NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9005 8.4545 109.7419 44.9274 0.0000 174.0408 4 K 4.3175 7.8748 120.7510 51.3058 32.8021 179.0031 5 I 4.1437 8.0854 115.0848 61.8806 39.1984 174.9325 6 S 5.1501 7.5902 112.7595 58.8063 64.6814 175.2611 7 A 4.2889 8.8369 122.7441 52.7481 18.6349 177.5728 8 L 4.5079 7.2262 115.6888 52.8519 43.1698 177.2118 9 D 4.5972 8.4932 123.7231 55.2162 40.1801 177.4159 10 L 4.4163 7.4772 129.3658 54.5553 42.9796 177.4148 *13 G 3.7859 8.5252 108.1044 47.5494 0.0000 169.7596 14 E 4.5124 8.6583 121.6923 54.7690 29.6920 177.0092 15 L 4.2001 8.4707 127.5886 54.2426 42.6512 178.0318 16 S 4.3794 8.2233 116.3680 58.1200 65.1052 175.3598 17 E 3.9148 8.5410 122.1004 59.1371 29.3085 177.6709 18 P 4.2270 0.0000 0.0000 66.0450 31.3935 178.7641 19 T 3.7025 7.7390 114.1361 66.4275 68.2748 176.9747 20 K 3.9090 8.1483 120.3333 59.2767 32.0426 179.2644 21 A 4.0282 8.2408 121.3018 55.2924 18.2412 179.0840 22 Y 4.1193 8.1810 118.0832 60.9229 38.8618 178.1857 23 F 4.3818 8.5487 118.6165 60.5134 38.9045 177.4870 24 A 4.0293 8.2041 120.5715 55.1572 18.2035 179.8636 25 K 3.8977 7.9539 116.5234 59.5592 32.0343 179.3827 26 C 3.9928 7.9851 117.2589 62.7630 28.0258 175.9714 27 E 3.8768 8.2353 120.1098 59.3416 28.8440 178.8973 28 E 3.9495 8.1993 120.5839 59.8894 29.7358 179.2567 29 K 4.2080 7.9234 122.0499 58.7138 32.1944 179.9081 30 L 4.7302 8.3291 117.9538 53.6015 42.8070 178.0070 31 G 3.9226 9.3421 106.4215 45.3035 0.0000 172.8202 32 L 4.2071 7.1468 117.3226 54.7517 42.8478 174.5922 33 V 3.8981 7.8350 119.3243 60.2503 31.9849 173.6765 34 P 4.2871 0.0000 0.0000 63.4098 31.7518 177.3426 35 N 4.4348 9.4655 121.0679 56.1107 38.2536 177.8091 36 V 3.4836 8.2499 120.9729 65.0516 30.9781 178.5421 37 L 4.1493 7.7551 118.4195 57.3316 41.8416 179.3308 38 K 4.3748 7.9410 117.9777 59.3653 31.8829 178.7696 39 A 4.0470 8.1004 120.3699 55.5715 18.5297 178.7162 40 Y 3.8905 7.9569 112.8467 59.0121 38.0388 176.8711 41 A 4.3606 7.6853 120.6503 52.7996 18.7443 178.2123 42 F 4.2966 7.9963 112.4705 58.7475 38.4765 175.6384 43 D 4.3862 7.1821 121.0484 52.0004 43.8957 175.1786 44 D 4.3261 8.8405 130.4894 57.7316 41.0155 179.4299 45 K 3.9784 7.9983 123.9965 59.6059 31.6081 182.6137 46 K 4.1742 7.9972 119.3974 59.2089 32.1108 178.7062 47 L 3.9500 7.9251 120.8064 58.5705 41.9072 179.1252 48 R 3.7512 8.4525 118.3216 59.3511 29.9775 178.3761 49 A 3.9856 7.9421 120.3046 54.9074 18.3048 179.3677 50 F 3.9420 8.4903 119.8494 61.6659 39.4551 177.5290 51 T 3.6955 8.1172 109.4877 64.6667 68.3366 176.2282 52 D 4.2682 8.0755 121.6279 57.2068 40.8929 178.8365 53 I 3.5319 7.5171 120.0981 64.4126 36.9143 177.5864 54 Y 3.2848 7.3435 119.0632 60.8807 38.5295 177.9657 55 N 4.5076 7.9862 115.6198 56.1235 38.9171 176.7010 56 D 4.4166 7.7392 119.5043 57.1324 41.1582 177.5604 57 L 3.8674 7.1024 116.3453 56.3499 41.8665 177.2184 *59 L 4.2089 7.7905 116.5972 54.5854 43.4803 177.0730 60 G 3.8894 7.5753 107.7204 44.2019 0.0000 173.3396 61 E 4.0533 8.4533 118.9893 56.6033 29.9438 176.9561 62 S 4.5594 8.1221 113.4275 57.3860 64.9573 176.3647 63 G 4.1987 8.8877 114.8990 47.2656 0.0000 173.5409 64 L 4.6375 7.7570 120.0908 53.5474 42.8620 177.3451 65 S 4.5272 9.0214 118.3578 57.5835 65.4663 175.7760 66 K 3.9805 8.4096 120.6493 59.3105 31.5052 179.2986 67 L 3.9140 7.8793 119.2003 58.3078 42.1553 177.9641 68 D 4.5963 7.9814 117.6385 57.9507 41.1171 179.3511 69 R 4.1500 7.7566 118.0390 58.8761 30.0907 179.5652 70 E 3.8569 8.0273 117.3259 56.5957 29.4378 179.1086 *72 I 3.9143 7.8277 121.5217 61.3753 39.5197 178.0583 73 