NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8254 8.3649 119.5731 52.4297 42.2044 175.2796 6 K 4.1891 7.8806 118.5516 55.4912 32.9483 174.9107 7 L 3.9747 8.7998 126.9159 54.8185 43.3383 176.7090 8 A 4.3414 8.4280 129.2126 51.0343 19.2192 175.0972 9 P 4.7549 0.0000 0.0000 63.3138 32.3114 175.3584 10 F 5.0610 8.3260 114.8728 56.0468 41.7310 172.4995 11 E 5.2594 8.8623 119.9831 54.9084 32.4392 174.7650 12 V 4.8201 9.3355 119.3170 59.6629 36.5370 174.1421 13 F 5.1006 8.9947 124.8303 57.3594 40.9933 174.3925 14 D 4.9198 8.3144 125.8997 52.6338 42.5120 176.3781 15 H 4.3608 8.9029 122.3508 57.8662 29.3957 177.1775 16 V 3.2750 7.5499 119.5494 65.7076 31.2348 177.0227 17 V 3.8984 7.8462 109.6022 60.5950 32.3933 175.1435 18 N 3.9994 7.5854 117.6994 54.4596 37.5910 173.0985 19 K 4.8571 6.6512 116.1774 54.5417 37.8773 176.8560 20 K 4.8445 9.3124 124.3712 55.8433 33.6826 175.2721 21 L 5.3341 9.3413 128.2761 53.0779 44.1536 175.7113 22 S 5.1022 8.8068 117.7803 56.5851 66.9227 172.8522 23 F 5.1689 8.9737 121.6214 55.5651 41.7389 174.3977 24 R 4.9596 8.6566 119.2017 54.1786 32.8032 174.8314 25 H 4.6996 8.6918 117.2972 55.8546 29.2586 175.8361 26 V 4.1947 8.7736 123.7559 63.1701 32.6080 175.1530 27 T 4.6168 9.3268 115.1776 62.1775 67.6823 176.9838 *29 D 4.5312 9.1659 120.9740 53.9186 42.6003 175.2782 30 D 4.6265 7.9692 117.7471 54.1012 41.3858 177.7834 31 V 3.8294 7.6851 120.6995 65.0183 31.6996 178.5716 32 D 4.5728 7.8954 116.6647 54.7790 39.9937 177.8286 *34 L 3.4584 8.0049 121.5540 54.8219 43.5315 178.5945 35 H 3.3199 8.0018 117.2499 58.9787 29.9479 176.2552 36 S 4.1442 7.7518 112.8027 61.1859 62.4346 177.2743 37 W 4.4185 7.3569 119.6718 56.9347 27.6933 177.1988 *39 H 4.5108 8.2013 113.6897 55.0431 30.2378 173.7528 40 E 4.1796 7.9007 120.7680 55.8858 29.8870 177.9913 41 E 3.9764 8.7565 122.5455 59.6268 29.6977 178.0924 42 H 4.4755 8.1210 112.3068 57.0348 29.4681 176.0464 43 V 4.1731 7.6020 120.2230 64.7203 32.5686 177.4968 44 I 3.6796 7.9273 120.2733 64.1135 36.9471 176.3589 45 P 4.0521 0.0000 0.0000 64.8645 31.2114 176.8341 46 Y 4.6167 7.6073 114.3854 58.1757 38.9105 176.4406 47 W 4.4153 8.3097 117.7810 55.9020 30.9319 175.9774 48 K 3.9150 8.2304 115.9735 57.9576 29.4204 175.4156 49 L 4.8021 7.9410 114.3855 54.5972 42.8022 178.0304 50 N 4.1639 7.9378 117.4840 51.2243 35.7619 173.4520 51 I 4.6633 7.1114 117.1241 58.2155 41.3998 175.0177 52 P 4.3774 0.0000 0.0000 62.6488 32.9102 177.1311 53 L 3.7244 8.5614 122.8059 58.4497 41.6527 179.8320 54 V 3.6104 7.7515 118.3184 65.0540 31.1146 178.0443 55 D 4.3290 8.0018 119.0119 57.1123 40.8474 177.7634 56 Y 3.9749 8.3330 120.3856 60.5799 38.6400 178.2512 57 K 3.7870 8.4020 119.6815 59.6075 32.3495 179.4099 58 K 3.9110 7.6739 118.4004 59.5202 31.9343 179.0028 59 H 3.9731 8.2694 118.7119 59.0862 29.7243 177.0233 60 L 3.5959 7.6147 122.5033 58.0359 41.7888 178.5520 61 Q 3.9322 8.1316 119.6072 59.5949 28.7143 178.6227 62 T 3.9216 7.5179 115.0380 66.8240 68.9278 176.4636 63 F 4.4044 8.4217 119.6963 60.5429 38.6707 177.7823 64 L 4.1780 8.2950 118.1055 57.0704 41.4646 178.1439 65 N 4.8139 7.6197 113.8274 52.0246 39.2446 174.1231 66 D 4.6486 7.5095 122.2615 53.4336 41.8467 176.6483 67 D 4.6182 8.7033 126.1440 56.0236 41.5741 176.6130 68 H 4.9772 8.9682 115.0953 55.7487 29.0221 174.3199 69 Q 5.0108 7.5414 116.5456 55.1985 