NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2909 8.4449 121.4702 56.0007 30.6855 174.7097 3 K 4.4428 8.2139 124.2439 53.2490 36.2520 173.6875 4 K 4.4940 8.4334 118.4435 56.2367 35.2543 175.2883 5 I 4.4322 7.6272 119.0646 59.9957 41.2290 173.0397 6 C 4.1986 8.2624 129.5577 58.0829 33.2556 171.7170 7 Y 4.6224 7.9857 123.9269 56.1573 38.9521 175.3356 8 F 4.5410 8.2888 124.3520 57.0228 39.7222 176.4978 9 E 3.9995 9.3577 124.7508 58.9957 29.6770 176.6646 10 E 4.8296 7.7967 114.9537 53.8102 33.6482 173.0547 11 P 4.5681 0.0000 0.0000 62.3975 32.4823 174.8540 12 G 4.3609 8.4716 104.7309 42.5793 0.0000 174.7747 13 K 3.9881 8.7707 121.3044 59.1443 32.3506 178.3885 14 E 3.9527 8.2829 115.9773 59.4980 29.5115 178.6227 15 N 4.0818 7.8196 116.4295 55.0834 38.1834 177.3134 16 T 3.9179 7.4427 119.3341 66.3406 68.5483 175.2754 17 E 3.9116 8.2065 120.2689 59.4985 29.5464 178.8002 18 R 3.9572 7.9106 117.9996 59.6231 30.2818 178.7802 19 V 3.8695 7.9419 112.2718 64.3751 31.3918 178.5950 20 L 4.0262 8.4575 119.3312 57.6070 41.4939 179.4854 21 E 3.9796 8.1626 118.7264 59.4141 29.5129 179.2276 22 L 4.0457 8.3689 119.4497 57.9136 41.6687 180.0632 23 V 3.8279 8.1916 112.6025 64.2074 31.4881 178.4442 24 G 3.7535 7.8537 105.6025 48.0170 0.0000 174.9266 25 E 3.9441 8.0694 121.9152 58.9804 29.7198 179.1124 26 R 3.8674 8.1766 118.1732 59.0865 30.0667 178.3954 27 A 4.0047 8.6423 121.1653 55.1953 18.2632 179.1183 28 D 4.3105 7.9458 115.9145 57.8162 41.0412 178.5982 29 Q 4.1546 8.0161 117.1193 58.9303 28.9252 178.7675 30 L 4.4358 7.9766 116.4128 53.4317 43.3629 176.0627 31 G 3.7084 8.4501 106.6876 46.5467 0.0000 173.8585 32 I 4.4020 7.4507 117.5602 59.4835 39.8060 176.2947 33 R 4.7979 8.3486 118.6992 55.6627 31.6136 173.7521 34 N 5.3762 7.7122 117.6767 51.8289 41.4207 173.3819 35 F 5.3994 9.4525 122.8740 55.5077 43.0979 174.1815 36 V 4.9123 8.4587 123.0354 59.9045 33.8886 174.9106 37 V 4.9273 9.0733 124.3847 60.8513 35.0950 173.9938 38 A 4.6695 8.5569 130.1621 51.6666 19.0142 177.2961 39 S 4.2087 9.0372 118.1869 57.2316 64.5432 175.0372 40 V 3.5272 8.5326 127.1596 65.8694 31.5932 177.5549 41 S 4.2534 7.9102 112.6461 59.9370 63.5440 174.8656 42 G 4.2169 8.6114 107.9549 44.7674 0.0000 174.5051 43 E 3.8468 8.0439 120.4376 60.0729 28.8923 178.6056 44 T 3.8480 8.0186 114.3131 66.8414 68.6256 176.0317 45 A 3.9834 7.9592 121.6746 55.2146 18.2539 179.0608 46 L 3.8715 7.8134 116.2689 58.3580 41.9973 179.5587 47 R 3.9999 7.8703 117.3142 59.4811 29.8901 178.4768 48 L 3.8139 7.5885 118.9117 58.5589 42.1018 179.0380 49 S 4.1949 7.8176 112.3282 61.1287 62.6020 174.4281 50 E 4.2441 7.8042 120.8949 56.7234 29.2789 176.6893 *52 V 3.8274 7.5521 110.7385 61.2545 32.6442 174.7816 53 E 4.7274 8.6115 120.3771 55.2384 33.3711 175.2868 54 G 3.8185 8.4487 105.6390 44.4241 0.0000 172.7762 55 N 4.7076 9.1616 122.6195 53.0834 40.1598 175.3438 56 I 5.1789 8.4556 127.5063 59.4359 40.4110 174.9451 57 V 4.8748 9.0581 126.4841 59.9240 34.2629 174.2194 58 S 5.2314 9.1974 120.6587 56.5584 64.5402 172.7778 59 V 4.8632 8.6504 120.7359 60.1230 34.0608 175.5751 60 T 5.0449 7.9386 120.2152 59.7887 69.7163 173.4518 61 H 4.6697 8.4540 118.9145 55.6885 29.6463 175.6756 62 H 4.4118 8.6707 115.5448 54.7731 29.4429 174.6896 63 A 4.2986 8.2758 124.2508 53.7906 18.6069 178.2120 64 G 4.0213 9.1654 111.8735 44.9776 0.0000 174.3901 65 F 