NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7014 8.2833 119.2022 53.2449 40.3255 175.1034 3 N 4.1974 8.7638 123.5355 56.1399 38.5152 176.0525 4 T 3.8410 8.7288 117.9247 66.8337 69.0266 176.2932 5 I 3.6884 8.1476 121.6191 64.3526 37.0577 178.3797 6 E 3.9576 8.2218 119.4586 59.6476 29.0639 179.5261 7 T 3.8430 7.8634 114.6928 66.6348 68.7154 176.3191 8 I 3.8510 7.9668 121.8995 64.6637 37.0141 178.6227 9 L 4.0309 8.0492 118.0755 57.1516 41.5103 178.2986 10 N 4.4878 7.8435 115.3426 53.7192 39.4258 174.4864 11 H 4.1019 7.1927 119.9658 57.3878 30.3874 174.2073 12 R 4.4118 7.7084 120.6104 54.3445 32.1582 174.8930 13 S 4.4129 8.4755 116.6702 58.7902 63.4123 173.6795 14 I 4.1765 8.4118 126.3279 59.8900 38.1147 175.7721 15 R 3.8194 8.0833 122.6495 55.2584 30.9732 175.3782 16 S 4.3757 7.0254 113.2374 56.9641 64.9964 172.6617 17 F 5.5434 8.7476 125.3661 55.6712 42.1501 175.3962 18 T 4.5336 8.8339 112.3305 61.0418 69.9427 174.3920 19 D 4.5635 8.6814 119.3137 53.7113 39.8537 176.1260 20 Q 4.0119 7.7478 122.1284 56.2920 29.0113 175.7451 21 L 4.5051 8.2729 125.4762 54.3781 42.6754 177.0674 22 L 4.5216 8.5165 122.3052 55.0276 42.4869 177.3959 23 T 4.2836 9.0969 112.8239 61.0184 70.2172 175.6081 24 A 3.9903 8.6409 123.7187 55.2228 18.3059 179.6390 25 E 3.8796 8.1045 117.4739 59.4079 29.7361 178.7605 26 E 3.9943 8.2062 118.6620 59.4849 29.4811 179.3624 27 I 3.8684 7.8927 119.8295 64.3824 37.1179 177.8740 28 D 4.3502 8.3552 118.9979 57.7757 40.9929 178.4715 29 T 3.8714 8.0418 116.0565 66.6552 68.4416 176.5703 30 L 3.9207 8.1779 121.0406 57.7440 41.5573 179.8445 31 V 3.5634 8.0491 118.2406 66.0316 31.5911 178.1964 32 K 3.9899 8.2589 118.3330 59.5530 31.6249 179.5263 33 S 4.1141 8.1582 114.4581 61.4639 63.1047 176.1991 34 A 4.5325 8.0224 124.7387 54.9613 17.9738 179.8215 35 Q 4.7279 8.5290 116.2677 58.3967 28.8484 178.3887 36 A 4.2014 7.8033 119.6595 52.8791 18.6948 177.6763 37 A 4.1770 7.0398 119.7927 51.6501 19.0961 177.7433 38 S 4.3597 8.3434 115.9172 59.2880 63.7378 174.3295 39 T 4.8299 8.1617 115.7854 60.4054 70.3053 173.2919 40 S 4.3163 9.2167 125.1481 60.5882 63.1544 174.6018 41 S 3.8424 9.7893 120.1443 59.4704 60.3978 172.1189 42 Y 3.9936 8.1562 116.9457 58.5061 37.6312 170.9314 43 V 3.6903 8.1658 113.1632 62.7122 32.2310 176.2870 44 Q 3.5095 8.5435 118.0341 57.1006 26.8786 174.2499 45 A 4.7746 8.7398 117.6421 50.8505 17.9998 177.4386 46 Y 5.4885 7.0463 118.5166 56.5687 42.4725 174.9469 47 S 4.9691 9.2280 114.4807 56.9965 67.9548 173.3486 48 I 4.4978 8.2805 122.2184 59.5798 39.9086 174.8831 49 I 4.2069 8.6762 129.1303 59.4600 39.0446 175.3013 50 G 3.8643 8.6434 115.7652 45.3181 0.0000 172.9476 51 V 4.3521 8.9593 129.2951 61.3749 32.1179 176.1357 52 S 4.5000 8.5345 122.0612 58.0884 65.1080 174.3117 53 D 4.3147 7.9902 120.9514 53.8375 41.6974 174.2673 54 P 4.1906 0.0000 0.0000 65.9103 31.3861 178.1356 55 E 3.9319 8.1623 117.3509 59.2279 29.5939 178.9184 56 K 4.2569 8.2707 119.9032 58.8386 32.1254 179.5041 57 K 3.8489 8.2312 118.9711 59.2509 31.9121 179.4232 58 R 3.7807 7.9973 118.8779 59.4459 29.6170 178.2801 59 E 3.9303 8.1723 118.3478 59.5911 29.4217 179.4933 60 L 4.0709 8.0766 119.1563 57.6654 41.6417 179.6622 61 S 3.9011 8.0023 114.2995 61.3066 62.7898 176.8407 62 V 3.6477 7.7272 121.7708 65.8438 31.1491 178.0470 63 L 3.9917 7.9676 117.2635 57.5645 41.5302 178.6844 64 A 4.4420 7.9818 118.3638 52.5613 18.5228 177.6664 65 G 3.7866 7.8224 105.7368 45.8378 0.0000 173.6041 66 N 3.9648 7.7164 113.6714 53.7214 35.8708 174.7847 67 Q 4.1629 7.1656 117.1035 52.9818 29.8237 175.1495 68 P 4.2063 0.0000 0.0000 65.4915 31.5132 177.9211 69 Y 4.7866 7.2236 114.2985 57.8320 38.2332 176.7889 70 V 3.4015 7.2634 120.9911 65.3447 31.9719 176.7490 71 E 3.8673 8.0007 119.2314 58.2064 30.0315 176.4612 72 K 4.3128 8.2510 125.7598 55.2344 31.0327 174.5932 73 N 4.6032 7.9150 122.1048 51.7731 39.7576 174.7402 74 G 3.7637 8.4547 105.0385 49.2715 0.0000 173.4605 75 H 4.7553 7.4588 115.7842 55.3077 34.2979 172.8323 76 F 5.1470 7.7220 125.9638 56.6115 41.6466 173.8098 77 F 4.9263 8.7018 125.5820 55.8469 41.3110 175.0684 