32.1260 174.2496 70 T 4.6081 8.9221 116.6885 61.9118 71.7010 173.8958 71 L 5.4918 8.3769 125.4582 52.6411 44.9825 175.4419 *73 V 4.4976 8.0881 119.2066 63.0682 32.8585 174.0403 74 G 3.8242 9.3116 114.5058 43.3519 0.0000 172.5287 75 A 4.9533 8.5554 124.8688 49.7970 23.2957 174.8912 76 I 4.7076 7.9951 120.4009 59.7261 40.1120 175.9755 77 N 4.2190 10.1625 126.6587 54.3235 36.5815 175.8419 78 G 3.9320 8.4273 105.9793 45.4353 0.0000 174.2867 79 V 3.9205 7.6121 121.0358 61.0805 31.8316 173.7712 80 P 4.6814 0.0000 0.0000 62.5987 31.8762 175.6568 *82 S 4.0565 8.2099 113.5398 58.4179 64.9066 171.6731 83 Y 5.2088 8.4214 122.0952 55.8580 42.3641 174.2487 84 W 5.5563 8.0451 123.8325 55.0284 34.1187 173.6275 85 E 5.0005 9.4874 123.7117 54.8004 31.9378 174.7393 86 S 5.1330 9.1021 121.1393 56.8542 64.2461 172.5538 87 Y 5.1581 7.9365 124.0567 55.1221 41.8821 173.8548 88 W 4.7866 8.7728 120.6717 55.9697 30.1126 177.9117 89 V 3.7889 9.0198 125.4474 65.9218 31.2952 177.8512 90 K 3.2113 8.2179 119.3230 58.8745 31.9344 176.7021 91 E 4.4571 7.8774 115.2208 55.7531 29.9143 174.8215 92 D 4.8800 7.9890 119.4233 51.8336 44.0733 176.7709 93 I 3.7323 8.2184 122.7366 64.3447 37.8184 177.8419 94 I 4.0017 8.3700 118.8035 63.3830 37.5569 177.4206 95 A 3.7485 7.6978 120.8856 55.1939 18.0851 178.7358 96 N 4.4612 8.1201 112.9017 55.1400 38.7937 175.3032 97 Y 4.5896 8.3139 117.6027 58.0114 39.2647 174.5844 98 Y 4.9943 7.5077 116.2295 55.2844 40.7793 173.6041 99 P 4.4065 0.0000 0.0000 61.4463 29.6828 175.9689 100 F 4.2056 7.2544 119.0300 57.5383 39.0673 175.5350 101 E 4.4560 9.1020 121.6984 54.5899 31.1184 176.8729 102 E 3.9509 8.7907 122.6700 59.6459 29.5230 177.8002 103 H 5.0378 8.0464 111.7631 55.5284 29.4339 174.2923 104 D 4.8880 8.4551 120.7527 54.9358 41.9605 175.5184 105 Q 4.8892 8.7658 119.7680 54.0494 33.2116 174.3298 106 G 4.1046 7.9856 107.0133 45.1799 0.0000 171.3476 107 I 5.1826 7.7736 118.8316 59.5555 41.0885 173.7233 108 H 5.4626 9.5559 126.2387 54.3230 32.0593 172.8287 109 L 4.9424 8.7090 120.1654 55.1042 43.1840 174.1407 110 L 4.4660 8.0319 118.5788 54.7872 44.1036 173.9603 111 I 3.7648 8.0285 121.8829 60.0565 37.8945 175.3913 112 G 2.5858 7.7707 118.0533 46.5970 0.0000 171.5956 113 P 4.3420 0.0000 0.0000 61.3028 32.5191 177.8386 114 Q 3.9275 8.9063 122.1952 59.0069 28.7642 178.4105 115 E 3.9997 8.1402 113.4743 58.0246 29.6364 176.6914 116 Y 4.3700 7.7551 116.3379 57.7180 37.1812 175.5541 117 L 4.3235 7.8794 121.3141 54.7652 42.9827 177.3525 118 G 3.8199 8.7437 107.5081 46.5266 0.0000 174.1180 119 Q 4.4684 7.4749 113.9845 54.8924 29.2197 176.4776 120 G 4.1810 8.3820 105.5216 46.1895 0.0000 175.9418 121 L 4.1999 7.7650 120.8925 56.9573 42.1881 179.0446 122 I 3.7446 7.8352 118.4795 64.1159 37.7256 177.1839 123 Y 3.8525 7.4865 117.0158 60.4742 37.7520 176.7798 124 P 3.8689 0.0000 0.0000 65.6029 31.3016 178.4109 125 L 4.1442 7.6525 117.5634 57.6768 41.4545 179.1328 126 L 4.1439 8.1946 119.1607 58.2749 42.1373 178.6118 127 L 4.5154 8.0521 117.8968 57.7542 41.8564 179.1190 128 A 4.2888 8.1329 120.6825 55.0325 18.4769 180.9177 129 I 3.1203 7.2195 116.8338 60.9891 38.2017 177.6712 *131 Q 4.1210 8.0886 120.3298 55.7342 30.2990 177.0006 132 Q 3.8229 7.3244 116.4632 58.3685 28.4621 178.7489 133 K 3.7769 7.7100 119.8862 59.1564 31.8474 178.8984 134 F 4.5231 7.1428 114.4581 59.1451 