4.0554 7.6826 121.4233 60.3394 39.6773 175.3725 66 R 4.2552 8.1022 117.7035 56.9902 31.7215 175.5663 67 E 4.6752 7.6456 115.8907 53.7277 33.0812 175.0486 68 K 3.8494 8.8185 121.6330 58.4092 32.4233 176.8713 69 G 3.9486 8.9413 110.0792 45.9947 0.0000 172.8362 70 Q 4.6229 8.1020 118.6936 53.5679 31.1686 174.2549 71 L 4.8946 8.2294 123.5678 53.1853 43.5161 176.2189 72 E 4.0710 8.8522 126.0143 59.0380 29.7637 177.3077 73 L 4.0492 7.7378 120.8848 54.6656 42.5962 176.8583 74 E 4.2183 8.6333 125.9311 56.1267 31.4643 177.5912 75 D 4.3853 8.6460 122.1917 57.5075 40.9348 179.0349 76 E 3.9232 8.1575 118.2798 59.5156 29.6255 179.0799 77 A 4.0257 7.9744 120.1573 55.0424 18.3858 179.4147 78 R 3.7977 8.0180 117.1150 59.7077 30.2280 178.0466 79 D 4.3662 8.2937 118.6438 57.6043 40.6904 178.7125 80 A 4.0016 8.0884 119.8374 55.4445 18.5527 179.3910 81 L 4.0735 7.9531 116.8480 58.1661 41.8418 179.8876 82 L 3.9755 8.3109 119.0570 57.7373 41.2355 179.3090 83 E 3.9985 8.1657 118.7863 58.9575 29.6656 178.3471 84 R 4.2441 7.9759 116.4444 56.7451 30.4443 177.3778 85 G 3.8856 7.7088 106.6371 44.7422 0.0000 173.3515 86 V 4.1140 7.4074 119.7800 61.5819 32.1555 175.5115 87 N 4.4366 8.7271 126.5541 53.8158 39.4066 174.1913 88 V 4.8688 8.4564 123.9649 61.3909 33.5408 174.0970 89 Y 5.1013 9.1832 127.8322 56.0097 42.7873 173.6354 90 A 4.5461 7.2931 124.7303 50.4255 22.1724 175.5935 91 G 3.7800 8.1937 109.1009 44.1956 0.0000 173.1790 92 S 3.9604 8.7009 114.1910 58.5934 63.2324 174.2696 93 H 4.2181 8.7640 120.7299 55.8511 28.8765 176.1189 94 A 4.0343 8.8573 127.9230 54.8601 18.3132 177.7506 95 L 4.7180 8.7721 114.4746 54.4622 41.4819 177.1041 96 S 4.5757 7.6618 112.7692 58.6100 68.3543 175.7100 97 G 4.2249 8.3240 112.4142 45.1304 0.0000 174.4180 98 V 3.8402 8.2913 117.0427 65.2141 31.6184 179.0708 99 G 3.6857 7.8098 104.7727 47.7583 0.0000 175.5548 100 R 4.6441 7.5591 122.4509 58.3463 29.5630 178.6566 101 G 3.6702 7.9667 105.3788 47.6515 0.0000 175.5602 102 I 3.9348 7.9034 122.1129 64.5239 37.1729 178.7604 103 S 4.2306 8.1267 115.8958 61.7226 62.4504 176.5106 104 N 4.3566 8.5584 118.4575 55.5663 38.2322 176.5056 105 R 4.0993 7.4051 118.1177 57.2672 30.8414 177.1101 106 F 4.7850 8.7161 114.1250 56.5820 40.3517 174.8876 107 G 4.4833 8.9510 110.4886 45.7154 0.0000 176.1174 108 G 4.2571 7.4781 110.3375 44.2525 0.0000 174.5400 109 V 4.6431 8.1210 117.1303 59.8749 35.5168 174.2860 110 T 4.5147 9.0611 113.7694 59.5167 70.9355 174.0351 111 P 4.3200 0.0000 0.0000 65.8416 31.4967 179.3517 112 V 3.7053 7.8576 115.6710 64.7050 31.5406 177.3053 113 E 4.3006 8.0506 119.9139 59.0021 29.6000 178.5766 114 I 4.2809 7.5555 120.1398 61.3813 36.9791 178.1113 *116 A 4.2734 8.2028 124.3058 52.2952 20.3035 179.5515 117 E 3.9916 7.9792 114.2747 59.5885 29.6119 178.9214 118 T 4.0473 7.9670 115.3537 66.6578 68.6343 176.3631 119 L 4.2774 7.9369 119.1440 57.2885 42.8748 179.0567 120 R 5.0879 7.8566 120.3122 55.8991 25.5174 177.1129 *122 V 3.6402 7.3282 120.7744 61.4483 33.8429 174.8209 123 S 4.6610 6.7687 111.6721 57.0258 66.0325 177.9267 124 Q 4.1002 8.3282 119.2353 59.1384 28.5111 178.9323 125 G 3.7330 8.1912 106.2483 47.8064 0.0000 175.0897 126 F 4.1816 8.3663 122.9928 61.0551 39.4168 177.3559 127 K 4.2362 8.2714 118.5407 59.9829 32.5378 179.7140 128 V 3.6688 7.6627 113.0482 63.8993 31.3696 177.9915 129 C 4.0555 8.4639 117.1979 