NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2459 7.8827 121.4458 61.2291 38.6477 173.8040 17 V 4.2884 8.6376 126.3125 61.8887 32.6473 174.5399 18 G 3.9532 8.4558 113.9431 46.6422 0.0000 173.5984 19 G 4.2585 7.7608 110.0756 44.5072 0.0000 172.6765 20 Y 4.9733 7.9520 117.8367 55.4141 42.2243 174.9781 21 T 4.2381 8.5529 117.4179 63.9738 68.4780 175.2254 22 C 4.1861 8.5698 125.3636 60.3655 37.2613 175.2091 23 G 4.0468 8.5714 106.8740 44.6545 0.0000 172.7924 24 A 4.2470 8.5849 126.8475 53.9603 18.6323 176.8280 25 N 4.3012 8.9625 118.6164 54.2311 36.1445 175.3973 26 T 4.1189 7.7759 108.5630 63.0461 69.7689 175.1546 27 V 4.0532 7.1066 122.2445 60.4715 31.2976 173.6428 28 P 4.5094 0.0000 0.0000 63.8911 32.2085 178.1246 29 Y 4.9344 6.8071 116.2615 56.9921 38.8903 174.8286 30 Q 4.5607 7.4188 123.4431 56.2742 29.5687 175.5496 31 V 4.8540 9.0089 119.1030 59.6907 35.8434 174.1871 32 S 4.9339 8.7231 117.5945 56.7435 64.4932 172.7455 33 L 4.6440 8.4666 127.7115 53.5108 43.2291 175.0217 34 N 5.7499 9.0408 122.5743 49.9987 41.8042 175.0232 *37 S 4.3093 8.4321 121.7429 58.3069 64.1214 174.5095 38 G 3.9306 9.1802 108.6970 46.2928 0.0000 172.7764 39 Y 4.5567 6.4590 114.6862 55.9987 40.0526 172.9393 40 H 4.5175 8.8891 121.9147 56.5666 30.3422 174.8618 41 F 5.0826 7.9332 119.0074 56.5892 39.5082 173.5900 42 C 4.7109 6.8807 115.0395 56.2806 44.6700 173.3949 43 G 4.3413 8.7411 109.6784 45.5471 0.0000 172.2164 44 G 4.5443 7.7309 102.9903 46.4289 0.0000 172.6008 45 S 5.3814 8.8087 115.3921 56.4299 66.8539 173.7225 46 L 4.7864 9.2771 128.0063 54.9543 42.3997 177.0792 47 I 4.5231 8.7364 119.3015 60.9297 39.3899 174.6175 48 N 4.8964 7.7104 118.3664 52.3861 41.6794 174.8788 49 S 4.2902 8.7949 116.2444 60.6045 63.2237 175.4666 50 Q 4.4901 8.1976 117.9205 55.1226 29.8993 174.4112 51 W 5.6352 8.2779 117.9186 54.9054 33.7229 174.2033 52 V 4.9278 9.1487 123.7243 61.1749 34.2068 174.1484 53 V 4.8608 8.8364 127.3690 61.8326 33.3657 174.7638 54 S 5.0909 8.9448 120.8705 57.4600 66.3356 172.0910 55 A 4.4996 8.5211 121.0646 51.0297 19.7754 178.6260 56 A 3.8281 8.2471 124.4297 55.1974 18.4479 179.3954 57 H 4.4907 8.3302 110.2497 57.8215 28.6946 175.4699 58 C 4.6924 7.7977 116.9006 57.0799 40.3814 173.1942 59 Y 4.2189 7.7199 122.4828 57.8729 38.7060 175.4041 60 K 3.3508 7.1506 123.8626 55.2519 35.0501 175.2633 61 S 4.2028 7.8952 114.6883 59.1339 63.8067 173.4248 62 G 3.6869 8.4544 107.0750 46.7612 0.0000 173.5973 63 I 4.2814 7.5932 120.0077 60.3163 38.9648 174.9043 64 Q 4.7909 8.9256 128.6103 54.3165 31.2126 174.2957 65 V 4.1800 8.7085 127.2260 62.1452 33.4186 174.6787 66 R 5.0782 8.9244 127.1397 54.7144 32.3649 175.0363 67 L 4.7468 9.1370 124.8717 52.7321 44.7088 177.7239 *69 G 4.1794 8.2703 107.8613 45.3384 0.0000 172.7004 70 E 4.3728 8.2333 118.6100 55.5560 29.8275 174.1447 71 D 4.8847 7.9928 118.5510 55.3445 44.6008 174.5845 72 N 5.0476 9.1596 120.8748 52.8890 39.0595 176.2674 73 I 3.7363 8.4349 120.0989 62.3809 37.8128 176.3129 74 N 4.7947 8.5691 117.9145 52.9843 39.1964 174.7228 75 V 4.3167 7.4626 118.1755 60.6725 34.3256 174.9852 76 V 4.0415 8.4920 126.9022 62.8733 31.1227 175.0805 77 E 4.3922 9.6362 127.7218 55.6831 30.5205 176.6119 78 G 3.8123 7.8590 105.5087 45.5077 0.0000 174.2383 79 N 4.8486 8.1227 116.3338 52.8263 39.5837 174.1728 80 E 4.4827 7.7793 117.9897 56.4412 30.7339 176.2628 81 Q 4.4514 9.0901 120.9312 54.2572 32.4854 174.2064 82 F 5.5702 8.8264 123.0500 55.9983 40.9033 175.3281 83 I 4.6708 8.8649 124.7542 59.3795 40.8806 175.4865 84 S 4.6123 8.7284 122.5829 58.1590 64.1874 173.4830 85 A 4.5054 8.4999 125.5484 52.3014 18.1918 177.7544 86 S 4.5124 8.9228 116.4297 59.4309 64.7379 174.5095 87 K 4.6899 7.6656 120.0716 55.0863 35.5444 174.6250 88 S 5.3047 8.8112 121.6160 56.9180 66.1876 173.9320 89 I 4.5901 9.2084 124.1711 59.3653 39.8606 174.8342 90 V 4.0677 