NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3519 8.4449 121.4724 55.5510 30.7944 175.6805 4 L 3.8540 8.5234 121.6639 56.5493 41.7314 176.1204 5 I 4.0452 8.4005 120.5981 59.6730 38.2880 175.3798 6 K 4.4846 8.2480 125.3677 54.7845 33.6961 176.7176 7 E 4.2740 8.8102 119.8600 58.7488 29.6974 175.9375 8 N 5.4467 8.0801 114.7123 51.6637 41.3669 174.0768 9 M 5.0068 8.9557 121.6254 53.9129 36.5985 174.1485 10 H 5.3262 8.8307 117.4273 54.3012 32.4669 173.1946 11 M 5.1154 8.9863 118.1072 53.4634 34.6300 174.4256 12 K 5.0291 8.8595 120.0045 54.6103 36.3864 174.9436 13 L 5.2338 8.6364 124.4154 53.6100 46.2547 174.4741 14 Y 5.3232 9.1088 122.0400 56.4657 41.5091 174.2761 15 M 5.4601 9.7147 123.6027 53.8810 36.0455 173.6645 16 E 4.5622 8.7629 122.1389 54.7426 33.7542 175.6121 17 G 4.4282 6.7157 105.8372 46.1420 0.0000 171.6157 18 T 5.2000 7.5555 108.5493 59.8822 72.1019 172.7746 19 V 4.6193 8.5829 122.8630 62.5282 33.8765 175.4156 20 N 4.2718 9.8177 125.1556 54.5360 36.6573 174.3854 21 N 4.2114 8.3618 111.3946 54.4150 37.9112 172.6912 22 H 4.8813 8.3521 115.3643 54.4590 29.8943 174.1082 23 H 5.1260 8.9188 124.4635 56.3862 31.3235 173.8286 24 F 5.1737 8.2737 118.0800 56.0114 41.8433 172.8847 25 K 5.1610 9.2091 118.0378 55.0103 36.4578 175.3884 26 C 5.7534 10.0377 121.3228 58.3750 32.7488 173.2030 27 T 5.3240 8.9326 111.6988 60.3094 72.1254 172.7393 28 S 5.1813 8.6425 116.0630 57.2523 66.9410 172.6192 29 E 5.0858 8.9206 117.9702 55.1917 33.2794 175.0827 30 G 4.8081 8.8336 106.8148 46.1402 0.0000 170.9425 31 E 5.0949 8.2659 115.8822 55.3545 33.6684 174.0442 32 G 4.0743 8.3009 106.3937 46.1022 0.0000 172.4424 33 K 5.1840 8.4976 119.3852 53.3508 32.8881 176.2570 34 P 4.2935 0.0000 0.0000 64.6337 31.5086 177.4190 35 Y 4.3502 7.9086 114.2108 58.8313 38.6507 176.1830 36 E 4.2810 8.3839 117.3130 56.3844 30.4424 176.8244 37 G 4.4400 8.5952 107.8019 45.7553 0.0000 172.6078 38 T 5.2325 7.6133 108.7161 59.7909 72.0030 172.6273 39 Q 4.8840 8.1436 118.9783 55.7007 32.3617 173.0267 40 T 5.0541 8.7940 117.3546 62.1516 72.7476 172.8430 41 M 5.0801 9.2369 124.7030 53.5581 36.4289 174.6910 42 R 4.7976 8.9150 122.3283 54.7986 32.3029 175.2003 43 I 4.8828 8.4557 125.5587 59.2598 40.6419 174.9828 44 K 5.1329 9.1918 124.9165 54.5667 35.5713 175.5434 45 V 4.5109 8.8036 125.9628 62.9873 31.2222 175.8824 46 V 4.4049 8.7199 121.4333 61.7459 33.3331 175.9872 47 E 4.5446 8.1231 120.9419 55.5123 33.0745 175.6042 48 G 4.0274 8.5896 113.0566 46.5721 0.0000 173.6653 49 G 3.9611 7.8133 107.7646 43.4427 0.0000 172.3241 50 P 4.4088 0.0000 0.0000 61.6985 32.2572 176.3972 51 L 3.7376 8.1488 121.4473 54.4111 41.8530 175.7528 52 P 4.6302 0.0000 0.0000 62.7240 31.2945 175.4120 53 F 4.9000 6.5003 111.1786 54.6415 41.1193 174.0492 54 A 3.9499 9.0958 124.7525 52.5439 18.3529 178.2270 55 F 3.8941 9.1399 125.5073 62.1681 38.7869 176.6402 56 D 4.7217 8.5663 118.0597 57.7598 40.3635 178.6807 57 I 4.4981 7.7304 112.8111 62.2577 38.0277 177.1647 58 L 4.3451 8.1838 120.2935 55.0860 41.5482 178.1053 59 A 4.4688 8.0758 123.3456 55.6919 18.3938 179.2918 60 T 4.1119 7.7883 101.9530 62.6973 69.1687 175.2314 61 S 4.8542 7.9375 118.1667 60.1177 63.4958 174.8257 62 F 4.6149 7.6645 117.9802 58.2566 39.1174 176.3118 *66 S 4.2571 7.8017 113.6645 58.5438 62.3651 174.1607 67 Y 3.7401 7.8388 120.7418 60.9531 38.3836 179.1828 68 T 4.1119 8.5354 115.7425 66.3349 68.9067 174.1122 69 F 4.6980 8.2804 119.7128 57.7026 39.5179 174.9578 70 I 4.7651 7.0983 120.7184 59.4340 38.7774 175.8347 71 N 4.4390 8.9877 126.2992 54.6280 39.1546 173.1707 72 H 4.6802 8.7225 124.3895 54.9736 28.1907 175.4406 73 T 4.1417 8.1146 114.8837 61.2885 70.9959 174.6187 74 Q 3.2562 8.5347 119.2269 57.4533 27.2773 174.8311 75 G 3.9188 8.7687 111.7260 46.6213 0.0000 173.2996 76 I 3.5745 6.9738 121.0501 59.8837 36.9030 174.3883 77 P 4.0780 0.0000 0.0000 62.9472 31.7741 175.9913 78 D 4.3908 8.3125 122.5026 