63.1286 27.9277 176.7070 130 V 3.5468 7.2341 112.5537 63.9844 30.9013 178.0682 131 E 3.8910 7.7858 118.2821 59.5252 29.5730 178.9702 132 I 3.8602 8.3730 111.6297 63.4693 37.9260 177.7069 133 A 4.1347 7.5669 123.1929 55.0251 18.1639 180.2851 134 I 3.6241 7.7842 114.9938 62.2389 36.8090 177.8995 *136 A 4.0046 8.0185 125.1802 52.2026 20.6158 179.8199 137 A 4.1668 7.8495 118.7577 55.1227 18.4700 179.6504 138 D 4.4105 8.2279 117.0337 57.3244 40.6558 178.4944 139 A 4.0990 7.6016 118.9801 52.4050 18.5135 178.0942 140 G 3.8182 7.9723 105.5119 45.9319 0.0000 174.7828 141 L 4.2105 7.9301 121.2970 55.7122 41.8736 176.8451 142 I 4.6783 7.1482 110.6748 58.0528 40.7210 172.6828 143 P 4.5125 0.0000 0.0000 62.7637 32.0802 176.3181 144 V 4.3371 8.0587 110.4675 61.3407 32.5297 176.4773 145 D 4.4379 8.0824 120.2731 56.0558 41.5573 175.9135 146 E 4.7912 7.5747 114.9053 54.2673 32.3225 174.6015 147 E 4.5871 8.3479 117.3158 56.5766 30.6247 176.4578 148 V 4.4121 8.8725 121.3031 61.5162 36.1084 173.5600 149 I 4.7580 8.0261 125.5065 59.6360 39.1527 174.4395 150 A 5.0813 9.0872 129.7686 50.3518 21.4884 175.5038 151 I 4.9149 8.6000 122.6077 59.5530 40.6704 175.1842 152 G 4.4582 9.5918 113.4356 45.4807 0.0000 170.6067 153 G 4.9491 8.1926 105.1210 45.8742 0.0000 172.7479 154 T 4.2420 8.6499 117.2573 62.5431 68.2197 174.4628 155 A 3.5017 8.5885 133.7228 52.3916 17.2104 177.2536 156 W 4.7869 7.3888 112.7196 55.6531 32.9318 177.6523 157 G 3.7342 8.9114 109.5895 45.6837 0.0000 172.6305 158 A 4.9016 8.8536 123.9897 50.8846 22.3844 176.3549 159 D 4.8869 8.4839 116.0979 53.6636 42.9122 174.5891 160 T 5.6157 9.0492 116.4590 61.2566 73.0907 172.7670 161 A 5.1726 8.6541 126.2811 50.4007 22.8921 174.7464 162 L 5.0980 9.3464 121.4095 52.8065 46.5755 175.7399 163 V 4.8241 8.7468 121.6116 61.3358 33.6139 174.5854 164 L 4.7306 8.9072 127.6378 55.1444 45.0706 174.4276 165 T 4.8907 8.4384 115.4314 61.0595 70.6382 172.8872 166 P 4.8621 0.0000 0.0000 63.0597 32.3337 175.2497 167 A 4.5689 7.8644 120.0185 50.3436 22.2625 177.7886 168 H 5.4692 8.8466 123.3832 54.9032 27.4201 179.1845 *170 N 4.8145 8.9046 128.1163 53.2449 38.7226 174.0124 171 S 4.7732 7.7544 114.7176 57.5104 63.7846 176.6463 172 V 3.4006 8.2176 115.9190 66.1086 31.3475 178.8292 173 F 4.7113 7.8422 112.3530 58.7018 38.1542 175.2248 174 D 4.8893 8.1052 119.5320 54.0094 41.4142 176.2169 175 L 4.3705 8.1262 122.6436 54.7827 42.9423 176.1751 176 R 4.6406 8.5372 124.4453 54.4156 33.2927 174.6178 177 I 4.2662 8.3313 124.5584 60.7107 37.8970 174.8344 178 H 4.7674 9.2875 125.3734 57.5088 29.3726 175.5848 179 E 4.7209 7.9332 116.4385 54.5355 34.1397 174.6568 180 V 4.4379 8.3253 123.0418 61.4695 31.9460 175.2659 181 I 3.9523 8.4259 130.1606 64.3032 38.3319 175.9247 182 A 5.1190 7.5226 120.6909 51.4663 22.7863 173.2516 *184 P 4.7009 0.0000 0.0000 62.5888 31.8153 177.4112 185 R 4.0374 9.1650 125.9372 58.7758 30.7975 174.7534 186 P 4.4371 0.0000 0.0000 62.8382 31.3266 175.8851 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 E 8.44 4.29 0.00 1.95 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 2.19 2.35 0.00 3 K 8.21 4.44 0.00 1.78 1.66 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.48 7.81 4 K 8.43 4.49 0.00 1.79 1.76 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.36 7.81 5 I 7.63 4.43 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.66 