.8001 127.3864 61.8923 33.1099 174.7535 54 S 5.1764 8.9842 121.4467 57.5297 66.3100 171.7934 55 A 4.6523 8.4717 120.6944 50.6044 20.3876 178.3118 56 A 3.7916 8.3851 124.9023 55.4025 18.3623 179.1859 57 H 4.5294 8.3513 109.3194 57.3897 28.6945 175.4130 58 C 4.6521 7.8350 117.1282 57.4739 40.5385 173.3505 59 Y 4.2060 7.6510 122.0332 57.8962 38.7202 175.1486 60 K 3.6932 6.8318 123.4062 55.8655 34.7610 174.6534 61 S 4.1478 8.0687 114.3409 58.8719 63.7931 173.4783 62 G 3.7033 8.4215 106.9440 46.6797 0.0000 173.5381 63 I 4.1091 7.5941 120.5297 60.4245 38.7487 174.7235 64 Q 4.6502 8.7723 128.7705 54.3127 31.0170 174.3135 65 V 4.2487 8.7090 127.5937 62.2234 33.3156 174.6738 66 R 5.0400 9.0715 127.3564 54.6719 32.3918 175.0594 67 L 4.7485 9.1214 124.8035 52.7667 44.7400 177.7669 *69 G 4.0860 8.3110 108.0816 45.2729 0.0000 172.7770 70 E 4.3591 8.1777 118.6633 55.6230 29.9670 174.0011 71 D 4.8568 8.0115 118.0221 55.2852 44.2565 174.6077 72 N 4.8839 8.6599 120.9751 53.3097 39.2260 175.9747 73 I 3.9670 8.4758 119.9401 62.1641 37.9631 176.2637 74 N 4.7757 8.6576 118.1959 53.0802 39.0584 174.8472 75 V 4.3120 7.3641 117.5184 60.7837 34.4870 175.1216 76 V 4.0482 8.4405 126.7112 62.6985 30.6896 175.0732 77 E 4.3547 9.4201 127.6567 55.7994 30.5909 177.6619 78 G 3.8903 7.9978 105.5553 46.7143 0.0000 173.8670 79 N 4.5915 8.8712 116.8605 52.6889 36.5852 174.4207 80 E 4.4674 7.6972 117.2504 56.4682 30.6719 176.3070 81 Q 4.4705 9.0691 121.1156 54.2395 32.6213 174.1381 82 F 5.5638 8.8424 122.9393 56.0339 40.8651 175.3297 83 I 4.6669 8.8315 124.7297 59.2348 40.9665 175.4117 84 S 4.5351 8.7908 122.7399 58.3126 64.0920 173.5759 85 A 4.4578 8.6446 126.3140 52.3950 18.0734 177.5990 86 S 4.5927 9.0721 116.7307 58.7139 65.0857 174.7702 87 K 4.7230 7.6634 118.8664 54.6899 36.5918 175.5916 88 S 5.0231 8.8456 118.9475 57.1699 66.1696 173.8475 89 I 4.4494 9.3480 127.6903 59.3599 38.6177 175.3156 90 V 4.0807 8.2571 127.2486 62.2579 32.6391 175.1738 91 H 3.9629 8.7002 127.2097 56.0950 29.9596 174.4522 92 P 4.3131 0.0000 0.0000 65.2699 31.3644 177.1543 93 S 4.6594 7.9596 111.6497 58.0089 62.9396 173.3801 94 Y 4.3533 8.1498 123.7461 57.7621 39.0135 174.3936 95 N 4.6727 8.2506 125.6944 51.4640 40.3790 175.1473 96 S 3.7988 7.8704 119.6516 59.3680 63.8312 175.0028 97 N 4.3949 8.0578 118.3928 55.4524 38.7768 176.0472 98 T 3.9067 7.9975 105.9959 60.9806 69.6178 175.1730 99 L 3.7453 7.9119 120.7482 55.3574 39.9667 173.9229 100 N 4.3272 7.5192 116.9688 55.0174 39.3519 174.6592 101 N 4.5321 8.7242 121.4633 54.1381 35.8536 175.5095 102 D 4.7009 7.9375 117.6941 53.0278 39.8091 174.4831 103 I 4.7579 7.1625 120.9851 59.2088 42.2409 172.7493 104 M 5.3988 9.2208 127.5372 54.0027 36.2600 173.3239 105 L 5.3403 9.2132 125.2252 53.2932 44.4592 175.2900 106 I 4.8909 9.1422 124.8149 59.4074 40.0226 174.4888 107 K 3.5939 8.3576 128.7716 54.8501 33.4552 175.5681 108 L 4.5375 8.0490 127.7154 53.8655 42.0995 177.1175 109 K 4.1547 8.8174 124.8398 58.7987 32.6291 177.0100 110 S 4.6908 7.7544 111.4454 55.6172 66.1685 173.1360 111 A 4.3690 8.3817 123.0428 51.7956 18.6700 177.5337 112 A 4.2342 8.9597 124.2461 52.0075 19.5323 177.2440 113 S 4.4346 9.1343 116.2135 57.3701 62.8829 173.9405 114 L 4.5897 8.5225 128.0245 54.2941 42.7792 175.9706 115 N 4.8600 8.8987 119.1424 52.1844 39.9063 175.0013 116 S 4.2060 8.7096 111.8173 61.1712 63.0759 175.0793 117 R 4.2614 8.2595 118.3402 56.2777 30.6834 176.4159 118 V 4.4111 7.8518 116.8398 61.0390 33.0941 173.4513 119 A 5.1623 8.6765 128.6391 50.1495 22.7763 175.4866 120 S 4.9125 8.8178 115.5167 58.3090 64.4600 173.0571 121 I 4.3908 8.1795 121.7723 59.0934 39.2116 175.5748 122 S 4.3607 8.4325 124.7445 58.4922 63.9234 174.0201 123 L 4.2190 8.3915 123.4237 53.3805 42.3864 175.3073 124 P 4.4386 0.0000 0.0000 63.2407 31.8158 176.4284 125 T 4.1676 8.2560 109.0860 62.4091 69.9151 174.5384 *127 S 4.2974 7.5565 115.0185 58.0180 64.0317 174.0872 128 C 4.3956 8.4071 117.9778 56.7792 40.6274 173.5179 129 A 4.4197 8.0137 124.8131 51.3365 19.7908 176.7698 130 S 4.5117 7.9957 113.0322 56.2740 65.7451 173.0995 *132 A 4.2673 8.2192 122.8860 53.4598 19.1664 