NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.8099 8.2833 118.0801 53.1332 40.8415 172.7033 5 I 4.9360 8.2139 122.9965 58.6211 40.7878 169.0582 6 V 4.6432 9.0250 127.1065 60.9157 34.9557 173.3647 7 L 5.0564 9.0857 130.7377 53.9157 43.9529 174.3552 8 Y 4.8517 9.2252 124.5955 56.5579 40.6345 174.5056 9 Y 4.8430 7.7736 124.0286 56.8293 43.1066 173.2910 10 F 4.5959 6.9854 119.5876 56.8330 40.4130 176.4139 11 D 4.7596 8.3414 119.8397 52.8985 39.4608 175.0681 12 A 4.4082 7.8555 124.1096 51.3902 21.3576 175.7329 13 R 4.4093 7.1910 118.0042 53.6730 31.6201 181.1236 14 G 3.8044 7.7735 107.9030 47.4190 0.0000 174.7844 15 K 4.2625 9.3287 123.4334 56.8910 32.2480 177.7087 16 A 4.1413 7.3062 121.6612 52.8670 19.2330 179.0444 17 E 3.9184 7.6383 117.2459 59.3732 29.6180 178.7348 18 L 3.9946 7.8366 119.9448 57.9131 42.1299 178.8289 19 I 3.3132 7.4917 119.4028 64.3158 37.0357 178.3243 20 R 3.8591 7.7198 118.7681 59.1274 29.8819 179.0391 21 L 3.6085 7.8906 118.8539 57.7378 41.5781 179.6101 22 I 3.6444 7.6921 119.6662 64.4885 36.9686 178.2333 23 F 4.4231 7.8046 118.6217 60.7359 38.7219 177.5508 24 A 4.0105 8.1478 120.1471 55.4470 18.0028 178.7739 25 Y 4.0456 8.1390 116.8238 60.9073 38.9708 177.9611 26 L 4.0296 8.1187 116.4865 53.8021 42.6498 176.6256 27 G 3.9080 7.6281 107.2121 46.4397 0.0000 173.8470 28 I 4.1647 7.9959 121.0489 60.1083 38.8319 176.6233 *29 E 4.5004 8.4017 121.0900 55.2071 30.7942 172.7549 30 Y 4.8028 7.5920 119.3443 55.7975 41.0578 173.5974 31 T 4.0213 9.0081 118.0848 62.3476 70.1286 174.4966 32 D 4.5812 8.1470 128.1986 52.9420 39.8562 173.6278 33 K 4.0923 8.8189 123.5430 55.5555 33.6661 175.3377 34 R 4.8739 8.2415 126.2816 54.1146 32.7750 175.9120 35 F 4.3486 9.0140 123.3870 57.4855 40.2352 174.9921 36 G 4.1180 8.7911 108.8539 47.0103 0.0000 173.9323 37 V 3.7355 7.8743 120.3034 66.7289 32.7303 174.5907 38 N 4.1234 9.3098 121.4681 54.6783 35.9975 173.9344 39 G 4.0237 7.7114 107.9443 44.6202 0.0000 172.4438 40 D 5.0636 8.3141 123.3559 51.7623 41.3178 174.5151 41 A 4.9599 8.6429 118.2873 52.7984 25.1262 176.8155 42 F 4.6164 8.2610 124.8628 54.9344 42.5548 173.7809 43 V 3.1179 8.2813 122.2361 66.2688 30.2516 173.1726 44 E 4.6203 8.8556 129.4709 57.3874 26.7864 178.1711 45 F 3.5242 7.7803 119.3666 60.7860 39.0551 177.2547 46 K 3.7673 8.0298 118.9069 59.1154 32.0568 178.5787 47 N 4.2990 8.0335 116.5925 56.0333 38.5218 176.5145 48 F 4.1407 8.5072 122.5052 61.7730 39.1519 177.6378 49 K 3.1810 7.3950 115.6807 59.0932 31.7862 179.3104 50 K 4.0806 7.5536 120.5354 59.4706 31.9716 179.6044 *51 E 4.1867 7.7317 117.8056 59.1989 30.3755 179.3382 52 K 4.3305 7.6186 121.3868 54.4973 33.2407 176.7469 53 D 4.4632 8.1259 126.8137 53.4086 39.8075 175.0911 54 T 4.2125 7.4071 113.7347 59.8255 70.2537 174.9964 55 P 4.0842 0.0000 0.0000 64.7075 31.7739 176.8978 56 F 5.0353 7.5167 114.1185 56.0907 40.5378 174.0533 57 E 4.1549 8.3004 117.5029 56.5965 26.9196 174.1542 58 Q 5.1574 8.3370 114.0818 54.3326 32.6498 175.1978 59 V 4.8877 8.3100 111.9098 58.5090 35.1023 174.0146 60 P 4.9819 0.0000 0.0000 63.5039 32.0129 175.4826 61 I 4.8788 8.9261 122.5666 59.5858 40.4140 174.1362 62 L 5.1304 9.0937 129.2030 53.5593 44.1244 174.5217 63 Q 5.1142 9.4397 128.9875 54.7549 31.3263 174.1859 64 I 4.7205 8.6321 127.1714 59.6670 40.1980 177.2604 65 G 3.8741 9.1239 122.0715 47.6730 0.0000 175.7697 *66 D 4.6049 9.0752 124.0346 53.2269 40.7301 176.9772 67 L 4.2363 8.3547 121.4478 55.4095 42.5864 175.1157 68 I 4.6628 8.2539 126.9111 59.9193 38.6547 174.8345 69 L 4.7447 9.0321 127.3776 52.8937 44.1010 175.8698 70 A 5.0126 8.5608 124.6373 50.9532 22.6742 172.2639 71 Q 3.6597 8.9164 123.2354 55.8476 25.7124 174.6222 72 S 4.1425 8.8482 118.9553 62.0453 62.5963 176.7018 73 Q 4.1799 8.1963 120.9263 58.3369 28.5590 