0.60 0.00 0.00 6 C 8.26 4.20 0.00 2.79 2.19 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 7 Y 7.99 4.62 0.00 2.85 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 8 F 8.29 4.54 0.00 3.17 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.36 4.00 0.00 2.01 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 2.40 0.00 10 E 7.80 4.83 0.00 1.98 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 2.26 2.27 0.00 11 P 0.00 4.57 0.00 2.23 2.12 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 12 G 8.47 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 0.00 0.00 0.00 0.00 13 K 8.77 3.99 0.00 1.96 1.87 0.00 1.71 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.54 7.81 14 E 8.28 3.95 0.00 2.05 2.05 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 2.27 2.32 0.00 15 N 7.82 4.08 0.00 2.20 1.42 0.00 0.00 6.97 6.92 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 16 T 7.44 3.92 4.21 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 1.20 0.00 0.00 17 E 8.21 3.91 0.00 2.06 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 2.38 2.44 0.00 18 R 7.91 3.96 0.00 2.08 2.26 0.00 3.36 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 19 V 7.94 3.87 2.25 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 0.94 0.00 0.00 1.03 0.00 0.00 20 L 8.46 4.03 0.00 1.79 1.69 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.16 3.98 0.00 2.19 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 2.34 2.65 0.00 22 L 8.37 4.05 0.00 1.70 1.73 0.91 0.82 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 23 V 8.19 3.83 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 0.94 0.00 0.00 1.00 0.00 0.00 24 G 7.85 3.75 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 0.00 0.00 0.00 25 E 8.07 3.94 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 26 R 8.18 3.87 0.00 1.99 1.95 0.00 3.23 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 27 A 8.64 4.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.95 4.31 0.00 2.86 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 29 Q 8.02 4.15 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 30 L 7.98 4.44 0.00 1.59 1.68 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.45 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 32 I 7.45 4.40 1.73 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 1.35 0.61 0.45 0.00 0.00 33 R 8.35 4.80 0.00 1.90 2.09 0.00 2.93 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 34 N 7.71 5.38 0.00 2.46 2.64 0.00 0.00 6.81 8.13 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 35 F 9.45 5.40 0.00 2.94 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.46 4.91 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 0.69 0.00 0.00 0.98 0.00 0.00 37 V 9.07 4.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 38 A 8.56 4.67 1.20 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 0.00 0.00 39 S 9.04 4.21 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.53 3.53 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 0.74 0.00 0.00 0.46 0.00 0.00 41 S 7.91 4.25 0.00 4.05 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 42 G 8.61 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.04 3.85 0.00 2.09 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 2.32 2.38 0.00 44 T 8.02 3.85 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 45 