38.8893 176.8454 135 Q 4.2685 7.4227 116.0750 55.9576 29.0571 175.5849 136 E 4.0082 7.6300 122.2617 55.6464 29.9098 175.5526 137 P 4.2723 0.0000 0.0000 65.5805 31.5040 177.0366 138 D 4.5767 7.8812 114.6222 54.7287 41.2820 176.3089 139 T 4.4550 7.7915 117.3707 63.4885 68.5887 174.0263 140 N 5.0642 8.9089 123.1531 53.5810 41.3628 174.7035 141 T 5.2473 7.9175 115.2041 61.8684 73.3165 172.6779 142 I 4.7815 8.8531 126.5166 59.5166 40.3414 175.1660 143 V 4.8639 8.8264 119.1618 59.7174 34.8498 174.5283 144 A 4.7048 8.0922 122.5836 49.7277 22.5060 175.7024 145 E 5.3706 8.1755 115.3652 52.6583 29.6430 174.0296 146 P 4.2379 0.0000 0.0000 63.0638 32.5602 175.9400 147 D 4.6976 8.6220 119.2042 54.8336 41.3684 177.9230 148 R 3.9468 8.8151 122.9894 58.7569 29.4761 177.8329 149 R 4.2139 8.4490 116.7886 57.4955 30.6844 176.8885 150 N 4.6265 7.8312 118.6685 51.7313 37.3252 174.2606 151 K 4.0605 8.0766 122.2263 59.0995 32.9948 179.6586 152 K 4.0943 8.0061 115.2241 57.7344 31.9434 177.8181 *154 I 4.2146 7.8252 119.7109 61.4945 39.1831 177.3326 155 H 4.1375 8.5681 119.5723 59.2526 29.6537 177.3200 156 V 3.7086 7.7296 121.2492 65.4677 31.2858 177.8232 157 F 4.3735 7.8532 116.8112 60.7320 38.7854 177.5445 158 K 4.7280 8.3919 119.4612 59.1562 31.6728 179.5776 159 K 4.0105 8.2570 117.4630 59.0593 31.9966 178.1608 160 C 4.9410 7.9653 114.8587 59.6654 28.4577 174.2313 161 G 4.1922 8.2268 108.9420 45.1079 0.0000 174.5783 162 F 4.4428 8.8543 120.1857 57.6931 40.0403 174.2151 163 Q 5.0945 8.9110 123.3564 53.2838 30.3809 173.9785 164 P 4.3922 0.0000 0.0000 63.4172 31.7948 175.1891 165 V 4.2942 8.6444 122.2580 62.6094 32.6086 175.4382 166 K 4.3757 7.2678 116.5050 56.0232 35.1578 173.2856 167 E 4.6249 8.9458 120.5505 56.6301 30.5397 176.9320 168 V 4.3382 8.6730 115.6964 59.7516 35.0712 175.2029 169 E 4.5163 9.1421 125.9575 55.7221 28.5139 176.4737 170 L 4.6372 8.4722 124.3545 51.5727 43.5789 176.4478 171 P 4.3757 0.0000 0.0000 65.1990 31.2466 177.3327 172 D 4.6964 7.6263 114.7533 52.8369 40.5334 175.4516 173 K 4.1331 7.2942 116.8988 56.6113 35.5625 173.6669 174 I 4.5902 7.9026 120.3019 60.1041 38.2944 176.0038 175 G 4.1276 8.8622 115.4547 44.9443 0.0000 171.5977 176 L 4.8881 8.5770 122.8147 52.8384 43.6467 175.7687 177 L 4.7335 8.5236 129.2643 54.2693 43.9122 175.6061 *179 K 4.4380 8.3457 119.9731 56.3086 33.9858 174.4863 180 C 4.7392 8.8022 124.8318 57.4621 33.7707 172.8932 181 E 4.7864 8.6160 126.0966 55.5112 30.4993 177.4575 182 Q 2.8281 8.7386 123.6293 59.1131 28.7990 178.7774 183 N 4.2224 7.9506 117.0127 56.1169 38.5787 177.4333 184 V 3.5678 7.6149 119.1655 65.8574 31.7493 177.5168 185 F 4.0860 8.1459 120.4176 61.4634 39.1192 176.6367 186 E 3.7114 8.3253 118.9714 58.9915 29.2811 178.6718 187 K 3.9354 7.7767 119.7967 59.7012 32.2495 179.0977 188 R 4.0616 7.9760 118.3731 58.8763 29.9816 178.8674 189 W 4.0127 8.5344 128.6167 60.5480 30.4460 178.3068 190 S 4.0889 8.4054 114.3037 61.5460 62.5949 175.8536 191 D 4.5764 8.5430 122.0850 57.2323 40.4164 178.6383 192 W 4.0608 8.2664 127.2248 60.3076 30.9331 180.1223 193 K 3.9340 7.4862 117.5811 55.9172 31.5838 177.1102 *195 N 4.4243 8.1095 113.0139 53.1249 39.9605 174.9253 196 K 4.6368 8.4044 115.2802 56.4356 33.3822 175.8152 197 F 4.4877 8.4432 126.9607 59.6018 39.3290 174.5347 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 5 D 8.36 