78 V 4.4864 8.5500 123.3402 61.0894 33.7644 174.1949 79 F 4.6601 8.8990 127.6010 56.6278 40.4893 174.7202 80 C 5.3210 8.9521 120.9716 57.5015 31.8810 173.3100 81 A 4.5737 8.7446 124.9891 52.0780 19.0513 176.1251 82 D 5.2098 9.5627 122.0166 52.2367 44.2702 175.5281 83 L 4.9054 9.4599 125.4551 54.4918 42.7129 177.8095 84 Y 4.0912 8.1573 121.4678 60.5654 38.8748 177.2678 85 R 3.7827 8.4228 119.7756 59.9722 30.1054 178.2599 86 H 4.0933 7.9959 115.2203 58.6854 28.7169 177.3833 87 Q 3.8107 8.0536 121.3699 59.3499 28.8928 178.4530 88 Q 3.7540 8.0364 119.3884 58.7201 28.0717 178.7593 89 L 3.8701 7.8842 119.8184 57.5837 41.6213 179.3874 90 A 4.0008 7.9879 120.6374 55.1881 18.4669 179.3595 91 E 3.8703 8.2429 117.3268 59.6192 29.4337 178.8753 92 E 4.2366 7.9028 115.7007 57.2745 29.7774 177.3569 93 K 4.5618 7.1818 116.1433 55.8994 33.5594 176.5098 94 G 3.8570 7.8255 106.7452 46.0346 0.0000 173.5646 95 E 4.4360 7.9801 118.4313 54.9362 30.9931 175.6457 96 H 4.6370 8.4761 119.2241 54.9220 31.5797 172.8675 97 I 4.4431 7.8100 126.1028 60.4083 38.9905 177.8101 98 S 3.9381 7.9787 117.0390 61.9700 62.8334 176.1361 99 E 4.1057 8.0743 120.3575 59.3836 29.2710 179.2870 100 L 4.0637 7.7920 118.6151 57.5268 41.6201 178.7871 101 L 4.1806 7.8555 116.8875 56.1842 41.8545 177.9314 102 E 4.6600 8.0090 119.4639 54.5209 29.9776 175.5267 103 N 5.0543 7.4211 117.0095 51.9240 38.7856 175.5697 104 T 4.1023 8.0388 114.6751 66.9693 68.4836 176.2481 105 E 3.8399 7.4720 115.1722 57.7361 29.7336 176.7383 *107 F 4.9896 7.9742 117.5460 58.1095 40.9561 176.5368 *109 V 4.0639 7.7998 119.8150 62.5021 33.0777 177.7258 110 S 4.2743 8.0349 114.3995 61.3006 62.9970 176.2063 111 L 3.8811 7.9448 122.5841 57.5813 41.2685 179.5343 112 I 3.6978 7.6272 119.1700 64.4120 37.2383 177.9414 113 D 4.3852 8.3941 119.6523 57.4632 40.7351 178.8495 114 A 3.8491 8.0971 120.8591 55.0674 18.3871 179.5630 115 A 4.0752 8.1119 119.2803 55.3410 18.5114 179.8477 116 L 3.8591 8.1648 117.5290 57.7749 41.5244 179.6360 117 A 3.9989 7.6960 120.2149 55.0969 18.0470 179.5384 118 A 3.0691 7.4596 118.0644 55.0615 18.5871 179.4120 119 Q 4.2214 8.0858 119.3662 58.4207 28.9476 178.2854 120 N 4.6316 7.8526 115.4592 53.7292 38.2888 177.0859 *122 S 4.3232 8.0135 118.0108 58.8148 65.1018 176.4284 123 I 3.6761 7.9377 120.6776 64.2193 36.5110 178.3269 124 A 3.9487 7.9969 120.4369 55.0953 18.5351 179.2404 125 A 4.0930 7.8883 118.6687 55.5090 18.3630 179.5618 126 E 4.4573 8.5254 117.6255 58.6341 29.7511 180.3847 127 S 4.4983 8.1466 115.4807 57.9514 63.0293 175.2536 *129 G 3.8675 7.8944 108.7331 46.1352 0.0000 173.3819 130 L 4.5165 7.9507 120.4783 54.0245 43.5959 176.0282 131 G 4.5773 9.4458 108.3864 44.8768 0.0000 172.7292 132 I 5.5508 8.2634 113.6978 59.3445 41.8954 173.7616 133 C 5.0596 9.0489 123.2403 58.3553 34.7018 172.8946 134 Y 4.5652 9.1386 124.0831 58.3786 39.2732 174.9369 135 I 4.8658 9.3969 124.0072 59.2656 38.4902 176.2785 136 G 4.1660 8.9049 113.3413 46.2995 0.0000 172.6020 137 G 3.8238 8.4110 108.0963 47.7703 0.0000 175.3836 138 I 3.8840 8.0639 114.5894 63.8851 37.2067 177.5919 139 R 4.3083 8.1800 117.9514 57.5327 29.9486 177.8163 140 N 4.7126 8.2711 117.2188 55.4167 40.1095 175.3837 141 E 4.5311 7.9494 118.3816 53.7902 30.7385 176.0370 142 L 4.0264 9.0454 122.3099 57.7778 41.8966 179.0260 143 D 4.6367 7.3713 118.8678 56.8145 41.1849 178.3683 144 K 4.0147 7.8374 118.4460 59.0718 32.1213 179.4117 145 V 3.6264 7.8246 119.0003 66.2549 31.4965 178.2249 146 T 4.0067 8.3038 111.2400 64.3014 68.2250 176.3214 147 E 3.9780 7.6835 120.6179 59.0714 29.5816 178.9882 148 V 3.7392 7.7162 117.3037 65.8879 31.7892 177.4894 149 L 4.2564 8.0446 115.4682 54.1101 42.3372 176.4145 150 Q 3.4692 7.8388 117.4666 56.8062 27.1130 174.2062 151 T 4.0459 7.6039 107.0587 60.6761 70.3548 173.1774 152 P 4.5060 0.0000 0.0000 61.5237 33.3884 174.8049 153 D 4.5240 8.2959 116.9908 56.0407 41.7560 175.6349 154 H 3.8541 9.1501 119.7270 56.2396 26.7445 174.3491 155 V 4.9972 7.6854 118.1790 60.9542 33.5779 174.4502 156 L 4.7639 8.8970 129.1908 52.4276 44.5243 173.7470 157 P 4.4934 0.0000 0.0000 63.2151 