NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5464 8.3049 120.2813 55.4081 33.5334 174.4825 2 I 4.0135 8.3850 122.3355 59.2859 39.7069 174.9472 3 P 3.9199 0.0000 0.0000 60.3180 28.9405 173.8041 4 V 4.6271 8.0644 123.0040 60.9537 33.3852 174.7764 5 V 4.6082 8.2459 127.5015 61.3484 34.5493 174.2369 6 I 4.7735 7.9740 123.8490 59.7900 40.4294 175.3709 *15 S 4.3785 8.7407 118.5867 58.3166 63.9273 173.3608 16 Y 4.5982 7.7224 122.0058 55.9002 36.7439 174.0384 17 D 4.4948 8.1528 125.1223 53.4823 43.6115 175.9760 18 I 3.3975 7.3316 122.0588 64.3780 37.7818 177.7574 19 Y 4.2317 7.2020 116.8499 61.0583 37.4773 178.3995 20 S 4.3905 7.8780 114.6850 60.8847 63.0652 176.4348 21 R 4.3137 7.1677 121.4265 58.7619 29.8307 178.9192 22 L 4.1090 7.7330 118.2262 57.6712 41.4485 179.4000 23 L 4.3523 7.8025 121.5701 57.2921 41.7858 178.6540 24 K 3.9574 7.7183 118.2533 59.4497 32.1898 176.6430 25 D 4.8152 8.1258 116.0636 54.2564 41.0014 176.4008 26 R 4.0376 8.3212 116.6463 57.3357 27.7261 175.3738 27 I 5.1918 7.7781 118.4581 60.4099 39.5659 175.2516 28 I 5.0405 8.5621 126.4928 60.0739 41.6847 173.3213 *30 L 4.4229 8.4173 124.9766 56.3732 43.2208 177.4664 31 T 4.9636 7.8562 120.9232 63.2390 72.5304 175.0087 32 G 3.9163 8.6518 114.5025 43.7717 0.0000 171.0784 33 P 4.5824 0.0000 0.0000 62.4353 32.0942 177.2407 34 V 4.0043 8.9649 125.0888 61.4567 32.2741 174.9087 35 E 5.0029 8.4626 122.4730 54.0421 32.9297 175.3932 36 D 4.4999 8.8987 118.6366 57.9401 41.1561 179.3263 37 N 4.4099 8.5924 111.7710 54.4967 38.2259 176.4302 *39 A 4.2896 8.0499 123.4417 52.3837 20.5236 179.5975 40 N 4.4013 8.2106 113.1024 56.0908 38.5048 177.7764 41 S 4.0578 7.9555 114.5522 61.2890 62.5475 176.2853 42 V 3.6195 7.7264 120.4714 66.1355 31.3579 177.9183 43 I 3.7553 8.2116 119.7238 64.3080 36.9584 178.3021 44 A 4.0850 8.2915 121.8037 55.3105 18.2202 179.7328 45 Q 4.1507 8.1491 116.4403 58.9774 28.6787 179.0980 46 L 4.0555 7.9165 120.0706 57.8810 41.7867 179.4962 47 L 4.0981 8.1320 118.9547 57.5282 41.5007 179.3791 48 F 4.3021 8.4229 120.6866 61.5142 39.2862 177.3135 49 L 3.6710 8.0828 118.5736 57.4529 41.1269 178.9574 50 D 4.2095 8.2568 117.5684 57.3775 41.2643 177.9949 51 A 4.0890 7.7857 119.9407 55.0283 18.3756 179.3521 52 Q 4.1735 7.6046 116.0905 57.9133 29.1050 176.2877 53 D 4.2702 7.4236 116.6918 53.7499 42.8649 175.5989 54 S 4.5977 8.6875 118.6662 58.9711 62.9737 175.0473 55 T 4.4080 7.6568 110.5907 61.6454 70.0256 174.4136 56 K 4.4789 7.2829 120.6241 55.2256 33.2654 176.6594 57 D 4.6103 8.6105 123.0692 54.5841 41.9172 175.5257 58 I 4.4469 8.1571 120.6559 59.6878 40.7766 174.5747 59 Y 4.8473 8.7714 123.0998 56.5055 40.6109 174.8057 60 L 5.0130 9.0287 129.1258 53.5942 42.8888 174.3534 61 Y 4.7357 9.0291 124.1975 57.5278 38.6653 175.3583 62 V 4.5539 8.9785 124.1616 61.3050 34.4071 174.3114 63 N 5.2294 9.1991 126.4490 52.7318 40.8194 171.9451 64 T 4.8406 8.0213 117.7718 59.2916 70.9510 172.3762 65 P 4.4656 0.0000 0.0000 63.6276 32.8739 175.8412 66 G 3.8949 8.1986 105.5773 44.9071 0.0000 169.4263 67 G 4.0484 7.8859 109.6745 43.7847 0.0000 173.6322 68 S 4.0521 8.9489 118.5929 58.7832 63.0484 175.9994 69 V 3.5543 8.5397 127.1580 66.0586 31.5413 177.7960 70 S 4.0350 8.0627 112.2235 61.5554 62.3847 175.9432 71 A 4.1652 8.0730 123.2744 54.7759 18.0727 179.8892 72 G 3.5488 7.8263 104.2305 47.8615 0.0000 176.0926 73 L 4.1203 8.2576 121.0282 56.8921 41.5709 179.4914 74 A 3.9600 