177.2758 133 G 3.9804 9.0867 110.9367 45.3301 0.0000 174.2458 134 T 3.9815 7.5755 117.6160 63.8225 69.4203 173.6013 135 Q 4.6908 8.6040 125.3473 55.6474 29.8985 175.8302 136 C 5.2537 9.2903 120.2580 55.0646 45.7209 172.4163 137 L 5.1650 9.0284 122.7917 53.6081 43.7716 175.0457 138 I 5.2860 9.1031 127.4651 58.8133 40.0874 174.8727 139 S 4.8534 8.5426 119.3408 56.4638 66.4763 173.1946 140 G 3.7519 7.3679 107.8991 46.2481 0.0000 172.8962 141 W 4.5826 8.5013 117.1812 56.2785 29.3968 176.9472 142 G 4.1749 8.5259 109.4313 44.4143 0.0000 173.4481 143 N 3.8490 8.8897 118.5046 54.3555 38.9494 174.6005 144 T 5.0971 8.2698 113.4557 60.5311 69.4373 174.3627 145 K 4.6334 7.8039 121.2761 54.8463 34.7212 176.2716 146 S 4.4933 8.5734 116.3181 59.4622 63.8304 174.3337 147 S 4.4766 7.7811 116.7902 57.6709 65.4584 174.7543 148 G 3.8791 9.3501 114.1962 44.6359 0.0000 171.7756 149 T 4.7994 7.9175 107.0690 60.1511 71.9066 173.6741 150 S 4.5061 9.3277 119.1504 57.3871 66.2445 171.9640 151 Y 5.0775 8.6504 124.9897 55.6131 39.6743 174.0249 152 P 4.7287 0.0000 0.0000 62.1607 33.0739 175.9619 153 D 4.5545 8.7680 119.2149 56.7547 41.2175 177.0205 154 V 5.3402 7.3996 109.7992 58.4307 34.5010 175.7874 155 L 3.1792 8.3804 124.1882 54.9763 42.9748 176.0136 156 K 4.9199 8.1644 124.7143 54.8766 35.4099 174.5144 157 C 5.2116 8.4315 118.9803 55.2042 42.9884 173.0499 158 L 4.9797 8.6208 122.9063 53.7377 45.5074 174.7396 159 K 5.0772 9.0359 125.6847 55.7263 33.2884 176.0680 160 A 4.8826 9.3815 126.0903 49.8955 23.1143 173.4680 161 P 5.0562 0.0000 0.0000 61.7735 33.8779 175.3635 162 I 4.3361 8.4104 123.0622 61.6667 38.0215 175.8458 163 L 4.8396 8.7436 127.3717 53.1532 43.4921 176.8394 164 S 4.3572 8.4360 114.7636 58.1598 64.0274 175.0365 165 D 4.4368 8.8213 121.7590 57.7319 40.5429 179.3919 166 S 4.1713 7.9818 114.1869 61.6491 63.1747 176.6004 167 S 4.1520 8.2397 118.8779 61.0811 62.5040 175.7953 168 C 4.2887 8.3221 121.2995 59.8674 39.0370 175.9668 169 K 3.9846 8.2478 119.9557 59.3133 31.3912 179.2394 170 S 4.1677 8.1255 112.3192 60.6310 62.3373 175.6663 171 A 4.0183 7.7167 123.2610 53.9412 19.7291 177.3357 172 Y 4.8824 7.8970 114.1370 55.2205 38.5635 172.7194 173 P 4.7540 0.0000 0.0000 63.4240 32.2168 177.6556 174 G 3.9675 8.9382 108.6178 46.3429 0.0000 173.7644 175 Q 4.4739 8.2421 116.9108 55.4043 30.2288 175.5138 176 I 4.3832 7.8354 119.6102 59.9900 38.1331 175.6017 177 T 4.4979 8.2554 116.3231 59.9070 70.5384 175.5837 178 S 4.3244 8.4831 115.1831 60.5683 63.2674 174.3880 179 N 4.9604 7.9517 117.7298 53.4696 38.3352 173.9375 180 M 5.5713 7.9535 116.9054 53.6897 36.0213 174.5595 181 F 5.1360 8.8401 115.4105 55.7232 42.3012 172.5322 182 C 5.4783 8.9483 116.0334 55.8139 39.1737 172.7607 183 A 5.0569 9.4166 122.6647 50.9704 22.4152 174.2583 184 G 4.0392 7.5193 105.9163 44.3507 0.0000 175.2257 184A Y 4.6020 8.4906 122.7155 56.4104 41.0169 175.8280 185 L 4.2601 8.6599 125.7795 56.8147 42.0705 178.5389 186 E 4.0743 8.2078 115.1098 56.7355 30.0748 177.9006 187 G 3.9907 7.5215 104.0941 46.6271 0.0000 173.8562 188 G 3.9509 9.7386 108.1201 44.5868 0.0000 173.4278 188A K 4.8807 7.3735 117.5545 55.4022 35.4744 174.9405 189 D 4.7072 8.9481 123.7437 53.5823 45.5914 174.7838 190 S 4.9583 8.1490 114.3775 58.2417 65.0646 171.6386 191 C 4.7608 9.0958 118.4849 55.5338 44.7326 172.3382 192 Q 4.3167 8.6295 119.0968 58.0780 28.4841 178.3802 193 G 4.3083 9.2550 110.6442 45.6548 0.0000 173.9249 194 D 4.6662 8.4169 118.6518 55.3708 41.6554 176.5609 195 S 4.4364 8.0558 115.1022 60.3224 63.3345 175.5110 196 G 4.1042 8.9157 113.2851 46.3894 0.0000 173.6577 197 G 4.4330 7.9064 107.5359 44.8696 0.0000 171.1561 198 P 5.0758 0.0000 0.0000 62.3316 33.4702 175.6223 199 V 4.5687 8.7083 121.8616 61.4253 34.0175 174.0989 200 V 4.8903 8.7741 128.9693 61.2483 34.1582 173.6360 201 C 5.1070 8.8809 124.8922 55.4270 43.5372 174.5957 202 S 3.6200 9.8254 121.4392 59.7118 60.0967 173.4201 203 G 3.9145 8.4528 104.3919 45.5288 0.0000 173.7267 204 K 4.6730 7.6089 118.1954 53.1066 34.8754 175.4188 *209 L 4.3365 8.2743 123.5677 55.4355 41.9357 175.6228 210 Q 4.4957 8.8047 125.6488 56.5230 30.7092 175.7977 