52.3517 40.5442 176.1268 79 F 3.8366 8.3517 129.0015 60.8519 39.3494 176.4704 80 F 3.8865 7.6170 116.7750 60.2917 38.6957 177.9163 81 K 4.3322 8.5136 118.0451 59.7369 31.6142 179.5242 82 Q 4.1483 8.0401 117.6643 58.5865 28.7833 178.5095 83 S 3.9955 7.6812 115.0084 59.6775 63.1039 174.4782 84 F 4.7366 7.0197 120.3066 56.4934 39.3519 173.9417 85 P 4.7107 0.0000 0.0000 65.5546 31.7167 177.6729 86 E 3.9630 8.2077 118.0403 57.3080 30.0358 178.1397 87 G 3.2306 8.8780 107.4328 44.5848 0.0000 171.3228 88 F 5.4187 7.6208 113.4941 56.0830 42.0936 173.2464 89 T 5.2811 9.7912 108.8273 59.6284 72.0561 172.9944 90 W 5.8767 8.6278 119.2693 54.8911 31.9169 173.8338 91 E 5.3260 9.3518 118.8565 55.1464 33.1132 174.1684 92 R 5.8528 9.4908 120.1581 55.0866 34.5759 173.7642 93 V 4.9557 8.4182 123.2901 60.2408 34.3894 174.1016 94 T 4.9809 9.0732 122.4184 62.0714 70.8457 173.4235 95 T 4.7871 8.7196 124.1990 61.9567 70.9369 173.5109 96 Y 4.5735 8.9896 125.3415 57.3389 39.0217 177.0773 97 E 4.1982 9.1953 122.6012 58.4606 29.7997 177.5091 98 D 4.7699 8.1681 117.3163 52.9790 39.8251 175.9608 99 G 3.9301 8.1311 113.2373 46.4031 0.0000 175.8045 100 G 2.2696 7.8041 106.9851 45.8397 0.0000 172.7995 101 V 4.9254 8.1134 122.3289 60.7188 35.0002 173.8065 102 L 5.3887 9.3905 130.3036 53.6067 44.8400 174.9571 103 T 5.2171 9.2089 117.1510 60.3505 71.2970 173.6152 104 A 5.2611 8.9380 124.6133 50.7738 23.2983 175.0749 105 T 4.6659 8.5271 116.2969 61.7945 73.0736 172.9751 106 Q 4.5299 8.5622 126.8044 54.0340 32.8131 172.8936 107 D 5.1014 9.0384 125.5415 52.7047 44.0084 174.6451 108 T 5.2058 8.9299 123.0364 61.8777 70.9645 173.5628 109 S 5.0408 9.2424 120.2962 56.4813 67.5838 172.6622 110 L 5.0550 8.6996 120.9869 53.3515 44.1679 175.5322 111 Q 4.3924 8.2437 124.6197 55.0900 30.4627 175.0875 112 D 4.2011 9.5522 123.9925 55.2391 39.2973 174.9249 113 G 3.9652 8.3080 104.6064 45.6870 0.0000 172.6387 114 C 4.8682 7.4239 120.0617 57.1345 34.4644 172.9282 115 L 4.4734 8.8151 126.6384 54.8104 42.6760 175.8618 116 I 4.9063 8.9290 124.6573 59.7080 40.2129 173.9727 117 Y 5.4711 8.8717 124.8381 56.2918 40.7259 174.1508 118 N 5.4255 9.3316 123.4989 51.9207 41.7171 173.1175 119 V 4.7147 9.0222 126.7599 60.9053 34.9024 174.2377 120 K 5.0596 8.8804 126.6058 54.6158 35.5382 175.0732 121 I 5.0479 8.3535 124.0960 59.5214 41.0423 174.6986 122 R 4.6617 9.4247 126.7623 54.8801 32.9622 173.6225 123 G 4.7434 9.2810 114.7305 44.7215 0.0000 171.6262 124 V 4.8448 8.6432 115.6006 60.0291 36.8486 174.6429 125 N 4.3894 8.8710 117.7533 54.6517 37.0248 173.8123 126 F 4.2550 8.4128 115.6925 56.0382 39.3509 175.9279 127 T 4.0406 8.5208 116.5508 61.3921 69.1226 175.4396 128 S 4.2251 8.9128 120.8619 60.6835 63.0088 174.6109 129 N 4.7353 8.0513 115.3823 52.3739 37.8626 175.3346 130 G 4.0183 8.0652 108.8146 43.0202 0.0000 172.8887 131 P 4.2986 0.0000 0.0000 65.5858 31.0882 178.9868 132 V 3.4553 7.6339 117.6207 66.3320 31.4435 177.8578 133 M 4.4135 7.9526 116.2012 57.7668 32.0513 177.6544 134 Q 4.2171 8.0457 115.8165 54.8103 30.0093 175.4577 135 K 3.8416 7.7974 118.2070 57.9691 29.5112 175.2437 136 K 4.7917 8.5005 112.5985 56.6707 33.1643 177.5900 137 T 5.0163 7.9663 108.4221 59.3587 71.8795 173.2069 138 L 4.6824 8.3524 121.9141 54.5743 42.4383 177.8680 139 G 3.9112 8.9636 105.2912 45.0386 0.0000 172.7130 140 W 5.2655 8.2253 117.8193 55.0003 30.7600 176.7248 141 E 4.4432 9.2468 123.1243 55.8736 29.8802 176.6782 142 A 4.3544 8.5868 122.8689 52.7435 19.3130 176.8877 143 G 4.2647 8.7991 105.3743 45.2835 0.0000 171.7593 144 T 5.1654 8.3971 116.3459 61.5021 71.3959 173.1560 145 E 4.7979 9.4002 127.5199 54.7288 32.3798 173.9068 146 M 4.6035 8.9722 126.4914 53.9255 34.4397 174.4920 147 L 5.3490 8.5928 125.9395 53.1964 45.4351 175.0204 148 Y 5.1046 8.1589 119.0470 54.8580 41.7085 172.4699 149 P 4.7846 0.0000 0.0000 62.9134 32.4538 176.2953 150 A 4.2065 8.8048 125.7276 53.1007 21.4252 