7.8122 121.0321 55.0867 18.1346 179.4427 75 I 3.6489 7.3382 116.7232 64.6994 37.2893 178.4506 76 V 3.7584 7.5345 117.4734 66.2104 31.5885 177.5238 77 D 4.5965 8.3708 118.7557 57.4462 40.6145 179.1598 78 T 4.1842 7.8968 113.1071 64.7416 68.3066 175.5925 *80 N 4.6924 8.0564 120.2591 53.3917 40.5550 175.8318 81 F 4.4254 8.5529 119.8450 60.6213 39.7058 175.6949 82 I 3.6561 7.4653 114.3441 59.8657 38.1302 175.9512 83 K 3.8290 8.5725 124.1337 59.3429 32.1384 177.5950 84 A 4.1115 7.5261 119.8614 52.3222 18.9504 177.4664 85 D 4.3282 8.7060 122.2445 54.3592 42.5419 175.6980 86 V 4.4787 8.2752 123.6529 61.2654 32.5183 174.8277 87 Q 4.8166 8.6645 128.1866 56.1174 30.0785 175.7263 88 T 5.2114 8.5950 111.6497 60.1127 72.6984 173.2559 89 I 5.0141 8.3068 123.0458 59.7908 40.6185 175.4331 90 V 4.5935 8.2407 128.0412 62.0127 32.7413 176.2248 *92 G 3.9891 8.6783 108.2619 45.8687 0.0000 172.6602 *94 A 4.7362 7.7138 122.3056 51.2063 19.9363 175.0779 95 A 4.5076 8.1600 123.3410 50.8671 22.4011 176.2979 96 S 3.8855 8.0223 115.3095 58.8836 62.6832 174.6152 *98 G 3.8248 7.7835 106.8924 45.5549 0.0000 174.8544 99 T 3.3811 7.3075 110.7537 64.1145 68.6431 177.0792 100 V 3.5231 7.4991 120.5676 65.8283 31.2962 177.9225 101 I 3.6816 7.5277 117.4562 64.2761 37.4975 177.7119 102 A 4.2084 7.9925 121.6419 55.4106 18.1194 179.9304 103 S 4.4684 8.0341 111.0822 61.5206 63.1380 176.0602 104 S 4.5238 7.7841 116.5462 58.5334 62.7851 174.1689 105 G 3.9593 7.4372 109.4292 45.5402 0.0000 173.4806 106 A 4.1695 8.5946 122.2193 51.6525 19.2320 177.2665 107 K 3.8468 8.7164 124.4724 58.2844 32.3911 177.2236 108 G 3.9833 9.4473 115.4081 45.6224 0.0000 173.5712 109 K 4.2777 8.1975 119.1098 55.9491 33.7932 175.3360 110 R 4.7742 7.7924 118.3440 54.9179 32.1706 175.3684 111 F 5.6384 8.8965 124.6186 54.7514 42.9639 174.1807 *113 L 4.3521 8.2850 117.2589 54.8379 42.6771 176.8348 114 P 4.2449 0.0000 0.0000 65.4354 31.4452 177.3409 115 N 4.6626 8.0085 111.9728 53.0443 39.0568 174.7946 116 A 4.5723 7.4953 120.6525 52.1013 19.3609 176.3441 117 E 4.9950 8.6490 117.4880 55.1354 33.8435 174.0315 118 Y 5.6122 8.6856 120.5104 55.8418 42.8329 175.1150 *120 I 3.8610 8.3430 112.0472 59.9115 39.1209 175.2845 121 H 4.1079 7.6610 121.6937 56.1232 29.9856 173.8059 122 Q 4.4543 7.9898 126.2416 53.2956 28.6379 172.7160 123 P 4.2103 0.0000 0.0000 61.8205 32.5021 176.6989 *139 A 4.1340 8.3311 123.4211 51.3494 20.9098 175.7734 140 P 4.2300 0.0000 0.0000 65.7387 31.3648 178.3332 141 E 3.9025 8.2996 118.6627 59.6088 29.2906 178.3180 142 H 4.2588 8.1380 117.4811 58.9610 30.0288 176.9610 143 L 3.9218 7.7150 120.8368 57.7212 41.5088 179.2314 144 L 3.8947 8.0037 120.1803 57.8973 41.9307 178.8914 145 K 3.8603 7.6812 118.9305 59.9229 32.1289 178.7932 146 T 3.7679 7.8630 115.9733 66.7517 68.3757 176.6072 147 R 3.8465 8.2020 120.5843 59.2002 30.0146 178.4592 148 N 4.3520 8.0099 116.4718 56.5854 38.7423 177.4136 149 T 3.9318 8.0803 117.2883 66.7412 68.5608 176.6700 150 L 4.0247 8.1186 120.9225 57.5856 41.5750 179.5015 151 E 3.9389 8.3854 118.5605 59.6103 29.5109 179.2412 152 K 4.0881 8.3852 120.2487 59.7871 32.3591 178.3169 153 I 3.8071 7.6423 119.5744 64.3284 36.8398 178.4447 154 L 4.2131 7.7379 118.2544 57.5442 41.7634 179.3206 155 A 4.2142 8.3292 120.9303 55.3492 18.2205 179.3005 156 E 3.9553 8.1192 115.7406 59.9808 29.6471 179.3110 157 N 4.6343 8.4186 115.2384 54.9662 38.7613 176.5012 158 S 4.8289 7.1329 