211 G 5.2836 8.0632 104.6624 45.6021 0.0000 171.3421 212 I 5.2674 8.1891 120.0584 58.8064 40.8513 175.2883 213 V 3.8736 8.8912 127.3009 64.0494 31.8059 174.1431 214 S 4.8231 8.5281 120.6661 58.5290 64.3240 174.0043 215 W 4.9364 7.3414 114.0170 55.7100 31.9678 172.3249 216 G 3.9622 8.3597 107.1212 46.4800 0.0000 172.7190 217 S 4.6349 8.4427 115.3406 56.8930 62.6544 172.6903 *219 G 4.4341 8.0679 118.1234 45.7026 0.0000 171.1803 220 C 4.9027 8.1229 116.0589 56.4198 44.5131 173.9270 221 A 3.9305 9.3118 126.3199 53.2126 16.7668 176.8787 221A Q 4.4973 7.5014 120.5484 56.7613 29.7820 176.7569 222 K 4.2195 8.4995 122.4690 56.4950 32.0235 176.5498 223 N 4.3572 9.0267 119.1810 53.1034 36.7850 175.4151 224 K 4.2106 7.6618 117.9243 53.5890 32.5309 173.9312 225 P 4.6612 0.0000 0.0000 61.6991 33.3089 176.5132 226 G 3.6277 8.5257 107.0420 46.0757 0.0000 172.8652 227 V 4.4191 7.5849 122.3930 60.6200 34.0116 174.0426 228 Y 4.9842 8.0804 124.5911 55.9194 41.9344 175.0919 229 T 4.3022 8.6055 120.3745 63.7516 69.9747 174.1777 230 K 5.0621 9.2499 128.1014 55.3853 31.3381 177.2692 231 V 3.9656 8.9444 126.3690 65.7294 31.4195 174.8910 232 C 4.4182 8.3328 112.8800 58.4344 41.4778 175.0262 233 N 4.1867 8.1425 117.3163 54.7277 38.4282 175.5727 234 Y 4.7461 8.0317 117.6272 57.4826 38.7765 177.4394 235 V 3.6898 7.8042 120.9980 66.2923 31.7044 177.9253 236 S 4.1283 8.1162 114.4012 61.2977 62.6653 176.3416 237 W 4.1432 8.3134 130.6376 60.3985 30.4833 177.9265 238 I 3.3035 8.5179 120.1945 64.2717 36.6170 178.5415 239 K 3.7441 8.1297 119.4025 59.4445 31.8738 179.2676 240 Q 3.8274 8.0292 119.7648 59.2887 28.7346 178.2395 241 T 3.4839 7.1822 115.7269 66.5794 68.6485 176.2992 242 I 2.6742 7.2404 121.5269 63.9378 36.7445 178.4518 243 A 4.0296 7.5812 120.5568 54.1338 18.2117 178.7240 244 S 4.5984 7.6062 110.4036 58.3732 63.5955 174.1004 245 N 4.6709 7.9581 125.6386 53.8250 39.2699 173.9993 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 16 I 7.88 4.25 1.80 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 1.39 0.52 0.86 0.00 0.00 17 V 8.74 4.33 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 0.99 0.00 0.00 0.98 0.00 0.00 18 G 8.52 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 0.00 0.00 0.00 0.00 19 G 7.69 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 20 Y 7.86 4.96 0.00 2.95 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 21 T 8.62 4.16 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 1.22 0.00 0.00 22 C 8.62 4.25 0.00 2.73 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 23 G 8.47 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.48 4.34 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 25 N 8.93 4.28 0.00 2.87 2.92 0.00 0.00 7.15 7.54 0.00 0.00 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 T 7.69 4.13 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 27 V 7.09 4.07 1.73 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 0.31 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.43 0.00 2.29 2.37 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 29 Y 6.93 5.18 0.00 3.19 3.42 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 30 Q 7.55 4.57 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.73 0.00 0.00 0.00 0.00 0.00 1.90 2.50 0.00 31 V 8.98 4.83 2.21 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 0.86 0.00 0.00 0.98 0.00 0.00 32 S 8.69 4.80 0.00 2.97 3.22 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 33 L 8.39 4.65 0.00 0.41 0.88 0.77 0.22 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 34 N 8.99 5.73 0.00 2.40 2.45 0.00 0.00 6.78 8.47 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 *37 S 8.39 4.33 0.00 3.72 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 38 G 9.64 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 0.00 0.00 0.00 39 Y 6.79 4.53 0.00 3.04 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 40 H 8.96 4.49 0.00 2.86 3.16 0.00 5.86 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 41 F 8.03 5.02 0.00 2.97 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 42 C 6.88 4.69 0.00 2.17 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 43 G 8.71 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 0.00 0.00 0.00 0.00 44 G 7.96 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.78 5.41 0.00 3.82 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 46 L 9.24 4.71 0.00 1.87 1.68 1.