8.4305 127.2938 62.3965 32.4885 175.1364 91 H 3.5043 8.6780 127.2125 55.8636 30.0301 174.2682 92 P 4.2501 0.0000 0.0000 65.4391 31.0975 177.1567 93 S 4.6649 7.8790 112.0710 57.9294 63.1468 173.1517 94 Y 4.2961 7.9826 123.4090 57.9769 38.8754 174.6304 95 N 4.6269 8.3639 125.8708 51.3322 40.0799 175.1187 96 S 3.7888 7.6151 120.4926 60.1194 63.6493 175.5365 97 N 4.3194 8.1692 119.0104 55.8788 38.2679 176.0819 98 T 3.8820 7.6638 105.2725 60.7387 69.9093 175.1294 99 L 3.7192 7.8629 120.5244 55.1835 39.9720 173.9503 100 N 4.3759 7.7136 118.3161 54.8696 39.3765 174.6282 101 N 4.8204 8.7110 120.6832 54.2374 35.8235 175.4283 102 D 4.6081 7.9527 117.7739 52.9444 39.7172 174.5860 103 I 4.7712 7.0885 121.0126 59.4653 42.2222 172.6152 104 M 5.4866 9.1368 126.3594 54.3271 36.3230 173.2131 105 L 5.3442 9.3088 124.8094 53.2761 44.7287 175.4316 106 I 5.0364 9.1388 123.6845 59.4543 40.4594 174.4408 107 K 3.7117 8.6814 129.1502 55.0061 33.4140 175.7035 108 L 4.4433 8.0981 127.6858 53.9063 42.0489 177.1914 109 K 4.1627 8.7635 124.6069 59.0421 32.6308 177.0673 110 S 4.6058 7.6981 111.4582 55.8482 66.0757 173.1583 111 A 4.3539 8.4000 123.5154 51.8105 18.6339 177.5095 112 A 4.2309 8.8214 124.8379 52.0322 19.5020 177.0997 113 S 4.4314 9.0212 116.2303 57.3900 63.0896 173.6611 114 L 4.7451 8.4686 127.8272 53.8778 43.3236 175.8856 115 N 4.7673 8.6851 121.4687 52.8580 42.1340 175.2447 116 S 4.2403 8.8506 113.5127 62.3696 63.2629 175.6070 117 R 4.1816 7.8651 117.5944 56.7265 30.6158 176.3337 118 V 4.5450 7.5639 116.8753 60.8868 34.0866 173.7490 119 A 5.1191 8.5684 127.5511 50.6143 22.9067 175.3311 120 S 4.9386 8.7075 114.3962 58.0196 64.6945 173.0858 121 I 4.3578 8.3074 122.0966 59.1755 39.1268 175.6262 122 S 4.3491 8.4373 124.7613 58.5078 63.9382 173.9429 123 L 4.2567 8.3759 123.4622 53.6558 42.3074 175.3347 124 P 4.5346 0.0000 0.0000 63.1279 32.6552 176.0916 125 T 4.1623 8.3204 115.5024 64.9702 69.7844 175.3224 *127 S 4.8924 7.5244 112.5388 58.0175 64.0304 174.1370 128 C 4.4133 8.4104 118.4643 56.7403 40.6846 173.5051 129 A 4.3493 7.9530 124.2890 51.7109 19.4230 177.2361 130 S 4.3744 8.0955 115.2359 57.1087 64.4364 173.7564 *132 A 4.2265 8.3080 125.9967 53.4100 19.2963 177.0322 133 G 3.9966 8.9622 111.4849 45.3802 0.0000 174.2250 134 T 4.0098 7.6175 117.4806 63.6632 69.5857 173.6911 135 Q 4.6441 8.6501 125.4407 55.7895 29.5185 176.0728 136 C 5.1164 9.3202 121.7744 55.0781 45.2351 172.5084 137 L 5.0856 8.9447 123.0189 53.7205 43.5751 175.0122 138 I 5.2692 9.0683 127.8103 58.8727 39.7962 175.0002 139 S 4.8675 8.7308 119.4183 56.3517 66.5543 173.1400 140 G 3.7559 7.4654 108.1625 46.2766 0.0000 172.9145 141 W 4.5706 8.5883 117.0492 56.2789 29.3772 176.9580 142 G 4.0892 8.5278 109.2890 44.3451 0.0000 173.5479 143 N 3.6791 8.3743 118.3579 54.1192 38.9646 174.5768 144 T 5.1529 8.2164 113.2839 60.5817 69.5180 174.3666 145 K 4.5867 7.6985 121.4446 54.7361 34.5640 176.2295 146 S 4.2918 8.7235 117.6426 60.3159 62.6849 174.1890 147 S 4.5264 8.1957 115.8334 58.5276 64.8806 173.6888 148 G 3.8684 9.8431 113.1260 44.3328 0.0000 171.3066 149 T 4.7892 7.9445 114.2969 62.1819 72.5317 174.0155 150 S 4.5280 9.2747 120.8808 57.6321 66.2729 172.2511 151 Y 4.8773 8.7506 125.3920 55.5367 39.5908 174.2058 152 P 4.6875 0.0000 0.0000 62.4461 32.9601 175.6605 153 D 4.6538 8.6936 118.2302 56.0234 41.6527 177.2550 154 V 5.2138 7.4315 110.1462 58.7448 34.0491 175.9027 155 L 3.1442 8.3459 124.2074 54.9416 42.9026 176.0738 156 K 4.8387 8.1503 125.0869 54.9814 35.1910 174.5789 157 C 5.2074 8.4250 118.9117 55.2398 43.4108 172.9727 158 L 5.0567 8.6808 122.4348 53.7239 45.5352 174.7457 159 K 5.1215 9.0643 125.4316 55.4467 33.5022 175.9296 160 A 4.8608 9.0588 126.2670 49.8130 23.1616 173.3255 161 P 5.0120 0.0000 0.0000 61.7834 33.7554 175.4223 162 I 4.3699 8.4057 123.2948 61.7055 37.9756 175.6732 163 L 4.8382 