176.1976 151 D 4.6643 9.0466 122.7973 55.6466 37.5821 176.1695 152 G 4.1193 8.6408 108.1432 45.2445 0.0000 174.7141 153 G 4.4150 7.5486 108.4109 45.5499 0.0000 172.0164 154 L 5.0328 7.9601 120.9963 52.8633 46.2756 175.7525 155 E 4.7997 8.1545 119.8841 54.4896 33.4790 175.2323 156 G 4.7769 8.5397 107.0351 43.8727 0.0000 171.8770 157 R 5.4350 9.0112 120.2399 54.4353 34.7122 174.4866 158 S 4.9315 8.7859 115.9924 57.2616 67.1647 172.3420 159 D 5.4010 8.6152 120.1151 52.6686 42.9907 175.4714 160 E 4.9025 9.2398 122.5281 54.3809 33.4677 174.8637 161 A 5.1535 8.7658 123.4226 50.2675 21.8898 174.7776 162 L 4.1643 9.0568 126.1041 53.6772 43.6850 176.1537 163 K 4.4017 8.8940 126.8805 56.4246 33.4196 175.9550 164 L 5.0783 8.2876 123.6358 52.3421 44.8307 176.3822 165 V 3.5458 8.3042 122.9051 65.0714 31.6428 176.4513 166 G 3.7951 8.6161 115.2237 44.8708 0.0000 173.7604 167 G 3.7553 7.6751 104.6992 45.9390 0.0000 173.9532 168 G 3.9904 8.9673 105.0398 45.3206 0.0000 171.7569 169 H 5.4003 8.1856 113.7401 53.9568 33.2007 172.8755 170 L 4.7767 8.8211 123.0862 53.5473 44.3654 175.2296 171 I 5.1184 8.4299 126.7324 60.2958 39.4541 174.3341 172 C 5.1599 9.0525 119.5685 56.4765 33.5857 171.9765 173 N 5.3038 8.8493 118.3766 51.7982 41.5281 173.0790 174 L 5.1477 8.9538 125.4434 52.8044 45.2326 175.4868 175 K 4.8537 8.8665 122.6404 54.9079 34.8858 175.3880 176 S 5.1263 8.9904 121.5429 56.8431 66.6101 173.5487 177 T 4.5826 8.4521 118.4435 61.9218 72.3578 172.4540 178 Y 5.4156 9.1505 124.3283 56.2898 41.1345 174.9567 179 R 5.1389 9.5294 122.9640 54.5104 33.9683 174.5116 180 S 4.8021 8.9672 118.2655 57.3893 63.0993 174.1977 181 K 4.2181 8.9709 125.8133 58.2647 32.5484 177.7325 182 K 4.0592 7.6039 121.4054 54.9943 32.4540 174.7659 183 P 4.2607 0.0000 0.0000 62.7376 32.2725 177.1627 184 A 3.9965 8.7235 124.5624 55.2339 18.5742 179.7943 185 K 3.8954 8.1548 114.3422 59.0497 32.4825 176.6128 186 N 5.1493 7.6361 114.4597 51.2235 37.2792 174.5961 187 L 4.4587 7.8765 116.5910 54.9658 43.8443 175.4895 188 K 4.2871 8.9320 124.5904 54.6827 32.4047 175.9768 189 V 3.9879 8.2237 127.1774 61.5675 32.1970 173.9972 190 P 4.5456 0.0000 0.0000 61.9248 32.1536 175.7992 191 G 3.9421 8.3506 108.0595 44.6502 0.0000 173.1210 192 V 4.0963 8.2046 119.2534 63.8460 32.0921 174.8199 193 Y 4.8746 8.4684 124.1570 56.5437 41.9713 172.5815 194 Y 5.1403 9.1858 115.5900 56.2103 42.7573 175.1269 195 V 4.7960 8.8387 121.3998 61.3894 34.8767 173.8083 196 D 5.5286 9.0917 128.2055 52.7869 43.2193 175.7448 197 R 5.1257 8.9857 118.4465 54.8078 33.9209 174.2890 198 R 4.3568 8.9005 119.8868 54.7768 32.7404 173.0993 199 L 5.0528 8.5077 128.5874 53.6669 43.5881 175.3610 200 E 4.8464 9.2974 125.1384 54.5372 34.1002 174.5653 201 R 4.4691 8.6748 124.0497 56.2726 30.3271 175.8001 202 I 4.1439 8.6052 128.0733 63.4827 37.9419 176.5041 203 K 4.8470 7.6386 119.4307 54.8081 36.6618 174.9836 204 E 5.0769 8.5552 118.9807 54.9220 32.9166 174.1881 205 A 4.5612 8.7433 121.8623 50.6395 23.3288 175.1090 206 D 4.2531 8.8140 117.3841 56.9615 38.4790 174.5112 207 K 3.9234 8.6354 117.5873 57.7807 30.0163 175.4173 208 E 3.5807 8.6375 110.6084 57.6329 28.0924 176.9530 209 T 4.0736 7.7998 118.6920 65.6160 68.9438 173.7980 210 Y 5.1969 7.9892 122.6864 55.5953 42.0700 174.7359 211 V 4.1481 7.5555 125.1991 60.9038 35.3391 173.1404 212 E 4.7963 8.5493 128.9848 54.4941 31.8289 174.2260 213 Q 4.9138 9.0904 127.6381 54.5412 32.7312 173.0687 214 H 5.3905 9.2904 125.6880 54.3409 33.4338 171.8803 215 E 5.0945 8.8041 124.9282 54.3394 33.4826 174.0642 216 V 4.9424 8.2911 125.1194 61.0824 34.3509 174.1793 217 A 5.1289 9.2256 129.2191 50.3294 22.6536 174.7446 218 V 4.7925 8.7775 121.9094 61.0545 34.3828 174.6132 219 A 5.2018 8.9947 130.2260 51.4684 20.9789 175.9435 220 R 4.7479 8.8128 114.6383 55.3216 32.8692 174.3434 221 Y 5.0957 8.3656 119.0510 57.5437 39.8909 174.4344 222 C 4.5906 8.9448 121.2644 