31.4176 175.7560 158 L 4.7003 8.5092 124.3949 55.8654 43.2765 176.6745 159 F 5.0155 7.2168 110.7646 56.1404 40.9750 173.4244 160 G 4.2224 9.3174 108.6030 45.2347 0.0000 172.6790 161 L 5.2001 8.6630 121.1922 53.1773 45.1779 174.8581 162 A 4.9433 9.3966 130.1680 51.5271 20.0145 176.1102 163 V 4.7662 8.2700 122.4465 61.0845 35.3808 175.0404 164 G 4.1458 7.9934 112.3631 46.3313 0.0000 171.1920 165 H 5.0566 8.3796 117.2809 54.4921 29.6986 173.8002 166 P 4.7739 0.0000 0.0000 62.8515 31.2821 176.3937 167 A 4.5104 8.9121 125.5737 52.9034 20.2078 177.1674 168 N 4.8239 7.7060 112.8800 52.2745 41.8382 174.0564 169 L 4.1773 8.6094 124.2964 54.6304 43.0593 178.8680 170 S 3.3222 8.3311 114.1203 59.0103 62.2962 171.0633 171 G 4.2566 8.1249 105.3831 43.8201 0.0000 172.3185 172 K 4.1078 8.4448 119.5337 56.0309 32.7203 176.8181 173 K 3.9719 8.0950 121.3478 53.5899 33.7211 174.8703 174 P 4.2234 0.0000 0.0000 62.7076 31.8624 176.1945 175 R 4.3930 7.9906 120.4970 54.0422 31.9880 176.2122 176 L 2.4400 7.4753 118.9557 53.8672 42.2242 175.9999 177 P 4.1456 0.0000 0.0000 62.3970 32.2637 177.1301 178 K 3.7188 8.7990 122.9572 59.8924 31.9962 178.9096 179 Q 4.2163 7.9820 115.1497 58.5098 28.8520 177.6671 180 A 3.9993 7.7136 120.5862 54.2272 18.6842 178.4268 181 V 3.9304 7.5727 113.7250 63.9744 32.5805 175.2155 182 Y 4.6295 8.1632 120.8278 56.1344 39.7205 174.1895 183 H 4.5729 7.8256 123.1239 53.7619 32.1437 172.7718 184 E 4.1596 8.3530 122.2454 55.6336 30.3643 175.5527 185 N 4.7367 9.0982 127.1484 53.7846 37.5075 174.7683 186 T 4.7113 7.2071 104.0550 59.3341 72.0349 172.6708 187 Y 3.6415 8.4419 123.9713 57.4689 39.2774 174.9493 188 N 4.6038 8.4319 126.0476 53.3024 38.7336 174.5795 189 V 4.2980 8.2766 118.2398 61.0333 32.5382 176.1883 190 N 4.3665 8.5755 120.6873 53.9629 39.4375 175.3046 191 T 3.9915 8.6287 119.4029 65.1276 68.9327 176.0620 192 D 4.3926 8.2008 121.2321 57.1848 40.9450 178.3013 193 D 4.3846 8.5964 119.3864 57.2299 40.6065 178.5517 194 F 4.0645 8.1502 119.8641 61.5026 39.5335 177.0115 195 R 4.1169 8.2172 116.3515 59.5129 30.1728 178.2776 196 H 4.3568 8.3092 117.9436 59.5068 29.8123 177.8358 197 T 3.7156 7.6490 114.3299 64.3432 68.0016 175.9285 *199 N 4.6681 8.0810 120.6185 53.8193 40.8969 176.9579 200 T 3.7987 7.8214 114.6509 66.8265 68.4036 176.0672 201 Y 4.2096 8.1108 121.3661 60.9083 38.8144 177.5995 202 D 4.3326 8.1979 119.3439 57.2635 40.8078 178.7470 203 K 4.0216 7.9264 121.2353 59.1715 32.2491 178.9062 204 T 3.8418 7.8918 116.0192 66.8172 68.3636 176.6598 205 I 3.5974 7.7458 121.8720 64.2118 36.6432 178.5444 206 S 4.5558 8.0807 116.4845 61.2119 62.7643 176.2669 207 D 4.3747 8.4472 123.0402 56.9450 40.5148 178.0122 208 Y 3.9114 8.1028 119.9680 61.1428 38.7991 178.0424 209 Y 4.0553 8.1265 117.4955 60.9135 37.8421 178.4299 210 R 3.9914 8.1614 119.8134 59.4333 29.9316 178.2518 211 E 3.8566 7.8228 118.0573 59.0770 29.7438 178.3058 212 R 3.8532 7.7054 118.1462 58.5977 30.2131 177.5762 213 T 4.3663 7.7384 105.8873 59.9243 70.6318 173.3161 214 N 3.9900 8.8143 119.9196 54.7949 36.6112 175.0316 215 G 4.0257 8.6177 105.8859 46.0015 0.0000 173.1478 216 K 4.1779 7.5317 116.9901 57.4799 32.3115 177.1483 217 R 4.5033 7.5690 119.7162 55.3051 32.3838 173.7871 218 E 4.8252 8.6419 122.3707 55.6328 30.6776 175.4570 219 E 4.1671 8.0996 117.5316 57.2595 30.3932 176.5244 220 T 4.4295 8.3311 111.8319 60.4029 71.8810 175.8560 221 W 4.2043 8.6171 129.7377 60.5814 30.5658 177.8100 222 S 4.1111 8.8633 115.4607 61.7139 62.2468 176.4233 223 D 4.3094 8.0142 121.2193 57.4352 40.5675 178.7200 224 Q 3.8795 7.8970 119.7397 59.1189 28.8236 178.2854 225 I 3.5421 7.4535 120.2265 64.1771 37.1417 177.9552 226 L 4.1050 7.7294 118.8077 58.0136 41.5639 178.9394 227 N 4.4968 8.1245 115.7014 56.2748 39.1186 177.0780 228 F 4.3232 8.1833 119.5653 58.6729 39.1229 176.3385 *230 K 4.1789 7.9551 114.9187 54.9501 33.6514 175.7516 231 Q 4.0796 7.3979 117.3941 55.2309 29.0097 176.0457 232 K 3.9417 8.3497 117.6569 56.0151 31.7816 175.5421 233 P 4.4398 0.0000 0.0000 62.5324 32.6446 177.0566 234 R 4.5727 8.1838 120.2740 55.7866 29.3246 177.9753 235 T 