178.2953 74 A 4.0263 8.0259 121.5013 55.0456 18.4591 179.6379 75 I 3.6572 8.2029 118.8049 64.4281 37.1395 178.5630 76 V 3.3234 7.9172 119.3612 66.1382 31.3024 178.0298 77 R 3.3634 7.8702 117.7725 59.3232 29.9026 178.4132 78 Y 4.0110 8.0732 118.9921 60.7289 38.8529 178.0398 79 L 3.9674 8.0935 119.8774 58.0688 41.6468 179.8255 80 S 4.2299 8.2427 117.6633 61.8355 62.3262 177.6539 81 K 3.9223 7.9101 126.5439 59.5970 31.3372 181.7879 82 K 3.7758 7.3781 119.9835 58.5720 31.9232 177.5664 83 Y 4.5955 7.3484 114.0758 56.8251 39.0708 175.2856 84 N 4.3053 7.9295 114.9012 55.0098 36.5960 174.3320 85 I 4.8531 8.2554 107.2286 61.2634 38.6538 176.1577 86 C 4.9128 8.5839 112.7497 58.7983 30.3886 174.0479 87 G 4.2483 8.5183 106.0574 46.4163 0.0000 173.3170 88 E 4.7148 8.5176 118.7756 55.4409 30.4408 176.4292 89 S 4.7580 7.6050 113.1675 55.6007 67.5573 174.2072 90 E 3.9576 8.7585 122.2637 59.7564 29.2235 179.5315 91 L 3.8524 7.8509 119.5718 58.2901 42.2053 178.6221 92 N 4.6697 8.6579 116.8572 56.1352 38.5341 177.0180 93 E 4.6354 8.6118 122.6850 58.7298 29.6491 178.6800 94 F 4.0883 8.2733 120.5849 61.6102 39.4013 176.7027 95 Y 4.0258 8.3284 116.5352 60.9183 37.6587 178.3148 96 A 3.8634 8.4700 122.1816 55.2006 18.3403 179.2113 97 D 4.6335 7.7227 117.0891 57.2981 41.4270 177.6980 98 M 3.7650 8.1238 119.3383 58.9728 31.9675 178.3841 99 I 3.8064 8.0038 119.7858 64.4408 37.3082 178.1965 100 F 4.3094 8.3141 121.4641 61.5608 39.0048 177.0009 101 C 4.1193 8.5784 117.0150 62.3844 27.8113 176.1494 102 G 3.9387 8.3503 107.4511 48.0051 0.0000 175.4951 103 V 3.6602 8.3266 121.7477 66.1672 31.4163 178.1818 104 Q 3.8881 7.8581 117.2157 59.0351 28.2557 178.1079 105 D 4.1478 7.6432 120.5462 57.3972 40.7481 178.8379 106 I 3.4140 6.8990 113.1097 63.7723 37.6796 177.6961 107 H 4.1446 8.3968 120.8544 59.2629 29.5036 176.4725 108 Y 3.9398 8.0498 121.3136 60.7256 38.4176 178.2640 109 K 3.9768 7.7089 118.0274 59.4443 32.2286 178.7677 110 F 3.2685 8.2552 120.2696 61.0406 39.4344 176.6640 111 N 4.1055 7.9381 114.1578 54.6600 38.2980 175.4110 112 N 4.7315 7.0216 116.5568 53.0827 39.0562 174.3876 113 T 4.3063 7.2879 110.7001 61.4282 67.5982 173.6557 114 A 4.1125 7.6860 122.1496 51.8802 18.8639 177.6658 115 A 4.4791 8.3405 123.7911 51.8192 22.7703 176.0739 116 N 4.2282 8.4122 116.6555 53.5342 36.9270 175.4560 117 E 4.0875 7.6604 122.0100 57.2836 31.4893 176.5029 118 T 3.9340 8.5689 123.2306 66.9495 68.5907 177.0071 119 T 3.8603 7.8898 117.2989 66.4217 68.4972 176.0509 120 F 4.1228 8.3246 122.0894 61.6794 39.1698 177.1654 121 L 3.7245 7.8002 116.8196 57.0903 41.4812 178.3867 122 N 4.7070 8.5568 114.5634 53.8494 39.2815 174.0524 123 E 4.5001 8.3352 118.9031 57.3695 32.6666 177.3840 124 D 4.5519 8.0104 117.3451 57.3662 41.1945 178.6195 125 L 3.6851 7.6031 121.1100 57.5584 42.1190 176.8498 126 P 4.4084 0.0000 0.0000 66.0962 30.8047 178.1188 127 K 3.5684 7.7171 119.0467 59.0593 32.2379 179.0215 128 W 3.5559 8.3302 119.4561 59.5428 28.8511 178.7386 129 S 4.5765 7.7643 116.8393 60.8302 62.0472 176.8593 130 G 3.6245 7.7101 108.3240 47.9593 0.0000 174.9974 131 Y 4.2821 7.1291 119.3232 61.1865 37.9145 179.2247 132 F 4.5891 8.0350 118.2583 60.3759 39.0480 177.2862 133 E 3.9716 8.6122 119.4731 59.3786 29.4246 178.9605 134 K 4.0156 8.3144 119.4591 59.4555 32.0492 178.7984 135 L 4.0463 8.0490 118.3502 57.7612 41.9459 179.1636 136 L 3.8217 8.4870 119.2405 57.6024 41.6465 179.3168 137 K 3.8684 8.4932 119.8758 59.7229 31.8465 178.8822 138 K 4.0394 7.9804 117.4637 58.6703 31.9439 177.7651 139 N 4.6492 7.6412 114.7121 52.7578 39.3188 174.9078 140 H 4.3146 7.5729 115.4949 57.0047 29.0246 177.1593 *141 T 4.0410 8.0193 116.7825 61.8509 65.7239 168.7990 *142 N 4.4300 8.3704 130.1579 51.4327 37.8975 175.6672 143 N 4.8484 8.2349 125.5272 51.1140 