NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7096 8.5445 117.8502 55.8003 30.4482 172.4120 3 N 4.7926 8.6357 114.9892 52.2629 40.0682 176.4906 4 K 4.5895 8.5068 125.1066 54.0244 36.5672 178.4519 5 K 4.1052 8.7951 116.9253 56.6007 32.0714 172.8763 6 F 4.4062 8.7272 125.1432 57.9585 40.2505 174.8045 7 D 3.9870 6.9830 122.7529 53.4035 42.0825 175.6801 8 R 3.5316 7.9057 128.3860 59.1131 30.7636 178.3498 9 S 4.0765 8.0820 112.2927 61.5065 62.2840 175.9115 10 E 4.0943 8.0123 117.3496 58.5818 29.1420 177.1059 11 H 4.6601 8.0404 114.3618 55.3051 29.7473 174.7052 12 V 4.0806 7.4006 119.9110 61.8495 32.2413 174.5700 13 Y 4.7215 8.4376 126.8486 55.7374 41.1363 174.2921 14 R 4.2748 8.0095 122.7976 54.0367 32.4374 175.8954 15 N 4.5626 7.7973 117.3962 51.5266 40.7014 174.5663 16 D 4.4146 8.5173 128.7586 57.1712 41.0848 178.6347 17 S 4.4403 8.0885 116.8448 60.9228 62.9598 176.2384 18 F 4.1111 8.3454 123.0699 61.1798 39.1498 177.1095 19 L 4.1112 8.0433 118.7651 57.9569 41.0373 179.4350 20 E 3.9701 8.3303 118.4444 59.1643 29.5088 178.7747 21 L 3.9735 7.9438 120.4559 58.4510 42.0428 179.1257 22 I 3.7482 7.7379 119.0297 64.5040 37.1190 178.0844 23 K 3.8776 7.9860 120.3010 59.8952 31.8276 178.1414 24 D 4.3845 8.3350 117.9278 57.1742 41.1903 178.0846 25 A 4.2517 8.0614 120.9881 55.1357 18.5392 179.8539 26 V 3.7679 8.2286 119.3082 66.8985 31.4443 179.1993 27 R 4.0790 8.0947 119.2770 61.2586 29.5741 179.7691 28 F 4.4687 8.8553 122.0294 61.2615 39.2634 176.6824 29 F 3.8924 8.9415 120.3861 61.8718 38.9623 177.1602 30 S 4.3645 8.0987 112.7638 61.3122 62.7467 176.2337 31 G 3.7816 7.5411 105.8866 44.0386 0.0000 174.2334 32 T 3.6855 6.6959 111.7149 59.9715 69.4471 172.7062 33 P 4.0237 0.0000 0.0000 63.0776 31.6101 176.0779 34 V 3.7785 7.8521 122.0000 63.1440 31.7401 174.5729 35 H 5.1126 9.1021 123.8337 53.4943 33.4301 172.9789 36 S 4.5474 8.7790 115.1481 58.5565 64.1176 173.0186 37 L 4.6169 8.4297 121.5231 52.6006 43.0098 174.0986 38 P 4.6910 0.0000 0.0000 60.7251 32.6996 173.8587 39 P 4.4834 0.0000 0.0000 61.9448 31.6116 176.0839 40 P 4.5162 0.0000 0.0000 64.8528 31.4756 176.1875 41 E 4.7648 7.5684 116.2189 54.5215 33.4295 175.4380 42 R 4.1843 8.4006 120.4935 56.2192 31.0823 175.7805 43 F 4.8213 7.3711 112.1490 56.3674 40.0720 173.3797 44 Q 4.4574 9.6594 121.2468 54.0203 29.9857 175.6821 45 G 4.4507 6.9655 109.5205 44.2649 0.0000 171.2617 46 A 5.2056 8.6072 122.1627 49.6285 22.4180 176.8923 47 G 4.5091 7.4100 105.3832 46.4205 0.0000 171.6920 48 V 5.1658 8.2775 120.2362 61.4602 35.5341 175.7495 49 F 5.9925 8.7054 118.7308 56.0699 42.1012 172.6873 50 A 5.2096 9.9548 120.4388 50.3853 22.8759 175.0017 51 L 5.2598 9.1429 120.6518 53.2410 44.9466 175.2910 52 Y 4.9818 9.4714 119.8462 56.3132 41.7283 173.7815 53 Y 4.7488 8.3158 123.6144 55.7854 40.7409 175.0761 54 T 4.2818 7.8916 115.0229 61.3038 70.1271 174.5665 55 G 3.4951 5.3800 111.1303 45.2815 0.0000 173.6506 56 H 5.2985 8.5714 115.4359 54.3332 29.9527 173.3549 57 Y 4.3047 8.4061 121.7730 58.1462 39.3394 176.7886 58 S 3.9850 8.4524 122.1800 61.6587 62.7590 176.8857 59 L 3.9208 6.6684 119.6039 56.2364 41.6835 177.5157 60 Y 5.1482 7.8683 115.3840 57.9014 38.3241 177.0145 61 D 4.5390 8.0768 121.4816 56.9941 41.0998 177.7512 62 E 3.7703 7.7399 119.2399 58.9112 29.4013 178.0640 63 Y 4.2691 8.0281 117.5613 