3.9162 7.7046 111.5170 64.8884 69.2825 175.7340 236 Y 4.2834 8.3728 120.1094 60.0982 37.6707 178.4913 237 L 3.7038 6.9895 120.1984 57.1825 41.2990 178.8651 238 N 4.2577 7.8128 116.1918 56.4853 38.9374 176.4032 239 D 4.5615 7.9523 119.0017 56.7589 41.3237 178.0937 240 Y 3.9887 8.3817 120.4805 60.8598 38.8631 178.5222 241 V 3.6038 7.8992 113.2302 64.4598 31.5873 178.7209 242 K 4.6872 7.8293 119.0213 58.9710 31.7055 178.7999 243 E 3.8971 7.6291 118.2756 58.6368 29.7325 178.0630 244 K 4.2888 7.4566 116.7917 56.1290 31.8284 177.9570 245 G 3.7563 8.1087 108.5432 45.2075 0.0000 173.0135 246 F 4.6306 8.1048 117.6192 56.1774 41.5205 174.8634 247 N 4.1020 8.8280 119.0186 54.4329 37.3500 175.5971 248 K 3.9521 8.1888 116.9005 57.5683 32.4304 176.8690 249 N 4.5242 8.0029 119.6933 53.7872 39.1436 173.8864 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.70 0.00 2.72 2.75 0.00 0.00 7.09 5.83 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 3 N 8.76 4.20 0.00 2.88 2.85 0.00 0.00 7.15 6.17 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 4 T 8.73 3.84 4.40 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 1.20 0.00 0.00 5 I 8.15 3.69 1.85 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 1.49 0.67 0.88 0.00 0.00 6 E 8.22 3.96 0.00 2.16 1.99 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 2.32 2.48 0.00 7 T 7.86 3.84 4.40 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 1.24 0.00 0.00 8 I 7.97 3.85 1.98 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 1.50 0.83 0.88 0.00 0.00 9 L 8.05 4.03 0.00 1.57 1.70 0.88 0.88 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 10 N 7.84 4.49 0.00 2.86 2.96 0.00 0.00 7.09 8.02 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 11 H 7.19 4.10 0.00 3.12 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.71 4.41 0.00 1.90 1.73 0.00 3.19 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 13 S 8.48 4.41 0.00 3.88 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 14 I 8.41 4.18 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.27 0.00 0.00 15 R 8.08 3.82 0.00 1.29 0.72 0.00 2.91 0.00 0.00 2.65 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 16 S 7.03 4.38 0.00 3.72 3.50 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 17 F 8.75 5.54 0.00 3.16 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 18 T 8.83 4.53 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 1.34 0.00 0.00 19 D 8.68 4.56 0.00 2.84 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 20 Q 7.75 4.01 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 21 L 8.27 4.51 0.00 1.58 1.58 0.92 1.07 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 22 L 8.52 4.52 0.00 1.47 1.62 1.07 0.73 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 23 T 9.10 4.28 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 1.23 0.00 0.00 24 A 8.64 3.99 1.33 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 0.00 0.00 25 E 8.10 3.88 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 26 E 8.21 3.99 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 27 I 7.89 3.87 2.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.99 0.00 0.00 28 D 8.36 4.35 0.00 2.89 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 29 T 8.04 3.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 L 8.18 3.92 0.00 1.84 1.49 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.05 3.56 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 1.16 0.00 0.00 1.06 0.00 0.00 32 K 8.26 3.99 0.00 1.99 1.87 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.63 7.81 33 S 8.16 4.11 0.00 3.99 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 34 A 8.02 4.53 1.51 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 0.00 0.00 35 Q 8.53 4.73 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 36 A 7.80 4.20 1.41 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 37 A 7.04 4.18 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 38 S 8.34 4.36 0.00 3.89 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 39 T 8.16 4.83 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 40 S 9.22 4.32 0.00 4.00 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 41 S 9.79 3.84 0.00 4.02 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 42 Y 8.16 3.99 0.00 2.99 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 43 V 8.17 3.