37.4406 175.2853 *147 K 4.2594 7.6836 120.5027 55.0950 34.0814 177.9555 148 Y 4.0468 5.3700 116.7369 56.4073 40.6306 173.8596 149 Y 5.2714 8.0105 122.0161 55.9775 41.3497 176.2047 150 F 4.1338 9.9058 123.8923 59.6507 38.6755 176.2256 151 V 4.4747 7.6147 119.8252 61.8252 34.8442 174.4869 152 G 3.8890 8.6801 115.9411 47.2374 0.0000 173.5496 153 N 4.9452 8.5785 119.4264 52.4740 40.0780 172.9901 154 N 4.1953 6.9490 111.3598 50.5828 42.8967 174.0304 155 L 4.4715 8.2901 121.6783 55.5302 42.9234 176.1004 156 T 4.8231 8.7425 115.3731 59.3312 71.5442 174.6609 157 Y 4.1399 9.0301 121.2609 60.0907 37.4898 178.6752 158 A 3.7504 6.7983 121.9744 55.0463 18.3017 179.2104 159 D 4.6230 8.0987 117.1992 57.7202 40.8616 178.9783 160 L 4.1485 7.8376 118.5844 57.1496 41.7103 179.2197 161 A 4.0774 8.2642 121.2474 55.2347 18.4205 179.8606 162 V 3.2742 7.8678 116.9360 65.8093 31.4455 177.7574 163 F 4.3225 8.5288 120.6295 61.4640 39.1920 176.3264 164 N 4.0301 8.4915 116.6708 57.1150 38.6235 175.7061 165 L 3.3140 7.8918 120.8860 59.2696 42.0209 178.7058 166 Y 3.7310 8.0032 116.1606 60.4699 37.7355 178.0855 167 D 4.0550 7.9368 119.6544 57.2135 41.0535 177.5515 168 D 4.2778 7.8540 117.3754 57.9415 41.3747 177.9263 169 I 2.7875 7.6866 120.3413 63.8285 37.3059 178.6022 170 E 4.0580 9.0037 120.9632 60.3346 29.2618 180.1146 171 T 3.6812 7.5275 108.9503 63.8701 68.7540 175.5848 172 K 4.2843 8.4755 122.0616 56.5307 33.8390 175.6656 173 Y 4.8151 6.6607 117.3184 54.8657 38.0627 173.0333 174 P 4.6271 0.0000 0.0000 63.3559 32.5016 176.8569 175 S 4.0771 8.8500 114.6129 59.4114 60.7942 172.8046 176 S 4.2812 8.3099 118.6003 61.5965 62.8010 175.2236 177 L 4.5433 8.0663 117.6835 54.6068 41.9626 178.1572 178 K 3.7709 7.8963 119.2498 59.9451 31.9757 177.6739 179 N 4.5626 7.7537 112.4775 53.1334 38.4198 176.0430 180 F 4.7941 7.8050 119.2193 53.9725 40.1731 173.5493 181 P 4.1810 0.0000 0.0000 65.8020 31.4283 178.6092 182 L 3.7441 8.3463 119.0930 57.0751 41.4363 179.2654 183 L 3.8846 8.2346 120.4020 57.8568 41.9715 179.0004 184 K 3.8578 8.2734 119.6431 59.3809 32.1250 178.7187 185 A 3.8134 7.6890 121.1156 55.1487 18.1091 179.0518 186 H 4.0018 8.0477 117.1244 59.4841 30.0178 176.9447 187 N 4.5209 8.3065 118.9413 56.6986 38.5722 176.4961 188 E 3.9797 8.3900 122.0862 58.5893 29.6017 178.0265 189 F 4.2184 8.3116 119.8340 61.8887 39.5257 176.9926 190 I 3.2947 7.8902 119.2369 64.1029 36.9051 178.6736 191 S 3.8084 7.9782 114.6804 60.5719 62.6177 175.3039 192 N 4.7605 7.4263 117.9218 52.1765 39.3108 175.3265 193 L 3.9062 6.9064 122.1469 54.3987 42.5205 176.0040 194 P 4.2329 0.0000 0.0000 66.0815 31.4126 178.4762 195 N 4.3453 8.1019 114.4015 56.3454 38.4926 177.4391 196 I 3.8460 7.6700 120.6538 63.9660 37.5291 177.7408 197 K 3.9699 8.2313 122.4547 59.0319 32.0268 178.0174 198 N 4.3113 8.3534 116.8941 56.8925 38.8467 176.0995 199 Y 4.1406 7.9073 120.5278 60.7583 38.6067 178.3085 200 I 3.7096 7.7693 120.0987 64.4554 37.3905 178.0748 201 T 3.9902 7.5085 108.9645 64.9589 68.6240 175.7512 202 N 4.4413 7.7746 116.8326 53.5256 39.1667 175.7306 203 R 3.8485 6.7145 120.9628 55.4886 30.8307 176.2726 204 K 4.1407 8.4129 122.0760 57.2021 32.7656 176.7167 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 4 N 8.28 4.81 0.00 2.75 2.81 0.00 0.00 6.77 6.60 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 5 I 8.21 4.94 1.77 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 1.26 1.13 0.76 0.00 0.00 6 V 9.02 4.64 1.85 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 0.88 0.00 0.00 7 L 9.09 5.06 0.00 1.92 1.74 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 9.23 4.85 0.00 2.80 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 0.00 0.00 0.00 9 Y 7.77 4.84 0.00 2.91 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 10 F 