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.69 4.51 1.91 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 1.56 0.94 0.96 0.00 0.00 48 N 7.62 4.83 0.00 3.01 3.02 0.00 0.00 6.02 7.64 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 49 S 8.74 4.30 0.00 4.22 4.20 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 0.00 0.00 0.00 50 Q 9.08 4.62 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 51 W 8.40 5.59 0.00 3.33 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 52 V 9.12 4.96 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 1.00 0.00 0.00 0.98 0.00 0.00 53 V 8.80 4.83 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.03 0.00 0.00 54 S 8.98 5.18 0.00 3.89 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 55 A 8.47 4.65 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 56 A 8.39 3.79 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 57 H 8.35 4.53 0.00 3.38 3.57 0.00 5.55 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 58 C 7.84 4.65 0.00 3.20 3.33 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 59 Y 7.65 4.21 0.00 2.92 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 60 K 6.83 3.69 0.00 1.49 1.39 0.00 0.62 0.00 0.00 1.21 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 0.90 7.81 61 S 8.07 4.15 0.00 3.92 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 62 G 8.42 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 63 I 7.59 4.11 1.85 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 1.37 0.61 0.92 0.00 0.00 64 Q 8.77 4.65 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 65 V 8.71 4.25 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 0.97 0.00 0.00 0.88 0.00 0.00 66 R 9.07 5.04 0.00 1.57 1.83 0.00 2.62 0.00 0.00 2.48 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.13 0.00 67 L 9.12 4.75 0.00 1.65 1.62 1.03 0.62 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 *69 G 8.31 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 70 E 8.18 4.36 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.05 0.00 71 D 8.01 4.86 0.00 2.74 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 72 N 8.66 4.88 0.00 2.82 2.83 0.00 0.00 7.20 7.81 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 73 I 8.48 3.97 1.42 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 1.13 0.52 -0.43 0.00 0.00 74 N 8.66 4.78 0.00 2.82 2.88 0.00 0.00 6.62 7.23 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 75 V 7.36 4.31 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 0.77 0.00 0.00 0.95 0.00 0.00 76 V 8.44 4.05 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 0.82 0.00 0.00 0.95 0.00 0.00 77 E 9.42 4.35 0.00 1.99 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 2.28 2.44 0.00 78 G 8.00 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 79 N 8.87 4.59 0.00 2.94 3.11 0.00 0.00 6.99 7.66 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 80 E 7.70 4.47 0.00 1.56 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 81 Q 9.07 4.47 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 82 F 8.84 5.56 0.00 2.78 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 83 I 8.83 4.67 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 1.24 0.87 0.93 0.00 0.00 84 S 8.79 4.54 0.00 3.74 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.64 4.46 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 86 S 9.07 4.59 0.00 3.74 3.90 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 87 K 7.66 4.72 0.00 1.54 1.70 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.34 7.81 88 S 8.85 5.02 0.00 4.01 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 89 I 9.35 4.45 2.06 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 1.06 0.00 0.00 90 V 8.26 4.