A 7.96 3.98 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 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0.00 7.47 7.84 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 56 I 8.46 5.18 1.89 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 1.40 1.04 0.92 0.00 0.00 57 V 9.06 4.87 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 0.92 0.00 0.00 0.95 0.00 0.00 58 S 9.20 5.23 0.00 3.90 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 59 V 8.65 4.86 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 60 T 7.94 5.04 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 1.19 0.00 0.00 61 H 8.45 4.67 0.00 3.03 2.98 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.67 4.41 0.00 3.25 3.53 0.00 5.46 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.28 4.30 1.27 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 2.86 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 106 F 8.72 4.78 0.00 2.97 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 0.00 107 G 8.95 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.48 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.12 4.64 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 110 T 9.06 4.51 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 1.32 0.00 0.00 111 P 0.00 4.32 0.00 2.23 2.20 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 112 V 7.86 3.71 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 0.74 0.00 0.00 0.96 0.00 0.00 113 E 8.05 4.30 0.00 2.20 2.07 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 0.00 124 Q 8.33 4.10 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 125 G 8.19 3.73 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 0.00 126 F 8.37 4.18 0.00 3.22 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 0.00 127 K 8.27 4.24 0.00 2.17 2.15 0.00 1.27 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.62 7.81 128 V 7.66 3.67 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 0.94 0.00 0.00 0.95 0.00 0.00 129 C 8.46 4.06 0.00 2.99 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 0.00 130 V 7.23 3.55 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 0.71 0.00 0.00 0.89 0.00 0.00 131 E 7.79 3.89 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 132 I 8.37 3.86 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.78 0.90 0.00 0.00 133 A 7.57 4.13 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 0.00 134 I 7.78 3.62 1.98 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 1.37 0.72 0.88 0.00 0.00 *136 A 8.02 4.00 1.32 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 0.00 0.00 137 A 7.85 4.17 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 0.00 138 D 8.23 4.41 0.00 2.74 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 0.00 139 A 7.60 4.10 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.93 4.21 0.00 1.58 1.65 0.74 0.73 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 0.00 142 I 7.15 4.68 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.88 0.00 0.00 143 P 0.00 4.51 0.00 2.16 2.05 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 144 V 8.06 4.34 2.05 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 0.43 0.00 0.00 0.90 0.00 0.00 145 D 8.08 4.44 0.00 2.61 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 0.00 146 E 7.57 4.79 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 