A 3.1810 7.7054 121.8929 54.8594 17.8521 179.9458 74 V 3.4184 7.7067 116.5370 65.7878 31.4701 177.9805 75 A 3.9792 7.8221 120.1118 55.2358 18.2159 179.5867 76 V 3.5056 7.6930 116.5428 66.3979 31.5999 178.4648 77 S 4.4440 7.9640 116.1717 60.8687 62.4252 176.7053 78 S 4.0453 8.4509 116.3955 61.4095 61.9780 176.0921 79 I 3.6614 7.2122 120.8242 64.5123 37.0626 177.5666 80 N 4.5667 7.9497 113.4179 52.8082 39.3902 174.5101 81 H 3.9246 7.5333 116.7612 56.8719 26.7003 176.0950 82 C 4.4828 8.1599 120.8420 58.1925 31.3465 172.8313 83 Y 4.3256 8.8464 128.7194 60.9230 38.3000 176.9345 84 Y 3.5603 8.0853 119.6639 61.1700 38.8415 177.9852 85 C 4.3975 8.2152 116.7526 62.5279 28.4263 175.9099 86 L 3.9805 8.2981 121.1732 57.9366 41.1311 179.6224 87 T 3.6605 7.5817 114.9884 66.4470 68.2665 176.6905 88 A 2.5800 7.4583 122.3673 55.1896 18.3929 179.4081 89 H 4.3179 8.2103 114.5463 58.0872 28.8368 178.1875 90 G 3.6159 7.8549 107.8541 47.8866 0.0000 175.5507 91 A 4.0310 7.8504 123.2069 54.6372 18.3211 179.6454 92 A 3.9333 7.6674 119.2660 55.2300 18.4889 179.9777 93 V 3.5341 7.9501 116.8774 66.2798 31.6067 178.4389 94 R 3.9350 8.0504 117.7335 59.3607 29.6781 178.9090 95 Q 3.9864 8.2191 118.6404 59.1570 29.1516 177.8402 96 L 4.2033 8.2940 119.8238 57.1955 41.7998 178.8474 97 S 4.4611 8.2623 113.3694 58.3374 63.4610 175.3127 98 G 3.8401 8.0901 108.6399 45.8606 0.0000 173.1666 99 D 4.7451 7.9977 120.2228 50.7473 41.8699 174.2870 100 P 4.2616 0.0000 0.0000 65.5044 31.2062 177.7164 101 A 4.0128 8.1317 117.5391 55.3133 18.2546 178.8970 102 L 4.1584 7.7316 117.5039 58.2079 42.4391 179.0611 103 G 3.8674 8.0832 105.1555 47.7655 0.0000 175.9692 104 E 3.8670 7.5943 116.0269 56.8433 28.8464 177.9167 *106 L 4.4429 7.9280 120.9617 55.0317 43.4011 178.4171 107 V 3.4907 7.6443 114.4785 64.3421 31.3849 175.1540 *109 N 4.4251 7.9375 117.1796 53.5392 38.7818 174.0777 110 F 4.2540 8.9139 122.3050 60.0163 37.7603 177.9139 111 R 3.6150 6.7263 118.4144 58.4210 29.8383 177.5678 112 A 4.0613 7.8865 119.5075 53.6607 18.7401 177.5168 113 A 4.4995 7.8637 118.9424 51.5885 19.8926 177.7898 114 D 4.7056 8.2840 121.4422 52.9615 39.5661 176.0480 115 L 4.7161 7.6225 121.6418 52.9141 43.9610 177.4954 116 S 4.4021 8.6336 116.7743 57.5464 65.0058 173.6912 117 P 4.2634 0.0000 0.0000 65.8627 30.8215 178.7845 118 R 3.8863 7.8989 115.5167 59.6554 30.0635 178.0516 119 Q 4.2682 7.9347 116.3611 59.3252 28.9832 178.5719 120 T 4.1886 8.1674 116.4996 66.4939 68.4662 177.3641 121 A 4.2807 8.0329 119.9036 52.7828 18.2451 179.1326 *123 L 3.9706 7.9154 122.8085 56.2846 44.0373 179.2139 124 E 4.0855 8.6149 118.5336 59.5226 29.3550 179.2712 125 F 4.0861 8.5033 120.3778 61.0305 39.4344 176.8609 126 A 3.8737 8.0551 120.0166 55.1818 18.0658 179.4018 127 V 3.4700 8.0020 116.9734 66.2570 31.6024 178.2418 128 K 3.8740 7.7842 118.7383 59.2909 31.7890 178.5620 129 L 3.8965 7.3388 119.8056 58.0638 41.9202 178.9301 130 T 4.0035 7.4601 115.2273 66.4670 68.5513 176.2457 131 E 4.3331 8.2351 119.5093 57.7197 31.4914 177.3511 132 E 4.7341 8.4655 116.6926 54.2090 29.5766 173.9386 133 P 4.1663 0.0000 0.0000 66.0160 32.2774 179.3837 134 A 4.0027 8.0737 121.1428 54.5834 18.2296 177.9276 135 K 4.4129 7.6678 112.5759 56.1074 32.5719 176.7913 136 I 4.0164 7.2479 120.6956 61.5069 37.4872 175.6736 137 V 4.5940 9.1394 117.8924 58.4664 35.5951 175.9870 138 E 3.9583 8.8876 119.8331 59.8520 28.7619 178.4957 139 A 4.1021 8.0563 119.9460 54.9318 17.8697 179.1800 140 D 4.4570 8.1957 117.8851 57.4369 40.9998 179.1208 141 R 3.7760 8.0227 117.9159 59.1714 30.1306 178.4062 142 A 