4.83 0.00 2.71 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 6 K 7.88 4.19 0.00 1.87 1.75 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.45 7.81 7 L 8.80 3.97 0.00 1.45 1.56 0.76 1.21 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 A 8.43 4.34 1.29 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 0.00 0.00 9 P 0.00 4.75 0.00 2.05 1.97 0.00 3.78 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 10 F 8.33 5.06 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.86 5.26 0.00 1.98 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 2.29 2.57 0.00 12 V 9.34 4.82 2.30 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 0.86 0.00 0.00 1.18 0.00 0.00 13 F 8.99 5.10 0.00 3.03 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 14 D 8.31 4.92 0.00 2.71 2.41 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 15 H 8.90 4.36 0.00 3.42 3.64 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.55 3.27 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 -0.24 0.00 0.00 -0.05 0.00 0.00 17 V 7.85 3.90 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.02 0.00 0.00 18 N 7.59 4.00 0.00 2.84 2.84 0.00 0.00 6.89 6.70 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 19 K 6.65 4.86 0.00 1.60 1.62 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.39 7.81 20 K 9.31 4.84 0.00 2.03 1.97 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.67 7.81 21 L 9.34 5.33 0.00 1.77 1.72 1.08 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.81 5.10 0.00 3.78 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 23 F 8.97 5.17 0.00 1.51 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 24 R 8.66 4.96 0.00 1.76 1.82 0.00 3.08 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 25 H 8.69 4.70 0.00 3.05 3.32 0.00 5.72 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 26 V 8.77 4.19 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 0.92 0.00 0.00 1.19 0.00 0.00 27 T 9.33 4.62 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 1.24 0.00 0.00 *29 D 9.17 4.53 0.00 2.70 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 30 D 7.97 4.63 0.00 2.75 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 31 V 7.69 3.83 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 0.79 0.00 0.00 1.04 0.00 0.00 32 D 7.90 4.57 0.00 2.65 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 *34 L 8.00 3.46 0.00 1.62 1.44 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.00 3.32 0.00 2.98 3.39 0.00 5.76 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 36 S 7.75 4.14 0.00 3.81 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 37 W 7.36 4.42 0.00 3.36 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 *39 H 8.20 4.51 0.00 3.17 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.90 4.18 0.00 1.90 1.68 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 2.58 2.56 0.00 41 E 8.76 3.98 0.00 1.96 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 2.31 2.24 0.00 42 H 8.12 4.48 0.00 3.31 3.43 0.00 5.51 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 43 V 7.60 4.17 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 0.82 0.00 0.00 0.69 0.00 0.00 44 I 7.93 3.68 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.87 0.00 0.00 45 P 0.00 4.05 0.00 0.91 1.72 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 46 Y 7.61 