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.80 0.00 0.00 91 H 8.70 3.96 0.00 2.91 3.00 0.00 5.65 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 92 P 0.00 4.31 0.00 2.09 2.16 0.00 3.38 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 93 S 7.96 4.66 0.00 3.93 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 94 Y 8.15 4.35 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 95 N 8.25 4.67 0.00 2.59 2.43 0.00 0.00 6.63 7.65 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 96 S 7.87 3.80 0.00 3.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.06 4.39 0.00 2.74 2.77 0.00 0.00 6.90 7.54 0.00 0.00 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 T 8.00 3.91 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 1.09 0.00 0.00 99 L 7.91 3.75 0.00 1.53 1.88 0.72 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.52 4.33 0.00 2.82 2.67 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.72 4.53 0.00 2.94 2.65 0.00 0.00 7.23 8.06 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 0.00 102 D 7.94 4.70 0.00 3.09 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 0.00 103 I 7.16 4.76 1.38 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.25 0.10 0.00 0.00 104 M 9.22 5.40 0.00 2.11 1.82 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.63 0.00 105 L 9.21 5.34 0.00 1.82 1.96 0.34 1.04 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 0.00 106 I 9.14 4.89 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 1.17 0.91 0.91 0.00 0.00 107 K 8.36 3.59 0.00 0.79 1.06 0.00 1.38 0.00 0.00 1.37 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.75 0.21 7.81 108 L 8.05 4.54 0.00 1.46 1.56 0.93 0.72 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 0.00 109 K 8.82 4.15 0.00 1.78 1.79 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.35 7.81 110 S 7.75 4.69 0.00 3.93 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 0.00 111 A 8.38 4.37 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 0.00 112 A 8.96 4.23 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 0.00 113 S 9.13 4.43 0.00 3.87 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 0.00 114 L 8.52 4.59 0.00 1.68 1.60 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.90 4.86 0.00 2.87 2.92 0.00 0.00 6.56 6.84 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 0.00 116 S 8.71 4.21 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.26 4.26 0.00 1.94 2.03 0.00 3.19 0.00 0.00 3.27 7.33 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.56 4.30 0.00 4.00 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 0.00 128 C 8.41 4.40 0.00 2.94 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 0.00 129 A 8.01 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.00 4.51 0.00 3.93 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 *132 A 8.22 4.27 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 0.00 133 G 9.09 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.58 3.98 4.20 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 0.00 0.00 1.15 0.00 0.00 135 Q 8.60 4.69 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 136 C 9.29 5.25 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.03 5.16 0.00 1.75 1.58 1.01 1.15 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 0.00 138 I 9.10 5.29 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.56 0.98 0.00 0.00 139 S 8.54 4.85 0.00 3.58 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 0.00 140 G 7.37 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.50 4.58 0.00 3.08 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 0.00 142 G 8.53 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 0.00 143 N 8.89 3.85 0.00 2.37 2.67 0.00 0.00 7.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.27 5.10 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 1.28 0.00 0.00 145 K 7.80 4.63 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.26 1.27 7.81 146 S 8.57 4.49 0.00 4.11 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 0.00 147 S 7.78 4.48 0.00 3.82 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.35 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 0.00 149 T 7.92 4.80 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 1.25 0.00 0.00 150 S 9.33 4.51 0.00 3.78 3.61 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 0.00 151 Y 8.65 5.08 0.00 2.94 2.91 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 0.00 152 P 0.00 4.73 0.00 2.46 2.10 0.00 4.20 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 153 D 8.77 4.55 0.00 2.81 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 0.00 154 V 7.40 5.