3.9990 8.3850 120.7900 55.5958 18.3472 179.6321 143 A 3.9862 7.8483 118.5193 55.0766 18.4761 179.9001 144 L 4.0958 7.6378 116.7054 58.0445 41.5734 179.9644 145 R 4.2402 8.0473 119.3467 58.7609 29.8191 179.1379 146 K 3.8893 8.2017 117.2389 59.3994 32.1335 178.5981 147 A 4.2292 7.7527 118.8590 52.9066 18.4214 177.9185 148 G 3.7428 8.2176 105.6891 45.5512 0.0000 173.3256 149 F 4.7267 7.9415 118.1446 55.6307 40.5697 176.5824 150 S 4.5007 8.9401 120.4648 57.9154 65.4356 175.1364 151 D 4.4220 8.4883 120.6757 57.1665 40.5437 178.9343 152 R 3.9642 7.9917 119.0616 59.3365 30.2144 178.1213 153 D 4.4017 8.2644 118.8495 57.3374 40.7691 178.6322 154 I 3.3736 7.7954 120.2315 64.0752 37.1128 178.0219 155 W 4.1186 8.2690 128.9766 60.8547 30.4890 177.7380 156 D 4.4187 8.3766 118.6096 57.3142 40.2482 178.8449 157 I 3.6046 8.2215 120.5089 64.2111 37.0294 178.4021 158 A 4.1020 8.1622 121.8230 55.4042 18.2933 179.8287 159 S 3.8410 8.0056 114.0581 61.8513 62.8797 177.2928 160 T 3.9120 7.9225 118.1655 66.5228 68.4118 176.7367 161 A 4.0588 8.1149 122.4401 55.0598 18.1956 179.3922 162 A 3.8830 8.0754 118.3889 55.3859 18.5636 179.0937 163 F 4.0330 7.9399 117.5321 61.6860 39.6132 177.1206 164 F 4.1761 8.2318 116.0500 59.5546 38.1880 177.6358 165 N 4.6836 7.7564 113.8899 54.0928 37.9630 176.9918 *167 S 4.0834 8.2083 116.4302 58.6959 64.5436 175.9913 168 N 4.3923 8.3494 117.7276 56.4310 38.1228 177.6516 169 R 4.0095 7.5583 119.0983 58.8172 30.1342 179.1089 170 V 3.4989 7.6687 117.3894 65.8531 31.7265 177.6556 171 A 3.9335 8.0902 120.2855 55.2690 18.0242 179.4973 172 A 4.0014 7.9121 117.6168 55.2767 18.5115 179.4379 173 A 4.1188 7.9767 118.7595 54.2266 18.7082 178.8410 174 I 4.1291 7.4693 109.0406 58.8027 38.6871 171.1341 175 D 4.3774 7.5544 127.7983 53.7456 42.8056 172.5136 *177 R 4.5292 8.3798 123.4718 55.4105 31.2694 173.6797 178 P 4.2171 0.0000 0.0000 61.6662 32.4729 175.8181 179 N 4.1798 8.7663 117.0765 54.1615 39.1257 175.8070 180 D 4.3911 8.7047 121.2670 57.2853 40.9139 178.0412 181 E 3.9213 8.1545 118.8263 59.6809 29.0781 178.7089 182 Y 4.0949 7.4372 116.0045 61.4189 37.9038 178.0480 183 H 4.4424 8.0133 116.1585 57.9388 30.1669 176.4409 184 A 4.2198 7.2326 124.6298 50.7864 17.4236 177.4689 *186 A 4.1729 7.3647 123.5138 51.6803 20.4746 177.4930 187 R 4.2492 7.8784 124.5426 56.7389 30.4761 176.9883 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 3 G 8.45 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 4.32 0.00 1.87 1.59 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.06 7.81 5 I 8.09 4.14 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.04 0.95 0.00 0.00 6 S 7.59 5.15 0.00 4.09 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 7 A 8.84 4.29 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 8 L 7.23 4.51 0.00 1.55 1.51 0.82 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.49 4.60 0.00 2.58 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 10 L 7.48 4.42 0.00 1.45 0.73 0.92 0.83 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 *13 G 8.53 3.79 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 0.00 0.00 0.00 14 E 8.66 4.51 0.00 2.27 1.91 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 2.25 1.90 0.00 15 L 8.47 4.20 0.00 1.65 1.47 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.22 4.38 0.00 4.00 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 17 E 8.54 3.91 0.00 1.98 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 2.39 2.34 0.00 18 P 0.00 4.23 0.00 2.09 2.07 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 19 T 7.74 3.70 