8.7923 127.3526 53.2346 43.2893 177.0444 164 S 4.2886 8.5110 115.3117 58.2703 63.8678 174.8942 165 D 4.4007 8.7657 121.1563 57.6436 40.8634 178.8407 166 S 4.1818 8.0077 114.4258 61.3414 63.1999 176.2852 167 S 4.0526 8.1073 116.8263 61.1907 62.2574 175.3211 168 C 4.3279 8.3651 121.2126 59.7923 42.7813 175.7865 169 K 4.0046 8.2909 120.0552 59.5162 31.3531 179.5650 170 S 4.1862 8.2070 114.8521 61.4814 62.7655 176.2546 171 A 3.9958 7.8314 122.7380 53.8705 19.6962 177.4070 172 Y 4.7922 7.7872 113.4678 55.3883 38.4707 172.9563 173 P 4.6015 0.0000 0.0000 63.4436 32.2975 177.6291 174 G 4.0482 9.1469 110.7204 45.7253 0.0000 173.5088 175 Q 4.5510 8.1182 116.3984 55.4122 30.7894 175.4845 176 I 4.3315 7.8927 119.5090 60.2148 37.9319 175.6761 177 T 4.4955 8.2907 116.1922 59.9153 70.4949 175.5098 178 S 4.3645 8.5313 115.1244 60.2987 63.1318 174.3723 179 N 4.9632 8.2808 118.9155 53.3949 38.4828 173.8844 180 M 5.6326 7.9351 116.9637 53.7223 36.0581 174.6558 181 F 5.1380 8.8262 115.3118 55.7307 42.1586 172.6724 182 C 5.7996 9.2160 116.4031 55.2382 40.9717 172.5781 183 A 5.0712 9.0547 121.9679 50.8994 22.3420 174.3330 184A G 3.8897 7.2317 106.2492 44.4795 0.0000 174.3816 184 Y 4.5618 8.4651 121.5782 56.1383 41.1893 176.0250 185 L 4.1143 8.7041 126.0781 57.4248 41.9851 179.1281 186 E 4.0795 8.1941 115.2386 57.1961 29.8928 177.5427 187 G 3.8917 7.6126 105.8034 45.3343 0.0000 172.9344 188A G 4.0116 9.5915 106.2547 44.6911 0.0000 173.5418 188 K 5.0718 7.3331 117.5011 55.1973 35.4583 175.1494 189 D 4.6969 8.8309 123.2988 53.5418 45.4960 174.9451 190 S 4.8728 8.2216 114.4890 58.3118 64.6994 171.9153 191 C 4.8265 9.4605 119.5278 54.9380 47.4411 172.6085 192 Q 4.2708 8.6650 119.3013 58.1002 28.4750 178.4280 193 G 4.2044 9.3165 110.7134 45.6624 0.0000 173.9312 194 D 4.6803 8.4970 118.6800 55.2525 41.6425 176.6213 195 S 4.4774 8.0899 115.3528 60.4822 63.4677 175.5685 196 G 4.0231 8.9472 112.8139 46.4043 0.0000 173.7006 197 G 4.5187 7.8988 107.6133 44.7207 0.0000 171.1664 198 P 5.0850 0.0000 0.0000 62.3689 33.4212 175.6629 199 V 4.5693 8.7388 121.7745 61.4257 34.0330 174.1176 200 V 4.8647 8.7201 128.9042 61.2911 34.0445 173.6849 201 C 5.1249 8.8173 124.6493 55.6977 43.8595 174.6181 202 S 3.7278 9.7719 120.3410 59.7241 60.1351 173.0641 203 G 3.9273 8.3353 103.2792 45.8711 0.0000 173.6855 204 K 4.6804 7.6181 117.5463 52.9128 35.4143 175.6251 *209 L 4.2681 8.2534 122.4333 55.4817 42.0060 175.7982 210 Q 4.5320 8.8740 125.8970 56.4994 30.9644 175.8641 211 G 5.3160 8.0579 104.4851 45.6663 0.0000 171.3969 212 I 5.2694 8.2220 119.7880 58.8391 41.1023 175.2505 213 V 3.9396 8.9151 127.1657 64.0640 31.8270 174.2499 214 S 4.8720 8.4402 120.4773 58.6518 64.3598 173.8808 215 W 4.7592 7.1471 114.1319 56.4229 31.4011 172.7623 216 G 3.6945 8.0163 106.8646 46.5023 0.0000 174.0937 217 S 4.4098 8.0427 116.9136 56.4775 64.0339 173.2394 *219 G 4.2475 8.0587 117.6377 45.4800 0.0000 170.4412 220 C 4.9310 8.0873 115.8748 56.3878 45.0711 173.9581 221A A 4.3621 9.4436 126.1700 53.1812 16.5409 176.9867 221 Q 4.5150 7.3485 117.2139 55.9952 29.7773 175.8126 222 K 4.0680 8.4735 121.8603 58.2567 32.5486 176.2043 223 N 4.2724 9.3329 121.6342 54.0270 36.9936 175.3164 224 K 4.3187 7.5495 116.6772 53.9040 32.3080 173.7611 225 P 4.6257 0.0000 0.0000 61.8728 33.2815 177.6590 226 G 3.5257 8.4038 107.3519 46.3069 0.0000 172.6463 227 V 4.3284 7.6212 122.3145 60.6289 34.1091 174.0588 228 Y 4.9444 8.0813 124.3836 55.9227 42.0244 175.0625 229 T 4.3131 8.5809 120.4850 63.7564 70.0016 174.1346 230 K 5.1210 9.3898 128.2671 55.4005 31.5167 177.2575 231 V 3.9864 8.9201 126.7077 65.8113 31.7390 174.8826 232 C 4.4393 8.4207 113.6129 58.5482 41.0956 175.0392 233 N 4.2101 8.0375 116.8786 54.5460 38.4520 175.5612 234 Y 4.7837 8.0248 117.7648 57.6247 38.8435 177.4577 235 V 3.7027 7.5631 120.5335 66.0002 31.5268 177.8792 236 