4.62 0.00 3.16 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 47 W 8.31 4.42 0.00 3.35 3.28 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 48 K 8.23 3.92 0.00 1.89 1.87 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.38 7.81 49 L 7.94 4.80 0.00 1.65 1.70 1.11 0.99 0.00 0.00 0.00 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0.00 1.86 1.85 1.32 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.05 4.52 0.00 1.55 1.97 -0.21 1.40 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 0.00 128 A 8.13 4.29 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 0.00 129 I 7.22 3.12 0.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.92 0.53 0.00 0.00 *131 Q 8.09 4.12 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.69 0.00 0.00 0.00 0.00 0.00 1.68 2.09 0.00 132 Q 7.32 3.82 0.00 1.41 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 133 K 7.71 3.78 0.00 1.30 1.48 0.00 1.44 0.00 0.00 1.44 0.00 0.00 2.65 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.19 1.25 7.81 134 F 7.14 4.52 0.00 2.96 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.42 4.27 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 136 E 7.63 4.01 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 137 P 0.00 4.27 0.00 2.07 2.10 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 138 D 7.88 4.58 0.00 2.30 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 0.00 139 T 7.79 4.45 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 1.21 0.00 0.00 140 N 8.91 5.06 0.00 2.70 2.86 0.00 0.00 6.84 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 0.00 141 T 7.92 5.25 4.53 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 1.27 0.00 0.00 142 I 8.85 4.78 1.38 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.33 0.70 0.00 0.00 143 V 8.83 4.86 1.95 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 0.56 0.00 0.00 0.94 0.00 0.00 144 A 8.09 4.70 -0.03 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 0.00 145 E 8.18 5.37 0.00 1.89 1.81 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 2.10 2.27 0.00 146 P 0.00 4.24 0.00 2.21 2.36 0.00 3.79 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 147 D 8.62 4.70 0.00 2.82 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 0.00 148 R 8.82 3.95 0.00 1.93 2.10 0.00 3.19 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 149 R 8.45 4.21 0.00 2.09 2.12 0.00 3.20 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 150 N 7.83 4.63 0.00 1.99 2.54 0.00 0.00 7.17 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 0.00 151 K 8.08 4.06 0.00 1.84 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.40 7.81 152 K 8.01 4.09 0.00 1.86 1.72 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.04 7.81 *154 I 7.83 4.21 2.04 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 1.34 0.61 0.96 0.00 0.00 155 H 8.57 4.14 0.00 3.33 3.60 0.00 5.79 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 0.00 156 V 7.73 3.71 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.67 0.00 0.00 157 F 7.85 4.37 0.00 3.12 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 0.00 158 K 8.39 4.73 0.00 2.02 1.93 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.61 7.81 159 K 8.26 4.01 0.00 2.22 1.95 0.00 1.45 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.60 7.81 160 C 7.97 4.94 0.00 3.62 3.48 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 0.00 161 G 8.23 4.19 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 0.00 0.00 0.00 162 F 8.85 4.44 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.91 5.09 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 164 P 0.00 4.39 0.00 2.09 2.08 0.00 3.78 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 2.02 2.00 0.00 165 V 8.64 4.