59.1423 32.0650 173.3463 223 D 4.5420 8.7642 127.2421 56.9912 40.8213 177.1914 224 L 4.1199 7.7279 118.6056 53.6508 42.1810 175.1522 225 P 4.4082 0.0000 0.0000 62.9358 31.7422 175.6418 226 S 4.7408 8.2988 114.2265 56.7192 65.1949 173.8902 227 K 4.3684 8.6727 121.8462 56.5160 32.0901 176.9376 228 L 4.3439 7.4548 124.4987 54.8813 42.0241 176.2227 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 E 8.44 4.35 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 4 L 8.52 3.85 0.00 1.80 1.73 1.05 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.40 4.05 1.89 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.62 0.00 0.00 6 K 8.25 4.48 0.00 1.77 1.80 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 E 8.81 4.27 0.00 2.06 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 2.41 2.47 0.00 8 N 8.08 5.45 0.00 2.65 2.72 0.00 0.00 6.67 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 9 M 8.96 5.01 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.73 0.00 10 H 8.83 5.33 0.00 3.07 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 8.99 5.12 0.00 1.91 1.69 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 12 K 8.86 5.03 0.00 1.56 1.43 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.29 7.81 13 L 8.64 5.23 0.00 1.83 1.53 1.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.11 5.32 0.00 2.93 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 15 M 9.71 5.46 0.00 2.22 1.84 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 16 E 8.76 4.56 0.00 2.02 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 2.13 2.18 0.00 17 G 6.72 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 18 T 7.56 5.20 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 19 V 8.58 4.62 0.99 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 0.10 0.00 0.00 0.35 0.00 0.00 20 N 9.82 4.27 0.00 2.90 2.90 0.00 0.00 7.04 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 21 N 8.36 4.21 0.00 2.85 2.88 0.00 0.00 7.19 7.89 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 22 H 8.35 4.88 0.00 3.45 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.92 5.13 0.00 3.26 3.24 0.00 5.69 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 24 F 8.27 5.17 0.00 3.36 3.17 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 25 K 9.21 5.16 0.00 1.79 1.76 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.34 1.45 7.81 26 C 10.04 5.75 0.00 3.07 3.17 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 27 T 8.93 5.32 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 1.36 0.00 0.00 28 S 8.64 5.18 0.00 3.97 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 29 E 8.92 5.09 0.00 2.08 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 2.16 2.25 0.00 30 G 8.83 4.81 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 31 E 8.27 5.09 0.00 1.92 1.64 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 2.19 2.31 0.00 32 G 8.30 4.07 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 0.00 0.00 0.00 33 K 8.50 5.18 0.00 1.82 1.87 0.00 2.05 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.30 7.81 34 P 0.00 4.29 0.00 1.42 1.58 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.40 0.00 35 Y 7.91 4.35 0.00 2.97 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 36 E 8.38 4.28 0.00 2.03 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 0.00 2.35 2.39 0.00 37 G 8.60 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.61 5.23 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 1.26 0.00 0.00 39 Q 8.14 4.88 0.00 1.57 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 40 T 8.79 5.05 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 1.19 0.00 0.00 41 M 9.24 5.08 0.00 1.80 1.79 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 42 R 8.91 4.80 0.00 1.92 2.11 0.00 3.16 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 43 I 8.46 4.88 1.55 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.40 