S 4.0811 8.0883 112.5671 61.0573 62.3215 175.7724 237 W 4.1549 8.3055 130.6346 60.4296 30.4725 177.8216 238 I 2.9698 8.3169 120.1207 64.1532 36.5652 178.5125 239 K 3.7597 8.1140 119.4246 59.6428 31.6499 179.5121 240 Q 3.9283 7.9040 117.2231 59.0496 28.9255 178.6294 241 T 3.7508 7.5442 117.1614 66.3832 68.1841 176.9318 242 I 3.0049 7.0981 113.5920 63.1379 37.5777 177.4360 243 A 4.2396 7.5568 120.7623 53.3229 18.3976 177.7293 244 S 4.6961 7.5768 111.0414 57.8117 64.6374 173.9998 245 N 4.6813 8.0151 123.4903 53.6627 39.4896 174.1344 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 1.78 0.00 0.00 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 1.38 0.50 0.86 0.00 0.00 17 V 8.64 4.29 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 0.92 0.00 0.00 0.94 0.00 0.00 18 G 8.46 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 19 G 7.76 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 0.00 0.00 0.00 0.00 20 Y 7.95 4.97 0.00 2.96 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 8.55 4.24 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 1.21 0.00 0.00 22 C 8.57 4.19 0.00 2.71 3.02 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 23 G 8.57 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.58 4.25 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.96 4.30 0.00 2.90 2.95 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 7.78 4.12 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 1.24 0.00 0.00 27 V 7.11 4.05 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 0.23 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.51 0.00 2.37 2.38 0.00 3.67 0.00 0.00 3.75 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 6.81 4.93 0.00 3.28 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.42 4.56 0.00 1.76 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.71 0.00 0.00 0.00 0.00 0.00 1.90 2.50 0.00 31 V 9.01 4.85 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 0.88 0.00 0.00 1.03 0.00 0.00 32 S 8.72 4.93 0.00 3.00 3.32 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 33 L 8.47 4.64 0.00 0.49 1.05 0.83 0.14 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 34 N 9.04 5.75 0.00 2.51 2.46 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 8.43 4.31 0.00 3.65 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 9.18 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 39 Y 6.46 4.56 0.00 3.14 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 40 H 8.89 4.52 0.00 2.90 3.21 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.93 5.08 0.00 3.13 3.25 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 42 C 6.88 4.71 0.00 2.09 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 43 G 8.74 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 7.73 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.81 5.38 0.00 3.82 3.84 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 46 L 9.28 4.79 0.00 1.87 1.68 1.09 1.00 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 47 I 8.74 4.52 1.90 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 1.36 0.93 0.95 0.00 0.00 48 N 7.71 4.90 0.00 2.90 2.99 0.00 0.00 6.95 7.14 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 49 S 8.79 4.29 0.00 4.22 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 0.00 50 Q 8.20 4.49 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 51 W 8.28 5.64 0.00 3.24 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 52 V 9.15 4.93 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 1.03 0.00 0.00 0.99 0.00 0.00 53 V 8.84 4.86 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 1.04 0.00 0.00 1.01 0.00 0.00 54 S 8.94 5.09 0.00 3.91 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 8.52 4.50 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 56 A 8.25 3.83 0.26 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 