6.99 4.60 0.00 2.43 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 11 D 8.34 4.76 0.00 3.03 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 12 A 7.86 4.41 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 13 R 7.19 4.41 0.00 1.97 1.93 0.00 3.62 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.66 0.00 14 G 7.77 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 15 K 9.33 4.26 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.65 7.81 16 A 7.31 4.14 0.73 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 0.00 0.00 17 E 7.64 3.92 0.00 2.07 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 2.42 2.49 0.00 18 L 7.84 3.99 0.00 1.87 1.67 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.49 3.31 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.39 0.43 0.00 0.00 20 R 7.72 3.86 0.00 1.95 2.05 0.00 3.53 0.00 0.00 3.58 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 21 L 7.89 3.61 0.00 1.80 1.68 1.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.69 3.64 1.64 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.80 0.00 0.00 23 F 7.80 4.42 0.00 2.89 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 24 A 8.15 4.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.14 4.05 0.00 2.86 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 26 L 8.12 4.03 0.00 1.53 1.42 0.82 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.63 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 28 I 8.00 4.16 1.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.58 0.63 0.00 0.00 *29 E 8.40 4.50 0.00 1.98 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 2.19 1.85 0.00 30 Y 7.59 4.80 0.00 2.77 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 0.00 0.00 0.00 0.00 31 T 9.01 4.02 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 32 D 8.15 4.58 0.00 2.45 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 33 K 8.82 4.09 0.00 1.63 1.30 0.00 1.42 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.19 7.81 34 R 8.24 4.87 0.00 1.68 1.81 0.00 3.28 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 35 F 9.01 4.35 0.00 2.92 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 36 G 8.79 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 37 V 7.87 3.74 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 0.81 0.00 0.00 1.00 0.00 0.00 38 N 9.31 4.12 0.00 2.83 3.07 0.00 0.00 7.11 7.98 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 39 G 7.71 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.51 4.14 0.00 3.04 3.05 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 49 K 7.39 3.18 0.00 1.63 1.60 0.00 1.52 0.00 0.00 1.40 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 0.83 7.81 50 K 7.55 4.08 0.00 1.77 1.79 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.52 7.81 *51 E 7.73 4.19 0.00 2.08 1.85 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 2.24 2.18 0.00 52 K 7.62 4.33 0.00 0.79 0.74 0.00 1.78 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.94 1.13 7.81 53 D 8.13 4.46 0.00 2.57 2.48 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 54 T 7.41 4.21 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 1.06 0.00 0.00 55 P 0.00 4.08 0.00 0.95 1.80 0.00 3.65 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 1.41 1.69 0.00 56 F 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0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.48 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.41 4.23 0.00 3.08 3.39 0.00 0.00 6.88 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 0.00 117 E 7.66 4.09 0.00 2.56 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 2.40 2.53 0.00 118 T 8.57 3.93 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 1.22 0.00 0.00 119 T 7.89 3.86 