113.9301 56.1223 63.8589 174.7294 159 G 3.8138 7.9020 109.3307 46.3881 0.0000 173.7094 160 Q 4.3244 7.3396 118.6339 54.4018 31.0583 176.9799 161 S 4.4941 7.9241 119.3714 58.5660 62.2611 175.6925 *163 E 4.3173 8.7673 113.4209 56.1619 31.5390 177.8614 164 K 3.9795 8.0120 118.8936 59.4246 32.1228 179.1421 165 V 3.8511 7.7322 119.3900 65.7424 31.2556 177.2288 166 H 4.2932 8.4006 117.3152 59.5842 29.4444 176.8282 167 A 4.0898 7.8076 120.5768 55.2634 18.1648 178.9414 168 D 4.5261 8.4796 117.1778 57.0224 40.5899 178.8288 169 A 4.0037 8.3896 121.9384 54.7003 18.2042 179.3541 170 E 4.0363 7.8055 115.0777 58.2685 30.0161 177.9870 171 R 4.1223 6.8275 118.3933 56.2958 31.1306 176.3836 172 D 4.7087 8.2697 120.0698 53.4734 40.7838 176.3496 173 N 4.9059 7.5756 115.6560 51.0957 39.6811 175.5414 174 W 4.8728 8.6995 120.9647 54.9675 31.6885 175.5956 *176 S 4.3418 8.2055 113.2469 58.7691 64.8047 174.1888 177 A 3.9919 8.3152 122.6293 55.1931 18.0577 179.8066 178 Q 3.9566 8.0368 116.1665 59.2909 28.9173 178.6928 179 E 4.0571 8.3197 119.5078 59.8430 29.3976 179.6550 180 T 3.9428 8.2440 115.9773 66.2542 68.1575 176.6685 181 L 3.9096 7.7622 121.7393 58.2693 42.2765 178.7100 182 E 4.0705 8.0817 117.1261 59.2038 29.1329 178.2616 183 Y 3.9119 7.9974 119.9444 58.7136 38.5418 176.6511 184 G 4.0572 7.7949 106.5571 45.1313 0.0000 175.1493 185 F 4.6076 7.6592 118.2582 59.2033 39.2130 174.6008 186 I 4.7338 7.3511 111.8828 59.3224 40.6746 174.1185 187 D 4.7508 8.7981 118.9854 54.9292 43.0736 176.7157 188 E 4.7529 7.4182 117.4699 54.8779 33.1249 174.5177 189 I 4.3573 8.0283 127.7194 60.7634 38.5073 174.9512 *191 A 4.0973 8.2261 125.6049 53.2517 19.1365 176.8581 192 N 4.6693 8.1465 119.3524 52.4669 37.5123 175.0026 193 N 4.7566 8.2673 115.8952 53.6085 38.7650 176.3470 194 S 4.3675 7.8111 116.0295 60.3044 63.4984 174.3786 195 L 4.2160 7.4624 123.5873 54.8751 41.4004 176.4166 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 1 M 8.30 4.55 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 2 I 8.38 4.01 1.79 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.90 0.00 0.00 3 P 0.00 3.92 0.00 1.94 2.01 0.00 3.44 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.04 0.00 4 V 8.06 4.63 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 0.82 0.00 0.00 0.99 0.00 0.00 5 V 8.25 4.61 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 0.97 0.00 0.00 1.01 0.00 0.00 6 I 7.97 4.77 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.92 0.00 0.00 *15 S 8.74 4.38 0.00 3.89 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.72 4.60 0.00 3.02 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.15 4.49 0.00 2.81 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.33 3.40 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.02 0.00 0.00 19 Y 7.20 4.23 0.00 3.04 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 20 S 7.88 4.39 0.00 3.74 4.14 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 21 R 7.17 4.31 0.00 1.88 1.90 0.00 3.04 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.20 0.00 22 L 7.73 4.11 0.00 1.92 1.75 0.85 0.40 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 23 L 7.80 4.35 0.00 1.98 1.97 1.18 1.27 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 24 K 7.72 3.96 0.00 2.04 1.94 0.00 1.94 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.56 7.81 25 D 8.13 4.82 0.00 2.88 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 