57 H 8.33 4.49 0.00 3.40 3.60 0.00 5.55 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 58 C 7.80 4.69 0.00 3.22 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 59 Y 7.72 4.22 0.00 2.97 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 60 K 7.15 3.35 0.00 1.42 1.26 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 0.98 7.81 61 S 7.90 4.20 0.00 3.97 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 62 G 8.45 3.69 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 0.00 0.00 0.00 63 I 7.59 4.28 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.92 0.00 0.00 64 Q 8.93 4.79 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 65 V 8.71 4.18 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 0.98 0.00 0.00 0.90 0.00 0.00 66 R 8.92 5.08 0.00 1.65 1.75 0.00 2.65 0.00 0.00 2.50 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.18 0.00 67 L 9.14 4.75 0.00 1.66 1.62 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.27 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 0.00 0.00 0.00 0.00 70 E 8.23 4.37 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.07 0.00 71 D 7.99 4.88 0.00 2.79 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 72 N 9.16 5.05 0.00 2.83 2.82 0.00 0.00 7.17 7.94 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 73 I 8.43 3.74 1.42 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.51 -0.55 0.00 0.00 74 N 8.57 4.79 0.00 2.83 2.88 0.00 0.00 6.63 8.05 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 75 V 7.46 4.32 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 0.78 0.00 0.00 0.99 0.00 0.00 76 V 8.49 4.04 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 0.84 0.00 0.00 0.96 0.00 0.00 77 E 9.64 4.39 0.00 1.96 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 7.86 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 79 N 8.12 4.85 0.00 2.74 2.81 0.00 0.00 7.15 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 7.78 4.48 0.00 1.48 1.57 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 0.00 2.45 2.46 0.00 81 Q 9.09 4.45 0.00 1.98 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 2.23 2.29 0.00 82 F 8.83 5.57 0.00 2.80 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 83 I 8.86 4.67 1.87 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 1.24 0.87 0.91 0.00 0.00 84 S 8.73 4.61 0.00 3.75 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 85 A 8.50 4.51 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 86 S 8.92 4.51 0.00 3.77 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 87 K 7.67 4.69 0.00 1.79 1.57 0.00 1.78 0.00 0.00 1.94 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.53 7.81 88 S 8.81 5.30 0.00 4.00 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 89 I 9.21 4.59 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.03 1.18 0.00 0.00 90 V 8.43 4.07 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 0.72 0.00 0.00 0.87 0.00 0.00 91 H 8.68 3.50 0.00 2.81 3.02 0.00 5.65 0.00 0.00 0.00 0.00 6.61 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 4.25 0.00 2.16 2.17 0.00 2.35 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 93 S 7.88 4.66 0.00 3.92 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 94 Y 7.98 4.30 0.00 3.02 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 95 N 8.36 4.63 0.00 2.56 2.43 0.00 0.00 6.57 7.05 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 96 S 7.62 3.79 0.00 3.96 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 97 N 8.17 4.32 0.00 2.76 2.78 0.00 0.00 6.91 7.13 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 98 T 7.66 3.88 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 1.08 0.00 0.00 99 L 7.86 3.72 0.00 1.14 1.81 0.53 1.41 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 0.00 100 N 7.71 4.38 0.00 2.79 2.65 0.00 0.00 7.24 6.64 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 0.00 101 N 8.71 4.82 0.00 3.04 2.59 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 7.95 4.61 0.00 3.05 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 7.09 4.77 1.43 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 1.39 1.26 0.04 0.00 0.00 104 M 9.14 5.49 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 105 L 9.31 5.34 0.00 1.69 1.80 -0.