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.88 0.00 0.00 166 K 7.27 4.38 0.00 1.84 1.87 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.40 7.81 167 E 8.95 4.62 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 2.32 2.35 0.00 168 V 8.67 4.34 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 0.73 0.00 0.00 0.73 0.00 0.00 169 E 9.14 4.52 0.00 2.00 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 2.35 2.35 0.00 170 L 8.47 4.64 0.00 1.79 1.61 0.74 0.40 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 0.00 171 P 0.00 4.38 0.00 2.05 2.14 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 172 D 7.63 4.70 0.00 2.73 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 0.00 173 K 7.29 4.13 0.00 2.05 1.89 0.00 1.24 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.15 1.23 7.81 174 I 7.90 4.59 1.87 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 1.42 0.67 0.99 0.00 0.00 175 G 8.86 4.13 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 0.00 0.00 0.00 176 L 8.58 4.89 0.00 1.71 1.52 0.95 0.55 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 0.00 177 L 8.52 4.73 0.00 1.73 1.65 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *179 K 8.35 4.44 0.00 1.73 1.69 0.00 1.50 0.00 0.00 1.28 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.29 7.81 180 C 8.80 4.74 0.00 1.23 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 0.00 0.00 0.00 181 E 8.62 4.79 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 182 Q 8.74 2.83 0.00 1.54 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 1.88 1.16 0.00 183 N 7.95 4.22 0.00 2.73 2.81 0.00 0.00 6.78 7.68 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 0.00 184 V 7.61 3.57 2.21 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 1.08 0.00 0.00 0.93 0.00 0.00 185 F 8.15 4.09 0.00 3.24 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 0.00 186 E 8.33 3.71 0.00 2.01 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 2.27 2.40 0.00 187 K 7.78 3.94 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 188 R 7.98 4.06 0.00 2.06 2.21 0.00 3.50 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 189 W 8.53 4.01 0.00 2.47 3.01 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 0.00 0.00 0.00 190 S 8.41 4.09 0.00 4.12 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 0.00 191 D 8.54 4.58 0.00 3.10 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 0.00 192 W 8.27 4.06 0.00 2.94 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 0.00 193 K 7.49 3.93 0.00 1.38 1.55 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.63 0.24 7.81 *195 N 8.11 4.42 0.00 2.62 2.75 0.00 0.00 6.92 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 0.00 196 K 8.40 4.64 0.00 1.74 1.80 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.48 7.81 197 F 8.44 4.49 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 * Residues marked with a * may have inaccurate shift predictions.