26 R 8.32 4.04 0.00 2.22 2.09 0.00 3.12 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 27 I 7.78 5.19 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 1.13 0.00 0.00 28 I 8.56 5.04 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.13 1.01 0.00 0.00 *30 L 8.42 4.42 0.00 1.80 1.74 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.86 4.96 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 1.17 0.00 0.00 32 G 8.65 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 33 P 0.00 4.58 0.00 1.94 2.00 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 34 V 8.96 4.00 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 0.85 0.00 0.00 0.95 0.00 0.00 35 E 8.46 5.00 0.00 1.90 1.93 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 2.15 2.53 0.00 36 D 8.90 4.50 0.00 2.75 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 37 N 8.59 4.41 0.00 2.91 2.82 0.00 0.00 6.89 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 8.05 4.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.21 4.40 0.00 2.83 2.88 0.00 0.00 6.70 7.19 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 41 S 7.96 4.06 0.00 3.91 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.73 3.62 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 1.05 0.00 0.00 0.94 0.00 0.00 43 I 8.21 3.76 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.95 0.00 0.00 44 A 8.29 4.08 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.15 4.15 0.00 2.40 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 46 L 7.92 4.06 0.00 1.96 1.75 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.13 4.10 0.00 1.80 1.81 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.42 4.30 0.00 3.19 3.34 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 49 L 8.08 3.67 0.00 1.73 1.64 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.26 4.21 0.00 2.68 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 51 A 7.79 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.60 4.17 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.90 0.00 0.00 0.00 0.00 0.00 1.73 1.43 0.00 53 D 7.42 4.27 0.00 2.50 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.69 4.60 0.00 3.93 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.66 4.41 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 1.18 0.00 0.00 56 K 7.28 4.48 0.00 1.68 1.77 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.55 7.81 57 D 8.61 4.61 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.16 4.45 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.97 0.00 0.00 59 Y 8.77 4.85 0.00 3.04 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 60 L 9.03 5.01 0.00 1.78 1.74 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 9.03 4.74 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.98 4.55 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 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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 81 F 8.55 4.43 0.00 2.99 3.34 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 82 I 7.47 3.66 1.97 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 1.27 0.81 0.97 0.00 0.00 83 K 8.57 3.83 0.00 1.65 1.84 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.32 7.81 84 A 7.53 4.