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.14 5.04 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.98 0.91 0.00 0.00 107 K 8.68 3.71 0.00 0.79 1.13 0.00 1.14 0.00 0.00 1.34 0.00 0.00 2.59 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.76 0.21 7.81 108 L 8.10 4.44 0.00 1.43 1.57 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.76 4.16 0.00 1.80 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.35 7.81 110 S 7.70 4.61 0.00 3.92 3.72 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 0.00 111 A 8.40 4.35 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 0.00 112 A 8.82 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 9.02 4.43 0.00 3.88 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 0.00 114 L 8.47 4.75 0.00 1.69 1.62 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.69 4.77 0.00 2.71 2.68 0.00 0.00 6.36 7.11 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 0.00 116 S 8.85 4.24 0.00 3.99 4.01 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 0.00 117 R 7.87 4.18 0.00 1.83 2.03 0.00 3.22 0.00 0.00 3.16 7.35 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.52 4.89 0.00 3.97 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 0.00 128 C 8.41 4.41 0.00 2.94 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 0.00 129 A 7.95 4.35 1.01 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 0.00 0.00 130 S 8.10 4.37 0.00 3.83 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 *132 A 8.31 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 0.00 133 G 8.96 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 0.00 0.00 0.00 134 T 7.62 4.01 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 1.16 0.00 0.00 135 Q 8.65 4.64 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 136 C 9.32 5.12 0.00 2.75 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 0.00 137 L 8.94 5.09 0.00 1.76 1.58 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.07 5.27 1.86 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 0.72 1.57 0.99 0.00 0.00 139 S 8.73 4.87 0.00 3.50 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 7.47 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 0.00 141 W 8.59 4.57 0.00 3.12 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 0.00 142 G 8.53 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 0.00 143 N 8.37 3.68 0.00 2.18 2.56 0.00 0.00 7.13 8.43 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 0.00 144 T 8.22 5.15 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 1.25 0.00 0.00 145 K 7.70 4.59 0.00 1.84 1.86 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.29 7.81 146 S 8.72 4.29 0.00 3.83 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 0.00 147 S 8.20 4.53 0.00 3.85 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 0.00 148 G 9.84 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 0.00 0.00 0.00 149 T 7.94 4.79 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 150 S 9.27 4.53 0.00 3.84 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 8.75 4.88 0.00 2.94 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 P 0.00 4.69 0.00 2.43 2.08 0.00 4.11 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.01 0.00 153 D 8.69 4.65 0.00 2.80 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 7.43 5.21 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 1.09 0.00 0.00 0.96 0.00 0.00 155 L 8.35 3.14 0.00 1.30 1.22 -0.80 