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 1.27 0.00 0.00 120 F 8.32 4.12 0.00 3.10 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 0.00 121 L 7.80 3.72 0.00 1.58 1.57 0.65 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.56 4.71 0.00 2.63 2.84 0.00 0.00 6.73 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 0.00 123 E 8.34 4.50 0.00 1.99 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 2.22 2.33 0.00 124 D 8.01 4.55 0.00 2.72 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 0.00 125 L 7.60 3.69 0.00 0.92 1.32 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.41 0.00 2.33 2.41 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 127 K 7.72 3.57 0.00 1.81 2.03 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.02 1.02 7.81 128 W 8.33 3.56 0.00 3.58 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 0.00 129 S 7.76 4.58 0.00 2.99 2.63 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 0.00 130 G 7.71 3.62 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 0.00 0.00 0.00 131 Y 7.13 4.28 0.00 2.58 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.03 4.59 0.00 3.33 3.40 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 0.00 133 E 8.61 3.97 0.00 2.29 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 0.00 2.50 2.46 0.00 134 K 8.31 4.02 0.00 2.26 1.93 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 135 L 8.05 4.05 0.00 2.19 2.05 1.03 0.92 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 0.00 136 L 8.49 3.82 0.00 1.75 1.57 0.63 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.49 3.87 0.00 1.86 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 138 K 7.98 4.04 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.62 7.81 139 N 7.64 4.65 0.00 2.71 2.78 0.00 0.00 7.57 7.87 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 0.00 140 H 7.57 4.31 0.00 3.28 3.59 0.00 5.73 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *141 T 8.02 4.04 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 1.21 0.00 0.00 *142 N 8.37 4.43 0.00 2.91 2.78 0.00 0.00 6.76 7.99 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 0.00 143 N 8.23 4.85 0.00 2.65 2.68 0.00 0.00 6.14 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 *147 K 7.68 4.26 0.00 1.54 1.66 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.53 7.81 148 Y 5.37 4.05 0.00 2.68 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 0.00 149 Y 8.01 5.27 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 9.91 4.13 0.00 3.10 3.20 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 0.00 151 V 7.61 4.47 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 1.19 0.00 0.00 1.09 0.00 0.00 152 G 8.68 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 0.00 153 N 8.58 4.95 0.00 2.57 2.62 0.00 0.00 6.51 8.00 0.00 0.00 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 N 6.95 4.20 0.00 2.48 2.53 0.00 0.00 6.80 7.73 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 0.00 155 L 8.29 4.47 0.00 1.77 1.52 0.38 0.28 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 0.00 156 T 8.74 4.82 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 157 Y 9.03 4.14 0.00 3.04 3.12 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 0.00 158 A 6.80 3.75 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 0.00 159 D 8.10 4.62 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.84 4.15 0.00 1.84 1.74 0.82 0.70 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 0.00 161 A 8.26 4.08 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.87 3.27 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 0.94 0.00 0.00 0.00 0.00 0.00 163 F 8.53 4.32 0.00 3.19 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 0.00 164 N 8.49 4.03 0.00 3.07 3.01 0.00 0.00 6.90 7.52 