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 155 L 8.38 3.18 0.00 1.25 1.22 -0.73 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.16 4.92 0.00 1.66 1.49 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 157 C 8.43 5.21 0.00 1.55 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 0.00 0.00 0.00 0.00 158 L 8.62 4.98 0.00 1.70 1.46 1.00 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 0.00 159 K 9.04 5.08 0.00 1.82 1.83 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.62 7.81 160 A 9.38 4.88 1.21 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 0.00 161 P 0.00 5.06 0.00 2.02 2.28 0.00 3.05 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 162 I 8.41 4.34 1.91 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.83 0.00 0.00 163 L 8.74 4.84 0.00 1.54 1.60 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.44 4.36 0.00 4.00 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 0.00 165 D 8.82 4.44 0.00 2.76 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 0.00 166 S 7.98 4.17 0.00 4.05 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 0.00 167 S 8.24 4.15 0.00 3.91 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 0.00 168 C 8.32 4.29 0.00 3.18 3.29 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 0.00 169 K 8.25 3.98 0.00 1.98 1.89 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.60 7.81 170 S 8.13 4.17 0.00 3.88 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 0.00 171 A 7.72 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 7.90 4.88 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 0.00 173 P 0.00 4.75 0.00 2.22 2.10 0.00 3.58 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 174 G 8.94 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 Q 8.24 4.47 0.00 2.48 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 176 I 7.84 4.38 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.94 1.00 0.00 0.00 177 T 8.26 4.50 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 1.25 0.00 0.00 178 S 8.48 4.32 0.00 4.01 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 0.00 179 N 7.95 4.96 0.00 3.11 3.10 0.00 0.00 6.59 7.54 0.00 0.00 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 M 7.95 5.57 0.00 1.88 2.11 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 181 F 8.84 5.14 0.00 3.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.95 5.48 0.00 2.98 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 0.00 183 A 9.42 5.06 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 0.00 184 G 7.52 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 0.00 0.00 0.00 184A Y 8.49 4.60 0.00 3.02 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 0.00 185 L 8.66 4.26 0.00 1.73 1.72 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.21 4.07 0.00 2.10 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 0.00 2.31 2.26 0.00 187 G 7.52 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 0.00 188 G 9.74 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 188A K 7.37 4.88 0.00 1.39 1.65 0.00 1.00 0.00 0.00 0.65 0.00 0.00 2.53 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.21 7.81 189 D 8.95 4.71 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.15 4.96 0.00 4.17 4.02 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 0.00 191 C 9.10 4.76 0.00 2.99 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 Q 8.63 4.32 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.21 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 193 G 9.25 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 0.00 0.00 0.00 0.00 194 D 8.42 4.67 0.00 2.98 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 0.00 195 S 8.06 4.44 0.00 3.97 