61.0073 37.7443 178.2234 64 S 3.6080 7.7859 114.2383 60.8771 63.0760 176.1672 65 R 4.1474 7.6681 121.7485 58.7268 30.0930 178.0093 66 I 3.7317 7.7368 118.2271 64.1715 37.1869 176.8023 67 N 5.4563 8.5671 116.0676 52.3587 38.8550 176.5387 68 R 3.9202 7.8565 121.5858 58.6456 30.1893 177.3466 69 K 4.3376 7.5581 113.5266 56.2796 34.2329 175.4488 70 A 4.3359 7.0226 119.5331 51.5984 21.8722 175.2872 71 Y 4.2778 8.0188 119.1205 57.0128 36.4629 175.5660 72 N 4.4657 8.0630 120.5928 55.3036 39.5996 175.4621 73 L 4.6954 7.8176 120.3099 52.1987 43.5002 174.2275 74 P 4.0539 0.0000 0.0000 62.8153 32.2084 175.7156 75 I 3.9700 8.1295 119.1683 61.6842 39.8165 174.3021 76 Y 5.1449 7.2470 120.9819 56.6586 42.1632 173.1754 77 V 4.4214 7.3764 123.8722 61.0728 34.7360 174.4264 78 G 4.2556 7.4266 113.0921 44.7864 0.0000 171.0507 79 K 5.4217 8.3276 117.8369 55.0702 36.5832 175.7433 80 A 4.6552 9.1644 121.8780 50.5234 21.7657 175.8316 81 V 4.3670 8.4778 122.6624 61.3564 32.8346 175.2861 82 P 4.0737 0.0000 0.0000 65.7756 31.5639 176.5167 83 A 3.4421 7.3241 120.2237 49.7488 19.8499 175.7258 84 G 3.7709 10.5612 113.0921 47.1916 0.0000 173.3725 *85 W 4.5173 8.7664 126.5821 55.9256 34.8960 172.6991 86 R 3.7844 9.1068 116.8278 59.3942 26.1814 183.0940 *87 Q 3.4713 7.5365 117.8740 56.7695 25.6917 175.6987 *88 S 4.7874 7.5597 119.5457 56.2713 66.7092 176.8698 *89 R 3.9934 8.6175 120.4241 57.0753 29.1726 174.8360 90 I 3.0067 7.9034 123.7507 62.9789 33.7436 172.6245 91 S 4.4819 8.3172 121.1601 57.8566 62.0391 173.2693 *92 D 4.9683 8.8515 128.4571 53.4048 38.5662 173.9622 *93 H 4.5520 7.7043 115.0290 55.2555 28.8433 179.5215 *94 E 4.4402 8.6279 113.4578 56.2986 27.2344 174.8468 *95 T 4.4404 7.0576 116.0373 62.1029 70.6505 176.1618 *96 R 4.6139 7.5910 119.4750 55.2663 30.8334 174.6946 97 A 4.5313 8.1620 123.4983 50.1074 22.2956 176.6241 98 G 4.0132 8.7572 109.1478 45.5752 0.0000 173.6362 99 S 5.2360 8.2059 114.9855 56.6531 63.2209 175.3816 100 E 3.9817 7.9597 120.4714 59.7959 30.0111 178.3385 101 L 4.0636 8.1895 121.7701 58.0539 42.2465 178.5492 102 S 3.3623 7.4308 112.4914 61.3303 61.9804 175.4743 103 N 4.0924 7.6428 118.4764 56.4850 38.2925 177.2354 104 R 3.8132 7.6541 118.5060 59.6247 30.2615 178.9517 105 I 3.3048 7.5121 119.0929 64.5483 37.0535 178.6845 106 R 3.8579 7.7307 118.6443 59.1335 29.8899 178.6749 107 E 3.8499 8.3519 119.5572 59.6088 29.5615 178.6759 108 H 4.1623 8.5499 116.8452 58.5302 28.6901 177.9561 109 G 3.6217 8.0944 107.6187 48.0733 0.0000 175.8372 110 R 4.0153 7.8563 119.5116 59.0733 30.1190 178.6550 111 N 4.5832 8.0170 115.8169 56.2665 38.4958 177.5945 112 I 3.8919 8.0118 121.1691 64.3121 36.9905 178.2166 113 A 4.1409 8.2280 120.8107 54.5521 18.2105 178.9106 114 K 4.2686 7.4825 115.4064 56.6750 32.7964 177.3341 115 T 4.4548 7.6866 109.4606 60.7152 69.4893 174.7191 116 S 4.5141 8.3503 116.0986 58.7052 63.8888 174.3106 117 N 4.8806 7.8972 116.1572 52.1731 38.0798 173.9591 118 L 4.8251 7.8000 119.0037 53.0581 44.9213 175.1421 119 D 4.9298 8.8186 122.1216 52.2514 42.6548 176.7248 120 L 4.3799 8.8135 128.7923 58.3821 42.3052 178.4849 121 C 4.1845 8.3528 115.6797 62.5995 28.2468 174.1871 122 D 4.6879 8.9819 118.3839 53.9936 40.5554 175.4080 123 F 6.0311 8.0554 117.5133 55.2690 42.0525 174.6883 124 S 5.1339 8.7432 116.0395 57.3845 67.9147 172.3511 125 