0.88 0.00 0.00 44 K 9.19 5.13 0.00 1.70 1.75 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 45 V 8.80 4.51 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 0.83 0.00 0.00 1.16 0.00 0.00 46 V 8.72 4.40 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 0.78 0.00 0.00 1.07 0.00 0.00 47 E 8.12 4.54 0.00 2.08 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 2.36 2.39 0.00 48 G 8.59 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.81 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.41 0.00 2.12 2.02 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 51 L 8.15 3.74 0.00 1.13 0.18 0.49 0.71 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 52 P 0.00 4.63 0.00 2.05 2.03 0.00 3.41 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 1.94 1.76 0.00 53 F 6.50 4.90 0.00 2.90 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 54 A 9.10 3.95 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 55 F 9.14 3.89 0.00 3.10 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 56 D 8.57 4.72 0.00 2.72 2.60 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 57 I 7.73 4.50 1.93 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.83 0.73 0.00 0.00 58 L 8.18 4.35 0.00 1.36 1.50 0.48 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.08 4.47 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.79 4.11 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 0.71 0.00 0.00 61 S 7.94 4.85 0.00 3.84 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 62 F 7.66 4.61 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *66 S 7.80 4.26 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 67 Y 7.84 3.74 0.00 2.38 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.54 4.11 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 0.94 0.00 0.00 69 F 8.28 4.70 0.00 3.34 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 70 I 7.10 4.77 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.56 0.89 0.00 0.00 71 N 8.99 4.44 0.00 2.97 2.87 0.00 0.00 6.78 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 72 H 8.72 4.68 0.00 3.13 3.19 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.11 4.14 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 74 Q 8.53 3.26 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.20 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 75 G 8.77 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 6.97 3.57 1.51 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.43 0.01 0.00 0.00 77 P 0.00 4.08 0.00 2.06 1.98 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 78 D 8.31 4.39 0.00 2.56 2.50 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 79 F 8.35 3.84 0.00 2.63 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 0.00 0.00 0.00 0.00 80 F 7.62 3.89 0.00 3.23 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 81 K 8.51 4.33 0.00 1.83 1.93 0.00 1.56 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.41 1.55 7.81 82 Q 8.04 4.15 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 83 S 7.68 4.00 0.00 3.85 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 84 F 7.02 4.74 0.00 3.19 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 85 P 0.00 4.71 0.00 2.25 2.26 0.00 3.81 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 2.03 2.03 0.00 86 E 8.21 3.96 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 87 G 8.88 3.23 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 0.00 88 F 7.62 5.42 0.00 3.40 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 89 T 9.79 5.28 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 1.21 0.00 0.00 90 W 8.63 5.88 0.00 3.39 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.35 5.33 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 92 R 9.49 5.85 0.00 2.05 2.05 0.00 3.03 0.00 0.00 3.21 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 93 V 8.42 4.