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.15 4.84 0.00 1.65 1.49 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 157 C 8.43 5.21 0.00 1.34 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 0.00 0.00 0.00 0.00 158 L 8.68 5.06 0.00 1.71 1.46 1.02 1.18 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 9.06 5.12 0.00 1.80 1.82 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.56 7.81 160 A 9.06 4.86 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 5.01 0.00 2.02 2.09 0.00 3.08 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 162 I 8.41 4.37 1.92 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.89 0.00 0.00 163 L 8.79 4.84 0.00 1.55 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.51 4.29 0.00 4.01 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 0.00 165 D 8.77 4.40 0.00 2.84 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.01 4.18 0.00 4.10 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 0.00 167 S 8.11 4.05 0.00 3.94 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 0.00 168 C 8.37 4.33 0.00 3.23 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 8.29 4.00 0.00 1.90 1.89 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.53 1.64 7.81 170 S 8.21 4.19 0.00 3.99 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 0.00 171 A 7.83 4.00 1.09 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 0.00 172 Y 7.79 4.79 0.00 3.08 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 0.00 173 P 0.00 4.60 0.00 2.08 2.04 0.00 3.81 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 174 G 9.15 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.12 4.55 0.00 2.51 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 176 I 7.89 4.33 1.98 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 1.82 0.91 1.00 0.00 0.00 177 T 8.29 4.50 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 1.25 0.00 0.00 178 S 8.53 4.36 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.28 4.96 0.00 3.09 3.12 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 0.00 180 M 7.94 5.63 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 181 F 8.83 5.14 0.00 3.14 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 0.00 182 C 9.22 5.80 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 9.05 5.07 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 184A G 7.23 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 0.00 184 Y 8.47 4.56 0.00 2.99 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 0.00 185 L 8.70 4.11 0.00 1.73 1.73 0.92 0.86 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 8.19 4.08 0.00 2.10 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 0.00 2.33 2.27 0.00 187 G 7.61 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 188A G 9.59 4.01 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 0.00 0.00 0.00 188 K 7.33 5.07 0.00 1.40 1.67 0.00 0.83 0.00 0.00 0.91 0.00 0.00 2.57 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.19 7.81 189 D 8.83 4.70 0.00 2.83 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 8.22 4.87 0.00 4.09 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 0.00 191 C 9.46 4.83 0.00 2.92 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 0.00 192 Q 8.66 4.27 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.15 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 193 G 9.32 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 0.00 0.00 0.00 194 D 8.50 4.68 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 0.00 195 S 8.09 4.48 0.00 4.00 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 0.00 196 G 8.95 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 0.00 0.00 0.00 197 G 7.90 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 5.08 0.00 2.34 2.39 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 199 V 8.74 4.57 