C 5.5205 10.2180 115.1752 57.1912 33.2339 173.2667 126 R 5.0684 8.9621 119.0906 54.8179 32.9770 174.9441 127 F 5.6772 7.6460 114.5681 55.8841 41.0783 173.5444 128 V 4.4833 9.3628 119.9729 61.3141 35.0128 174.0533 129 I 4.9310 8.4024 127.6808 60.0783 38.5244 174.8157 130 F 4.7491 9.2264 126.7940 55.9125 40.4603 175.4882 131 E 4.6989 8.9422 122.6473 54.8816 33.1056 177.8967 132 A 3.6125 8.2223 123.6347 53.5632 18.0502 181.1453 133 T 3.9785 8.6004 113.1812 68.5801 68.6709 176.3352 134 G 3.8461 8.0825 109.8850 47.4825 0.0000 175.7680 135 S 4.2965 8.2775 115.2375 60.9510 63.1974 176.0924 136 D 4.4092 7.7204 120.3721 57.7180 40.8253 177.7541 137 M 4.2605 8.0379 116.7360 56.2227 32.5944 178.2680 138 I 3.2262 7.7299 121.0545 64.4502 37.1830 177.9677 139 S 4.0469 8.0657 115.2202 62.1629 62.6354 176.9896 140 T 3.7848 7.7385 117.4113 66.6750 68.2368 176.6084 141 V 3.5199 7.6611 119.9256 65.8566 31.5281 177.2001 142 E 3.7155 8.1779 118.9784 59.6210 29.3865 178.9076 143 A 3.9234 8.1963 120.2983 55.0279 18.4241 179.4085 144 A 3.9277 8.4519 119.7265 55.1887 18.4189 179.9412 145 L 3.9240 8.0896 117.6843 58.1264 41.7718 179.8529 146 I 3.7539 7.8377 119.6297 63.9125 36.6685 178.5716 147 K 3.9342 7.7452 120.0697 59.4816 32.1813 178.6450 148 I 3.6431 7.5662 118.7831 64.0143 37.0561 177.1801 149 Y 4.6240 7.9154 114.7870 56.4706 40.3473 175.8468 150 K 3.9505 8.0677 118.2094 56.8335 30.2252 173.4215 151 P 4.4409 0.0000 0.0000 62.1194 32.8328 177.5452 152 L 3.4062 7.9076 124.2093 58.1430 41.8678 179.5167 153 W 5.0584 7.8323 114.8430 58.5151 29.2959 177.2395 154 N 4.8135 8.4750 116.0257 55.0105 38.3613 175.9779 155 T 4.6285 7.9358 104.3973 61.1287 70.6213 174.3872 156 V 4.2553 8.5075 120.0989 63.8976 33.9505 175.7653 157 V 4.5308 7.4302 117.8361 59.9865 31.3990 173.5370 158 D 4.5430 8.0729 122.4758 55.3913 41.8932 177.2519 159 G 3.9204 9.2505 109.6817 46.4814 0.0000 175.7156 160 F 3.0977 7.9479 122.2157 60.7388 39.1437 176.1945 161 G 3.7136 7.8437 107.3812 46.9792 0.0000 173.0449 162 N 4.4457 8.1302 119.6898 52.8297 39.1552 175.3553 163 H 4.4815 8.2050 120.3868 54.9870 28.8126 174.7651 164 T 2.0000 7.7255 116.6401 62.7589 68.3362 173.8056 165 P 4.1240 0.0000 0.0000 63.6016 31.8260 178.0790 166 G 3.9439 7.5125 101.3704 44.9517 0.0000 172.4839 167 A 4.2750 8.1816 122.3766 53.5152 18.7871 178.3169 168 G 4.1720 9.4038 107.9779 45.6604 0.0000 174.6935 169 R 4.5920 8.1279 117.0545 55.5961 31.6747 177.1069 170 F 4.3643 8.4712 114.9580 59.0853 37.8903 176.2430 171 A 4.0521 7.2238 122.0950 51.8643 19.0197 177.1702 172 Q 4.3663 7.6991 114.7136 55.4236 30.4340 175.3110 173 A 4.6805 8.4325 122.5744 51.1493 19.2595 177.6933 174 K 4.2784 8.8493 122.1551 57.0428 33.4918 177.1668 175 S 4.5611 8.8684 116.9311 57.8218 64.4576 174.8529 176 D 4.4238 8.6760 120.4343 56.9926 40.3868 178.8704 177 W 3.8338 8.7189 129.5358 60.6394 30.5335 177.9021 178 D 4.3491 7.9865 117.5161 57.0771 40.2360 178.8336 179 V 3.6449 7.5715 119.5858 64.0979 31.5844 177.7486 180 I 3.9686 7.1791 111.0437 61.1769 39.2410 175.3521 181 H 4.5467 7.2639 116.8436 53.5323 28.7679 171.2807 182 P 4.2510 0.0000 0.0000 62.7324 32.3529 176.6493 183 G 3.9473 8.0458 107.6613 43.8556 0.0000 172.8063 184 R 3.9470 8.3299 125.4881 55.6111 30.7779 177.5214 185 E 3.9474 9.0061 123.0084 59.4104 29.9943 179.4968 186 W 4.2942 