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 94 T 9.07 4.98 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 0.98 0.00 0.00 95 T 8.72 4.79 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 1.20 0.00 0.00 96 Y 8.99 4.57 0.00 3.04 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 97 E 9.20 4.20 0.00 2.02 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 0.00 2.36 2.37 0.00 98 D 8.17 4.77 0.00 2.80 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 99 G 8.13 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 0.00 100 G 7.80 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.11 4.93 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 1.03 0.00 0.00 0.88 0.00 0.00 102 L 9.39 5.39 0.00 2.18 1.78 0.94 0.66 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 0.00 103 T 9.21 5.22 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 1.24 0.00 0.00 104 A 8.94 5.26 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.53 4.67 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 1.08 0.00 0.00 106 Q 8.56 4.53 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 107 D 9.04 5.10 0.00 2.61 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 0.00 108 T 8.93 5.21 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 109 S 9.24 5.04 0.00 3.90 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 0.00 110 L 8.70 5.06 0.00 1.77 1.83 0.75 0.64 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 0.00 111 Q 8.24 4.39 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 112 D 9.55 4.20 0.00 2.87 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 0.00 113 G 8.31 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 0.00 114 C 7.42 4.87 0.00 3.01 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 0.00 115 L 8.82 4.47 0.00 1.65 1.47 0.98 0.71 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 0.00 116 I 8.93 4.91 1.96 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 1.41 0.71 1.10 0.00 0.00 117 Y 8.87 5.47 0.00 2.94 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 0.00 118 N 9.33 5.43 0.00 2.78 2.65 0.00 0.00 6.19 8.54 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 0.00 119 V 9.02 4.71 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 120 K 8.88 5.06 0.00 1.56 1.57 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.45 7.81 121 I 8.35 5.05 1.84 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 1.06 1.10 1.03 0.00 0.00 122 R 9.42 4.66 0.00 1.80 1.76 0.00 3.05 0.00 0.00 3.18 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 123 G 9.28 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.64 4.84 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 0.00 125 N 8.87 4.39 0.00 2.77 2.88 0.00 0.00 7.05 7.02 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 0.00 126 F 8.41 4.25 0.00 3.14 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 0.00 127 T 8.52 4.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 128 S 8.91 4.23 0.00 4.04 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 0.00 129 N 8.05 4.74 0.00 2.85 2.96 0.00 0.00 6.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.07 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 0.00 131 P 0.00 4.30 0.00 2.25 2.31 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 132 V 7.63 3.46 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 0.47 0.00 0.00 0.73 0.00 0.00 133 M 7.95 4.41 0.00 2.07 2.40 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 2.68 2.69 0.00 134 Q 8.05 4.22 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 135 K 7.80 3.84 0.00 1.85 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.39 7.81 136 K 8.50 4.79 0.00 1.57 1.75 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.48 7.81 137 T 7.97 5.02 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 1.17 0.00 0.00 138 L 8.35 4.68 0.00 1.39 1.61 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.96 