147 E 8.35 4.59 0.00 1.82 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 2.31 2.27 0.00 148 V 8.87 4.41 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 0.96 0.00 0.00 0.84 0.00 0.00 149 I 8.03 4.76 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.96 1.08 0.00 0.00 150 A 9.09 5.08 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 0.00 151 I 8.60 4.91 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.94 0.00 0.00 152 G 9.59 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.19 4.95 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 0.00 154 T 8.65 4.24 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 1.21 0.00 0.00 155 A 8.59 3.50 0.32 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 0.00 0.00 156 W 7.39 4.79 0.00 3.47 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 0.00 157 G 8.91 3.73 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 0.00 158 A 8.85 4.90 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 0.00 159 D 8.48 4.89 0.00 2.72 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 9.05 5.62 4.33 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 1.39 0.00 0.00 161 A 8.65 5.17 1.24 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 0.00 0.00 162 L 9.35 5.10 0.00 1.41 1.38 0.86 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.75 4.82 2.27 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 0.96 0.00 0.00 0.91 0.00 0.00 164 L 8.91 4.73 0.00 1.77 1.55 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 165 T 8.44 4.89 4.21 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 1.19 0.00 0.00 166 P 0.00 4.86 0.00 2.01 2.09 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.02 0.00 167 A 7.86 4.57 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 0.00 168 H 8.85 5.47 0.00 3.31 2.41 0.00 5.93 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 N 8.90 4.81 0.00 2.84 2.98 0.00 0.00 5.64 7.64 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 0.00 171 S 7.75 4.77 0.00 4.14 4.05 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 0.00 172 V 8.22 3.40 1.53 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 0.62 0.00 0.00 0.20 0.00 0.00 173 F 7.84 4.71 0.00 3.11 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 0.00 174 D 8.11 4.89 0.00 2.76 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 0.00 175 L 8.13 4.37 0.00 1.69 1.52 0.84 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 176 R 8.54 4.64 0.00 1.65 1.71 0.00 3.34 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 177 I 8.33 4.27 1.90 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 1.19 0.48 0.90 0.00 0.00 178 H 9.29 4.77 0.00 3.12 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 E 7.93 4.72 0.00 1.86 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 180 V 8.33 4.44 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 0.91 0.00 0.00 1.12 0.00 0.00 181 I 8.43 3.95 1.99 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 1.17 0.79 0.92 0.00 0.00 182 A 7.52 5.12 1.08 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 0.00 0.00 *184 P 0.00 4.70 0.00 2.10 2.22 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.36 0.00 185 R 9.17 4.04 0.00 1.88 2.09 0.00 3.20 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 186 P 0.00 4.44 0.00 2.12 1.98 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.