8.0890 115.8411 59.5367 28.0218 177.9185 187 A 4.0779 6.9132 121.1939 54.5133 17.4091 178.4602 188 E 4.3222 7.7350 114.3473 56.9273 29.9863 177.0609 189 K 4.4191 8.1390 118.2034 56.3472 32.8063 176.3891 190 C 4.7235 7.7936 118.9301 59.9949 28.1790 173.5786 191 T 4.3632 9.1124 115.5846 62.4835 69.5697 175.1625 192 G 3.7725 7.5340 108.9086 45.9905 0.0000 173.5353 193 V 3.9527 8.2930 120.5527 63.0135 31.6485 175.0970 194 H 5.0017 8.3696 123.7217 53.8709 30.6784 175.0998 195 S 4.3745 8.6740 115.4139 58.8887 63.6124 174.1910 196 E 4.7305 8.5303 120.9700 54.5568 32.1644 175.5410 197 P 4.2571 0.0000 0.0000 66.0103 31.4207 177.9927 198 Y 3.9731 8.2145 117.6458 61.0364 38.6293 178.4344 199 F 4.0641 8.2826 117.6492 60.6731 39.2232 177.5950 200 I 3.8342 7.9464 119.4405 64.4788 36.8816 178.3598 201 E 3.9855 8.6397 119.8401 59.3132 29.1749 179.0141 202 E 3.8392 7.8606 118.6203 59.5889 29.4636 179.7372 203 R 3.9848 7.9334 117.5081 59.3315 29.6317 179.0689 204 I 3.8579 7.9259 119.5079 64.5989 37.2398 178.6206 205 K 4.2335 8.3082 119.1808 59.6571 31.7886 179.2267 206 Q 4.0865 8.4621 119.9767 58.8657 28.6918 177.4713 207 Y 4.0163 8.1195 120.6586 60.8373 38.9406 177.9652 208 F 4.0348 7.6637 116.1250 59.9795 39.0437 177.8686 209 S 4.1940 7.6849 114.0163 60.7431 62.9211 174.3579 210 K 4.1887 8.1307 124.3709 56.8157 32.3047 175.8310 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 H 8.54 4.71 0.00 3.18 3.33 0.00 5.61 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.64 4.79 0.00 2.76 2.41 0.00 0.00 6.30 6.56 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 4 K 8.51 4.59 0.00 1.70 1.55 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.98 7.81 5 K 8.80 4.11 0.00 1.76 1.65 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.01 7.81 6 F 8.73 4.41 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 6.98 3.99 0.00 2.55 2.34 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 8 R 7.91 3.53 0.00 1.72 1.82 0.00 3.29 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 9 S 8.08 4.08 0.00 3.88 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 10 E 8.01 4.09 0.00 2.11 1.87 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 2.30 2.23 0.00 11 H 8.04 4.66 0.00 3.24 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.40 4.08 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 0.73 0.00 0.00 0.96 0.00 0.00 13 Y 8.44 4.72 0.00 2.83 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 14 R 8.01 4.27 0.00 1.73 1.70 0.00 3.00 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 15 N 7.80 4.56 0.00 2.36 2.72 0.00 0.00 7.06 8.49 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 16 D 8.52 4.41 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.09 4.44 0.00 4.09 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 18 F 8.35 4.11 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.04 4.11 0.00 1.95 1.74 0.90 0.96 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 20 E 8.33 3.97 0.00 2.19 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 2.35 2.34 0.00 21 L 7.94 3.97 0.00 1.75 1.80 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.74 3.75 2.16 0.00 0.00 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 1.56 0.92 0.96 0.00 0.00 23 K 7.99 3.88 0.00 2.01 2.01 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.50 