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.53 0.00 0.00 200 V 8.72 4.86 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 0.77 0.00 0.00 0.71 0.00 0.00 201 C 8.82 5.12 0.00 2.79 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.77 3.73 0.00 3.93 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 0.00 203 G 8.34 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 0.00 204 K 7.62 4.68 0.00 1.71 1.64 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.40 7.81 *209 L 8.25 4.27 0.00 1.50 1.65 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.87 4.53 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.42 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 211 G 8.06 5.32 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 0.00 212 I 8.22 5.27 1.94 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 1.31 0.98 0.96 0.00 0.00 213 V 8.92 3.94 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 1.06 0.00 0.00 1.23 0.00 0.00 214 S 8.44 4.87 0.00 4.02 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 0.00 215 W 7.15 4.76 0.00 3.36 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 8.02 3.69 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 0.00 0.00 0.00 217 S 8.04 4.41 0.00 4.10 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 *219 G 8.06 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 0.00 0.00 0.00 0.00 220 C 8.09 4.93 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 221A A 9.44 4.36 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 0.00 221 Q 7.35 4.51 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 222 K 8.47 4.07 0.00 1.71 1.72 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 223 N 9.33 4.27 0.00 2.81 2.81 0.00 0.00 6.79 7.61 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 0.00 224 K 7.55 4.32 0.00 1.64 1.75 0.00 1.35 0.00 0.00 1.23 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.46 7.81 225 P 0.00 4.63 0.00 2.24 2.10 0.00 3.67 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 2.01 0.00 226 G 8.40 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 0.00 0.00 0.00 227 V 7.62 4.33 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 0.39 0.00 0.00 -0.80 0.00 0.00 228 Y 8.08 4.94 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 8.58 4.31 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 230 K 9.39 5.12 0.00 2.13 1.92 0.00 1.79 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.53 1.62 7.81 231 V 8.92 3.99 2.36 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 1.16 0.00 0.00 1.14 0.00 0.00 232 C 8.42 4.44 0.00 3.19 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 233 N 8.04 4.21 0.00 2.30 2.34 0.00 0.00 6.85 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 0.00 234 Y 8.02 4.78 0.00 3.27 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 0.00 235 V 7.56 3.70 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 1.09 0.00 0.00 1.03 0.00 0.00 236 S 8.09 4.08 0.00 3.96 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 0.00 237 W 8.31 4.15 0.00 3.54 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 0.00 238 I 8.32 2.97 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 0.69 0.00 0.00 239 K 8.11 3.76 0.00 1.78 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.55 7.81 240 Q 7.90 3.93 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 241 T 7.54 3.75 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 242 I 7.10 3.00 1.06 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 1.36 0.26 -0.61 0.00 0.00 243 A 7.56 4.24 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 0.00 244 S 7.58 4.70 0.00 3.80 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 0.00 245 N 8.02 4.68 0.00 3.04 2.99 0.00 0.00 6.88 7.56 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 * Residues marked with a * may have inaccurate shift predictions.