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 0.00 165 L 7.89 3.31 0.00 1.56 1.53 0.37 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 166 Y 8.00 3.73 0.00 3.22 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 0.00 167 D 7.94 4.05 0.00 1.83 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 7.85 4.28 0.00 2.74 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 0.00 169 I 7.69 2.79 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.10 1.02 0.00 0.00 170 E 9.00 4.06 0.00 2.17 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 2.45 2.41 0.00 171 T 7.53 3.68 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 1.25 0.00 0.00 172 K 8.48 4.28 0.00 1.57 1.66 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.30 0.79 7.81 173 Y 6.66 4.82 0.00 3.29 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 0.00 174 P 0.00 4.63 0.00 2.09 2.03 0.00 3.92 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 175 S 8.85 4.08 0.00 4.17 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 0.00 176 S 8.31 4.28 0.00 4.02 4.16 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 0.00 177 L 8.07 4.54 0.00 1.72 1.67 0.97 0.22 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 0.00 178 K 7.90 3.77 0.00 1.91 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.56 7.81 179 N 7.75 4.56 0.00 1.68 2.34 0.00 0.00 6.65 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 F 7.81 4.79 0.00 3.04 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 0.00 181 P 0.00 4.18 0.00 2.23 2.27 0.00 3.80 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 2.22 2.02 0.00 182 L 8.35 3.74 0.00 1.72 1.70 0.96 0.44 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 0.00 183 L 8.23 3.88 0.00 1.94 1.71 1.01 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 184 K 8.27 3.86 0.00 2.11 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 185 A 7.69 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 H 8.05 4.00 0.00 3.07 3.44 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 N 8.31 4.52 0.00 3.10 2.93 0.00 0.00 6.92 7.31 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 0.00 188 E 8.39 3.98 0.00 2.23 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 0.00 2.35 2.21 0.00 189 F 8.31 4.22 0.00 3.11 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 0.00 190 I 7.89 3.29 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.26 0.37 0.00 0.00 191 S 7.98 3.81 0.00 4.19 4.47 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 0.00 0.00 0.00 0.00 192 N 7.43 4.76 0.00 2.70 2.87 0.00 0.00 7.00 8.73 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 0.00 193 L 6.91 3.91 0.00 1.54 1.57 0.71 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 194 P 0.00 4.23 0.00 2.13 2.11 0.00 3.59 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 2.11 2.19 0.00 195 N 8.10 4.35 0.00 2.72 3.03 0.00 0.00 7.12 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 0.00 196 I 7.67 3.85 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.66 0.00 0.00 197 K 8.23 3.97 0.00 1.94 2.00 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.35 7.81 198 N 8.35 4.31 0.00 2.97 2.99 0.00 0.00 6.92 7.07 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 0.00 199 Y 7.91 4.14 0.00 3.20 3.18 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 0.00 200 I 7.77 3.71 2.09 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 2.05 1.17 1.01 0.00 0.00 201 T 7.51 3.99 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 1.32 0.00 0.00 202 N 7.77 4.44 0.00 2.78 2.84 0.00 0.00 7.02 7.08 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 0.00 203 R 6.71 3.85 0.00 1.27 1.78 0.00 3.39 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.00 204 K 8.41 4.14 0.00 1.89 1.75 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.