7.81 24 D 8.33 4.38 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.06 4.25 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 0.00 0.00 0.00 0.00 0.00 26 V 8.23 3.77 2.29 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 1.04 0.00 0.00 0.98 0.00 0.00 27 R 8.09 4.08 0.00 1.96 1.83 0.00 3.34 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 28 F 8.86 4.47 0.00 3.18 3.43 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 29 F 8.94 3.89 0.00 3.45 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 30 S 8.10 4.36 0.00 4.23 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 31 G 7.54 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 6.70 3.69 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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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 2.14 2.20 0.00 108 H 8.55 4.16 0.00 3.31 3.53 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.09 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 0.00 110 R 7.86 4.02 0.00 1.93 2.02 0.00 3.16 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 111 N 8.02 4.58 0.00 2.97 2.94 0.00 0.00 6.97 7.82 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 0.00 112 I 8.01 3.89 1.90 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.74 0.77 0.00 0.00 113 A 8.23 4.14 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 0.00 114 K 7.48 4.27 0.00 1.99 1.88 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.72 7.81 115 T 7.69 4.45 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 1.22 0.00 0.00 116 S 8.35 4.51 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 0.00 117 N 7.90 4.88 0.00 2.55 2.82 0.00 0.00 5.86 7.79 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 0.00 118 L 7.80 4.83 0.00 1.71 1.94 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.82 4.93 0.00 2.84 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 0.00 120 L 8.81 4.38 0.00 1.84 1.76 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 121 C 8.35 4.18 0.00 3.18 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 0.00 122 D 8.98 4.69 0.00 2.93 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 0.00 0.00 0.00 123 F 8.06 6.03 0.00 3.14 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 0.00 124 S 8.74 5.13 0.00 3.72 3.55 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 0.00 125 C 10.22 5.52 0.00 3.32 3.14 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 0.00 126 R 8.96 5.07 0.00 1.96 1.22 0.00 3.23 0.00 0.00 2.99 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.00 127 F 7.65 5.68 0.00 3.35 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 0.00 128 V 9.36 4.48 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 0.67 0.00 0.00 0.97 0.00 0.00 129 I 8.40 4.93 1.92 0.00 0.00 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 1.61 1.04 1.01 0.00 0.00 130 F 9.23 4.75 0.00 3.