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 44 Q 8.54 3.51 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.64 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 45 A 8.74 4.77 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.05 5.49 0.00 3.25 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 47 S 9.23 4.97 0.00 3.77 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 48 I 8.28 4.50 1.76 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 0.46 0.58 0.53 0.00 0.00 49 I 8.68 4.21 1.80 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 1.11 0.63 0.87 0.00 0.00 50 G 8.64 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.96 4.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 52 S 8.53 4.50 0.00 3.98 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 53 D 7.99 4.31 0.00 2.80 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 54 P 0.00 4.19 0.00 2.18 2.09 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 55 E 8.16 3.93 0.00 2.06 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 2.36 2.45 0.00 56 K 8.27 4.26 0.00 1.97 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.54 7.81 57 K 8.23 3.85 0.00 1.87 1.73 0.00 1.78 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.61 7.81 58 R 8.00 3.78 0.00 2.05 2.03 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.92 0.00 59 E 8.17 3.93 0.00 2.19 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0.00 7.91 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 68 P 0.00 4.21 0.00 2.27 2.30 0.00 3.53 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 69 Y 7.22 4.79 0.00 3.44 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.26 3.40 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.68 0.00 0.00 71 E 8.00 3.87 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 72 K 8.25 4.31 0.00 1.84 1.82 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.43 7.81 73 N 7.91 4.60 0.00 2.42 2.66 0.00 0.00 6.27 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 74 G 8.45 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 75 H 7.46 4.76 0.00 3.13 2.83 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.72 5.15 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 77 F 8.70 4.93 0.00 2.89 2.62 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 0.00 0.00 0.00 0.00 78 V 8.55 4.49 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 0.98 0.00 0.00 0.80 0.00 0.00 79 F 8.90 4.66 0.00 1.98 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 80 C 8.95 5.32 0.00 2.84 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 81 A 8.74 4.57 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 82 D 9.56 5.21 0.00 2.77 2.61 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 83 L 9.46 4.91 0.00 1.54 1.55 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.16 4.09 0.00 3.27 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.42 3.78 0.00 1.93 1.77 0.00 2.95 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 86 H 8.00 4.09 0.00 3.36 3.31 0.00 5.87 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 87 Q 8.05 3.81 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 88 Q 8.04 3.75 0.00 1.71 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 1.32 1.70 0.00 89 L 7.88 3.87 0.00 1.81 1.64 0.84 0.54 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 90 A 7.99 4.00 1.33 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 0.00 0.00 91 E 8.24 3.87 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 92 E 7.90 4.24 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 101 L 7.86 4.18 0.00 1.54 1.53 0.77 0.65 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 0.00 102 E 8.01 4.66 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 103 N 7.42 5.05 0.00 2.87 2.83 0.00 0.00 6.93 7.76 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 0.00 104 T 8.04 