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 0.00 140 W 8.23 5.27 0.00 3.24 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 9.25 4.44 0.00 1.94 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 0.00 2.60 2.40 0.00 142 A 8.59 4.35 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 0.00 143 G 8.80 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 0.00 144 T 8.40 5.17 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 145 E 9.40 4.80 0.00 1.94 1.74 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 2.18 2.37 0.00 146 M 8.97 4.60 0.00 2.15 2.05 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 2.37 2.26 0.00 147 L 8.59 5.35 0.00 0.70 1.12 0.53 0.48 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 0.00 148 Y 8.16 5.10 0.00 2.93 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 0.00 149 P 0.00 4.78 0.00 1.98 2.02 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 150 A 8.80 4.21 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 9.05 4.66 0.00 2.83 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 0.00 152 G 8.64 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 0.00 153 G 7.55 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 0.00 0.00 0.00 0.00 154 L 7.96 5.03 0.00 1.08 1.23 0.77 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.15 4.80 0.00 1.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 156 G 8.54 4.78 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 0.00 0.00 0.00 157 R 9.01 5.44 0.00 1.75 1.79 0.00 3.31 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 158 S 8.79 4.93 0.00 3.95 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 0.00 159 D 8.62 5.40 0.00 2.54 2.60 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 0.00 160 E 9.24 4.90 0.00 1.82 1.79 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 2.04 1.94 0.00 161 A 8.77 5.15 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 0.00 162 L 9.06 4.16 0.00 1.03 1.55 -0.21 0.34 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 0.00 163 K 8.89 4.40 0.00 1.76 1.62 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.48 7.81 164 L 8.29 5.08 0.00 1.71 1.49 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.30 3.55 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 0.91 0.00 0.00 166 G 8.62 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.68 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 0.00 168 G 8.97 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 0.00 169 H 8.19 5.40 0.00 2.98 3.19 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 0.00 170 L 8.82 4.78 0.00 1.79 1.56 1.03 1.35 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 0.00 171 I 8.43 5.12 2.20 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 1.45 0.80 0.97 0.00 0.00 172 C 9.05 5.16 0.00 2.37 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 0.00 0.00 0.00 0.00 173 N 8.85 5.30 0.00 2.72 2.62 0.00 0.00 7.33 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 0.00 174 L 8.95 5.15 0.00 1.51 1.42 0.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.87 4.85 0.00 1.65 1.67 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.51 7.81 176 S 8.99 5.13 0.00 3.32 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 0.00 177 T 8.45 4.58 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 178 Y 9.15 5.42 0.00 2.59 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 0.00 179 R 9.53 5.14 0.00 1.79 1.88 0.00 3.30 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 180 S 8.97 4.80 0.00 2.92 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 0.00 181 K 8.97 4.22 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.46 1.43 7.81 182 K 7.60 4.06 0.00 1.92 1.56 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.51 7.81 183 P 0.00 4.26 0.00 2.19 1.96 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 184 A 8.72 4.