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.94 4.70 0.00 2.04 1.88 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 2.36 2.29 0.00 132 A 8.22 3.61 1.15 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 0.00 133 T 8.60 3.98 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 1.22 0.00 0.00 134 G 8.08 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 0.00 0.00 0.00 135 S 8.28 4.30 0.00 4.11 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 0.00 136 D 7.72 4.41 0.00 2.76 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 0.00 137 M 8.04 4.26 0.00 1.68 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 138 I 7.73 3.23 1.83 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.67 0.97 0.00 0.00 139 S 8.07 4.05 0.00 3.81 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 0.00 140 T 7.74 3.78 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 141 V 7.66 3.52 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 1.19 0.00 0.00 0.84 0.00 0.00 142 E 8.18 3.72 0.00 1.94 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 2.17 2.14 0.00 143 A 8.20 3.92 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 0.00 144 A 8.45 3.93 1.36 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 0.00 0.00 145 L 8.09 3.92 0.00 1.73 1.65 0.14 0.96 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 0.00 146 I 7.84 3.75 1.94 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 1.29 1.06 0.90 0.00 0.00 147 K 7.75 3.93 0.00 1.87 1.87 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 148 I 7.57 3.64 1.60 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 1.34 0.56 -0.03 0.00 0.00 149 Y 7.92 4.62 0.00 3.02 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.07 3.95 0.00 2.04 1.98 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.59 7.81 151 P 0.00 4.44 0.00 2.21 1.91 0.00 3.67 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 2.06 2.11 0.00 152 L 7.91 3.41 0.00 1.39 1.55 0.24 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 153 W 7.83 5.06 0.00 3.74 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 0.00 154 N 8.48 4.81 0.00 2.93 2.90 0.00 0.00 6.75 7.15 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 0.00 155 T 7.94 4.63 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 1.26 0.00 0.00 156 V 8.51 4.26 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 0.85 0.00 0.00 0.83 0.00 0.00 157 V 7.43 4.53 2.38 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 1.10 0.00 0.00 1.09 0.00 0.00 158 D 8.07 4.54 0.00 2.84 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 0.00 159 G 9.25 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 0.00 160 F 7.95 3.10 0.00 1.51 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 7.84 3.71 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 0.00 0.00 0.00 162 N 8.13 4.45 0.00 3.08 2.63 0.00 0.00 6.88 8.87 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 0.00 163 H 8.21 4.48 0.00 2.93 3.05 0.00 5.73 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 0.00 164 T 7.73 2.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 165 P 0.00 4.12 0.00 1.95 2.02 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.79 0.00 166 G 7.51 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 0.00 167 A 8.18 4.27 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 0.00 168 G 9.40 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 0.00 169 R 8.13 4.59 0.00 2.03 1.81 0.00 3.21 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 170 F 8.47 4.36 0.00 3.47 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 0.00 171 A 7.22 4.05 0.72 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 0.00 0.00 172 Q 7.70 4.37 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.65 2.37 