4.10 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 1.33 0.00 0.00 105 E 7.47 3.84 0.00 1.93 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 0.00 2.36 2.36 0.00 *107 F 7.97 4.99 0.00 3.19 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 V 7.80 4.06 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 1.09 0.00 0.00 1.00 0.00 0.00 110 S 8.03 4.27 0.00 4.42 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 0.00 111 L 7.94 3.88 0.00 1.61 1.60 0.42 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.63 3.70 1.88 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 1.62 0.62 0.91 0.00 0.00 113 D 8.39 4.39 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.10 3.85 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.11 4.08 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 0.00 116 L 8.16 3.86 0.00 1.63 1.69 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.70 4.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.46 3.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.09 4.22 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 120 N 7.85 4.63 0.00 3.05 2.82 0.00 0.00 6.89 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 *122 S 8.01 4.32 0.00 4.07 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 0.00 123 I 7.94 3.68 1.85 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 1.73 0.83 0.90 0.00 0.00 124 A 8.00 3.95 1.31 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 0.00 125 A 7.89 4.09 1.33 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 0.00 0.00 126 E 8.53 4.46 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 127 S 8.15 4.50 0.00 4.02 4.08 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 *129 G 7.89 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 0.00 130 L 7.95 4.52 0.00 1.80 1.75 0.93 0.64 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 0.00 131 G 9.45 4.58 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 0.00 0.00 0.00 132 I 8.26 5.55 1.88 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 1.28 0.82 0.95 0.00 0.00 133 C 9.05 5.06 0.00 3.38 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 0.00 134 Y 9.14 4.57 0.00 2.87 2.78 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 0.00 135 I 9.40 4.87 2.34 0.00 0.00 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 1.73 1.47 1.11 0.00 0.00 136 G 8.90 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 0.00 137 G 8.41 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 0.00 0.00 0.00 138 I 8.06 3.88 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.93 1.13 0.00 0.00 139 R 8.18 4.31 0.00 2.02 2.11 0.00 3.25 0.00 0.00 3.45 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 140 N 8.27 4.71 0.00 2.94 2.90 0.00 0.00 6.69 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 0.00 141 E 7.95 4.53 0.00 1.91 1.72 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 2.02 2.12 0.00 142 L 9.05 4.03 0.00 1.43 1.72 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.37 4.64 0.00 2.42 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 0.00 144 K 7.84 4.01 0.00 1.91 1.81 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.43 7.81 145 V 7.82 3.63 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.05 0.00 0.00 146 T 8.30 4.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 147 E 7.68 3.98 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 148 V 7.72 3.74 2.23 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 0.84 0.00 0.00 1.05 0.00 0.00 149 L 8.04 4.26 0.00 1.66 1.69 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 7.84 3.47 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 151 T 7.60 4.05 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 152 P 0.00 4.51 0.00 1.70 1.84 0.00 3.47 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 0.00 153 D 8.30 4.52 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 H 9.15 3.85 0.00 3.50 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 7.69 5.