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.71 4.33 0.00 2.75 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 86 V 8.28 4.48 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 1.00 0.00 0.00 0.91 0.00 0.00 87 Q 8.66 4.82 0.00 2.25 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 88 T 8.60 5.21 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 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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 0.00 159 G 7.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 7.34 4.32 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.25 1.78 0.00 161 S 7.92 4.49 0.00 3.84 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 *163 E 8.77 4.32 0.00 2.14 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 2.29 2.36 0.00 164 K 8.01 3.98 0.00 1.83 1.94 0.00 1.56 0.00 0.00 1.38 0.00 0.00 2.82 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.61 1.41 7.81 165 V 7.73 3.85 2.20 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 1.27 0.00 0.00 1.24 0.00 0.00 166 H 8.40 4.29 0.00 3.26 3.44 0.00 5.73 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 0.00 167 A 7.81 4.09 1.46 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 0.00 0.00 0.00 168 D 8.48 4.53 0.00 3.06 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 0.00 169 A 8.39 4.00 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 0.00 170 E 7.81 4.04 0.00 2.15 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 2.47 2.37 0.00 171 R 6.83 4.12 0.00 1.88 1.88 0.00 3.29 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 172 D 8.27 4.71 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 N 7.58 4.91 0.00 2.84 2.81 0.00 0.00 6.32 8.88 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 0.00 174 W 8.70 4.87 0.00 3.30 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 *176 S 8.21 4.34 0.00 4.12 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 0.00 177 A 8.32 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Q 8.04 3.96 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 179 E 8.32 4.06 0.00 2.31 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 0.00 2.39 2.40 0.00 180 T 8.24 3.94 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 0.38 0.00 0.00 181 L 7.76 3.91 0.00 1.73 1.90 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 182 E 8.08 4.07 0.00 2.14 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 2.33 2.30 0.00 183 Y 8.00 3.91 0.00 3.25 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 0.00 184 G 7.79 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 F 7.66 4.61 0.00 2.76 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.35 4.73 1.95 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 1.31 0.60 0.86 0.00 0.00 187 D 8.80 4.75 0.00 2.36 2.56 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 0.00 188 E 7.42 4.75 0.00 1.98 1.84 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 2.44 2.41 0.00 189 I 8.03 4.36 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.95 0.00 0.00 *191 A 8.23 4.10 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 0.00 192 N 8.15 4.67 0.00 2.74 2.73 0.00 0.00 7.02 6.71 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 0.00 193 N 8.27 4.76 0.00 2.75 2.83 0.00 0.00 7.22 7.57 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 0.00 194 S 7.81 4.37 0.00 4.04 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 0.00 195 L 7.46 4.22 0.00 1.66 1.57 0.93 0.80 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 * Residues marked with a * may have inaccurate shift predictions.