0.00 173 A 8.43 4.68 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 0.00 174 K 8.85 4.28 0.00 1.79 1.90 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 175 S 8.87 4.56 0.00 4.23 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.68 4.42 0.00 2.83 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 0.00 177 W 8.72 3.83 0.00 3.28 3.14 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 0.00 178 D 7.99 4.35 0.00 2.85 2.58 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 0.00 179 V 7.57 3.64 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 0.82 0.00 0.00 0.90 0.00 0.00 180 I 7.18 3.97 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 -0.11 0.84 0.00 0.00 181 H 7.26 4.55 0.00 1.40 2.18 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.25 0.00 2.19 2.06 0.00 3.21 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 183 G 8.05 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 R 8.33 3.95 0.00 0.92 1.46 0.00 3.21 0.00 0.00 2.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 185 E 9.01 3.95 0.00 2.11 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 2.43 2.38 0.00 186 W 8.09 4.29 0.00 3.60 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 0.00 187 A 6.91 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.73 4.32 0.00 2.05 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 2.29 2.29 0.00 189 K 8.14 4.42 0.00 1.96 1.93 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 190 C 7.79 4.72 0.00 3.25 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 T 9.11 4.36 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 1.53 0.00 0.00 192 G 7.53 3.77 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 0.00 0.00 0.00 193 V 8.29 3.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 194 H 8.37 5.00 0.00 3.17 3.43 0.00 5.78 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 0.00 195 S 8.67 4.37 0.00 4.03 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 0.00 196 E 8.53 4.73 0.00 2.34 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 2.46 2.51 0.00 197 P 0.00 4.26 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 198 Y 8.21 3.97 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.28 4.06 0.00 3.50 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 I 7.95 3.83 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.04 0.97 0.00 0.00 201 E 8.64 3.99 0.00 2.01 1.89 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 2.27 2.42 0.00 202 E 7.86 3.84 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 1.65 2.01 0.00 203 R 7.93 3.98 0.00 2.04 2.06 0.00 3.39 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 204 I 7.93 3.86 2.16 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.43 1.39 0.00 0.00 205 K 8.31 4.23 0.00 2.02 1.91 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.59 7.81 206 Q 8.46 4.09 0.00 2.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 207 Y 8.12 4.02 0.00 2.94 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 0.00 208 F 7.66 4.03 0.00 3.16 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 0.00 209 S 7.68 4.19 0.00 4.12 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 0.00 210 K 8.13 4.19 0.00 1.87 1.83 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.27 7.81 * Residues marked with a * may have inaccurate shift predictions.