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 156 L 8.90 4.76 0.00 1.27 1.00 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.49 0.00 2.03 2.00 0.00 3.80 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 2.09 2.16 0.00 158 L 8.51 4.70 0.00 0.97 1.77 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.22 5.02 0.00 3.35 3.24 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 0.00 160 G 9.32 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 0.00 161 L 8.66 5.20 0.00 1.67 1.65 0.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 162 A 9.40 4.94 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.27 4.77 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 1.13 0.00 0.00 1.14 0.00 0.00 164 G 7.99 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 0.00 0.00 0.00 165 H 8.38 5.06 0.00 3.22 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.77 0.00 1.94 1.93 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.27 0.00 167 A 8.91 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 0.00 168 N 7.71 4.82 0.00 2.58 2.55 0.00 0.00 7.01 7.78 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 0.00 169 L 8.61 4.18 0.00 1.65 1.67 0.92 0.93 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 0.00 170 S 8.33 3.32 0.00 3.85 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 0.00 171 G 8.12 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 0.00 172 K 8.44 4.11 0.00 1.75 1.71 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.43 7.81 173 K 8.10 3.97 0.00 1.61 1.52 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 1.36 7.81 174 P 0.00 4.22 0.00 1.92 1.90 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 175 R 7.99 4.39 0.00 1.64 1.64 0.00 3.28 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 176 L 7.48 2.44 0.00 1.11 1.03 0.60 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 177 P 0.00 4.15 0.00 1.99 1.85 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 178 K 8.80 3.72 0.00 1.68 1.76 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.74 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.50 1.37 7.81 179 Q 7.98 4.22 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 180 A 7.71 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 0.00 181 V 7.57 3.93 1.99 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 0.80 0.00 0.00 0.79 0.00 0.00 182 Y 8.16 4.63 0.00 2.77 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 0.00 183 H 7.83 4.57 0.00 2.86 3.10 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 8.35 4.16 0.00 1.85 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 2.20 2.08 0.00 185 N 9.10 4.74 0.00 2.86 2.97 0.00 0.00 6.93 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 0.00 186 T 7.21 4.71 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 0.00 187 Y 8.44 3.64 0.00 2.87 2.82 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 0.00 188 N 8.43 4.60 0.00 2.66 2.66 0.00 0.00 7.06 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 8.28 4.30 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 0.89 0.00 0.00 0.97 0.00 0.00 190 N 8.58 4.37 0.00 2.82 2.96 0.00 0.00 6.92 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 T 8.63 3.99 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 1.21 0.00 0.00 192 D 8.20 4.39 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 0.00 193 D 8.60 4.38 0.00 2.96 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 0.00 194 F 8.15 4.06 0.00 3.17 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 0.00 195 R 8.22 4.12 0.00 1.91 2.06 0.00 3.30 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 196 H 8.31 4.36 0.00 3.29 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 T 7.65 3.72 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 1.04 0.00 0.00 *199 N 8.08 4.67 0.00 3.02 2.89 0.00 0.00 7.03 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 0.00 200 T 7.82 3.80 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 1.17 0.00 0.00 201 Y 8.11 4.21 0.00 2.87 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 D 8.20 4.33 0.00 2.89 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 0.00 203 K 7.93 4.02 0.00 1.95 1.93 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.34 7.81 