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 K 8.15 3.90 0.00 1.72 1.92 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.52 7.81 186 N 7.64 5.15 0.00 2.77 2.80 0.00 0.00 6.76 7.67 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 0.00 187 L 7.88 4.46 0.00 1.56 1.49 0.81 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 188 K 8.93 4.29 0.00 1.71 1.76 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.50 7.81 189 V 8.22 3.99 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 0.89 0.00 0.00 1.04 0.00 0.00 190 P 0.00 4.55 0.00 2.26 2.11 0.00 3.84 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 2.09 2.03 0.00 191 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.20 4.10 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 0.76 0.00 0.00 0.98 0.00 0.00 193 Y 8.47 4.87 0.00 3.18 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 0.00 194 Y 9.19 5.14 0.00 2.96 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 0.00 195 V 8.84 4.80 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 0.82 0.00 0.00 0.94 0.00 0.00 196 D 9.09 5.53 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 R 8.99 5.13 0.00 1.82 1.88 0.00 2.56 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 198 R 8.90 4.36 0.00 1.88 1.82 0.00 3.11 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 199 L 8.51 5.05 0.00 1.64 1.55 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 200 E 9.30 4.85 0.00 1.92 1.79 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 2.27 2.28 0.00 201 R 8.67 4.47 0.00 1.83 1.85 0.00 3.23 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 202 I 8.61 4.14 1.82 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 1.20 0.92 0.89 0.00 0.00 203 K 7.64 4.85 0.00 1.61 1.65 0.00 1.72 0.00 0.00 1.95 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 204 E 8.56 5.08 0.00 1.74 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 205 A 8.74 4.56 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 D 8.81 4.25 0.00 2.85 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 K 8.64 3.92 0.00 1.78 1.75 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.41 7.81 208 E 8.64 3.58 0.00 2.00 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 2.14 2.05 0.00 209 T 7.80 4.07 4.36 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 1.25 0.00 0.00 210 Y 7.99 5.20 0.00 2.99 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 0.00 211 V 7.56 4.15 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 0.35 0.00 0.00 -0.25 0.00 0.00 212 E 8.55 4.80 0.00 1.85 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 213 Q 9.09 4.91 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 214 H 9.29 5.39 0.00 3.22 3.08 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.80 5.09 0.00 1.94 1.58 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 2.10 2.27 0.00 216 V 8.29 4.94 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 1.00 0.00 0.00 217 A 9.23 5.13 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 0.00 218 V 8.78 4.79 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 1.04 0.00 0.00 0.94 0.00 0.00 219 A 8.99 5.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 R 8.81 4.75 0.00 2.03 2.03 0.00 2.80 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 221 Y 8.37 5.10 0.00 3.00 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 0.00 222 C 8.94 4.59 0.00 2.91 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 0.00 223 D 8.76 4.54 0.00 2.72 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 0.00 224 L 7.73 4.12 0.00 1.62 1.60 0.89 1.00 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 0.00 225 P 0.00 4.41 0.00 2.17 2.06 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 226 S 8.30 4.74 0.00 3.95 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 0.00 227 K 8.67 4.37 0.00 1.76 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 228 L 7.45 4.34 0.00 1.61 1.51 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.