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 0.00 196 G 8.92 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.91 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 0.00 198 P 0.00 5.08 0.00 2.35 2.40 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 199 V 8.71 4.57 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 0.84 0.00 0.00 0.51 0.00 0.00 200 V 8.77 4.89 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 0.72 0.00 0.00 0.65 0.00 0.00 201 C 8.88 5.11 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.83 3.62 0.00 3.94 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 0.00 203 G 8.45 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 0.00 204 K 7.61 4.67 0.00 1.80 1.64 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 *209 L 8.27 4.34 0.00 1.50 1.65 1.03 0.77 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 0.00 210 Q 8.80 4.50 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.43 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 211 G 8.06 5.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.19 5.27 1.92 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 1.29 0.98 0.95 0.00 0.00 213 V 8.89 3.87 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 1.03 0.00 0.00 1.14 0.00 0.00 214 S 8.53 4.82 0.00 4.00 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 0.00 215 W 7.34 4.94 0.00 3.31 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 0.00 216 G 8.36 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 0.00 0.00 0.00 217 S 8.44 4.63 0.00 4.28 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 *219 G 8.07 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 0.00 220 C 8.12 4.90 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 A 9.31 3.93 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 221A Q 7.50 4.50 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 222 K 8.50 4.22 0.00 1.77 1.62 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.05 7.81 223 N 9.03 4.36 0.00 2.82 2.90 0.00 0.00 6.78 8.25 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 0.00 224 K 7.66 4.21 0.00 1.87 1.79 0.00 1.73 0.00 0.00 1.28 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 225 P 0.00 4.66 0.00 2.12 2.10 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 226 G 8.53 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 0.00 227 V 7.58 4.42 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 0.00 0.00 0.32 0.00 0.00 -0.72 0.00 0.00 228 Y 8.08 4.98 0.00 1.43 2.30 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 0.00 229 T 8.61 4.30 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 1.16 0.00 0.00 230 K 9.25 5.06 0.00 2.13 1.92 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.65 7.81 231 V 8.94 3.97 2.35 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 1.19 0.00 0.00 1.07 0.00 0.00 232 C 8.33 4.42 0.00 3.17 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.14 4.19 0.00 2.36 2.39 0.00 0.00 6.84 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 0.00 234 Y 8.03 4.75 0.00 3.19 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 0.00 235 V 7.80 3.69 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 1.17 0.00 0.00 1.09 0.00 0.00 236 S 8.12 4.13 0.00 3.97 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 0.00 237 W 8.31 4.14 0.00 3.51 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.52 3.30 2.06 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 1.71 1.08 0.80 0.00 0.00 239 K 8.13 3.74 0.00 1.86 1.77 0.00 1.75 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 240 Q 8.03 3.83 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 241 T 7.18 3.48 3.30 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 0.74 0.00 0.00 242 I 7.24 2.67 1.30 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.34 0.27 0.00 0.00 243 A 7.58 4.03 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 0.00 244 S 7.61 4.60 0.00 4.01 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 0.00 245 N 7.96 4.67 0.00 3.06 3.00 0.00 0.00 6.75 7.72 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 * Residues marked with a * may have inaccurate shift predictions.