204 T 7.89 3.84 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 205 I 7.75 3.60 1.71 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 0.60 0.11 1.16 0.00 0.00 206 S 8.08 4.56 0.00 4.21 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 D 8.45 4.37 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 Y 8.10 3.91 0.00 3.02 2.92 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 0.00 209 Y 8.13 4.06 0.00 3.12 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 0.00 210 R 8.16 3.99 0.00 2.03 2.11 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 211 E 7.82 3.86 0.00 2.06 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 212 R 7.71 3.85 0.00 1.17 1.68 0.00 3.21 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 213 T 7.74 4.37 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 1.28 0.00 0.00 214 N 8.81 3.99 0.00 2.95 2.81 0.00 0.00 7.11 8.20 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 0.00 215 G 8.62 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 0.00 216 K 7.53 4.18 0.00 1.92 1.86 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.51 7.81 217 R 7.57 4.50 0.00 1.70 1.79 0.00 3.09 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.47 0.00 218 E 8.64 4.83 0.00 2.08 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 0.00 2.16 2.27 0.00 219 E 8.10 4.17 0.00 2.11 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 1.98 2.06 0.00 220 T 8.33 4.43 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 221 W 8.62 4.20 0.00 3.03 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 0.00 222 S 8.86 4.11 0.00 3.96 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 0.00 223 D 8.01 4.31 0.00 2.90 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 Q 7.90 3.88 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 225 I 7.45 3.54 1.41 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.36 0.75 0.00 0.00 226 L 7.73 4.11 0.00 1.74 1.72 0.93 1.11 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 0.00 227 N 8.12 4.50 0.00 2.83 2.85 0.00 0.00 7.23 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 0.00 228 F 8.18 4.32 0.00 3.02 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 *230 K 7.96 4.18 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.56 7.81 231 Q 7.40 4.08 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 232 K 8.35 3.94 0.00 1.75 1.83 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 233 P 0.00 4.44 0.00 2.14 1.98 0.00 3.49 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 1.97 2.05 0.00 234 R 8.18 4.57 0.00 1.93 2.02 0.00 3.50 0.00 0.00 3.74 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 235 T 7.70 3.92 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 1.22 0.00 0.00 236 Y 8.37 4.28 0.00 3.31 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 0.00 237 L 6.99 3.70 0.00 1.61 1.61 0.85 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 238 N 7.81 4.26 0.00 2.75 2.89 0.00 0.00 7.00 8.01 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 0.00 239 D 7.95 4.56 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 Y 8.38 3.99 0.00 3.35 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 0.00 241 V 7.90 3.60 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 0.90 0.00 0.00 0.79 0.00 0.00 242 K 7.83 4.69 0.00 1.94 1.80 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.38 7.81 243 E 7.63 3.90 0.00 1.85 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 0.00 2.18 2.28 0.00 244 K 7.46 4.29 0.00 1.97 1.95 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.82 1.50 7.81 245 G 8.11 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 0.00 246 F 8.10 4.63 0.00 3.06 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 N 8.83 4.10 0.00 1.81 2.44 0.00 0.00 7.06 6.68 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 0.00 248 K 8.19 3.95 0.00 1.74 1.82 0.00 1.91 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.56 7.81 249 N 8.00 4.52 0.00 2.87 2.78 0.00 0.00 6.92 7.41 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 * Residues marked with a * may have inaccurate shift predictions.