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 20 K 8.15 3.91 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 21 A 8.24 4.03 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 22 Y 8.18 4.12 0.00 3.15 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.55 4.38 0.00 3.30 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 24 A 8.20 4.03 1.38 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 0.00 0.00 25 K 7.95 3.90 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.70 7.81 26 C 7.99 3.99 0.00 2.98 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 27 E 8.24 3.88 0.00 2.13 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 2.27 2.47 0.00 28 E 8.20 3.95 0.00 2.05 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 0.00 2.32 2.47 0.00 29 K 7.92 4.21 0.00 1.91 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.34 7.81 30 L 8.33 4.73 0.00 1.77 1.70 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.34 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 32 L 7.15 4.21 0.00 1.50 1.42 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.83 3.90 1.75 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 -0.24 0.00 0.00 0.78 0.00 0.00 34 P 0.00 4.29 0.00 2.26 2.15 0.00 3.56 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 35 N 9.47 4.43 0.00 3.09 3.01 0.00 0.00 6.35 6.98 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 36 V 8.25 3.48 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 0.97 0.00 0.00 0.58 0.00 0.00 37 L 7.76 4.15 0.00 1.75 2.13 1.15 1.22 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 38 K 7.94 4.37 0.00 2.04 1.93 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.24 7.81 39 A 8.10 4.05 1.26 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 40 Y 7.96 3.89 0.00 2.95 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 41 A 7.69 4.36 1.55 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 0.00 0.00 42 F 8.00 4.30 0.00 3.13 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 43 D 7.18 4.39 0.00 2.40 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 0.00 0.00 0.00 44 D 8.84 4.33 0.00 2.66 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 45 K 8.00 3.98 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.36 7.81 46 K 8.00 4.17 0.00 1.77 2.03 0.00 1.35 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.61 1.49 7.81 47 L 7.93 3.95 0.00 1.93 1.81 1.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.45 3.75 0.00 1.89 2.03 0.00 3.25 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 49 A 7.94 3.99 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 50 F 8.49 3.94 0.00 2.51 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 51 T 8.12 3.70 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 1.35 0.00 0.00 52 D 8.08 4.27 0.00 2.85 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 53 I 7.52 3.53 1.74 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.71 0.00 0.00 54 Y 7.34 3.28 0.00 2.15 2.54 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 0.00 0.00 0.00 0.00 55 N 7.99 4.51 0.00 2.81 2.88 0.00 0.00 7.06 7.65 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 56 D 7.74 4.42 0.00 2.75 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 57 L 7.10 3.87 0.00 1.41 1.44 0.39 0.12 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 *59 L 7.79 4.21 0.00 1.85 1.76 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.58 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.45 4.05 0.00 1.96 1.90 0.00 0.00 0.00 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 2.30 0.00 62 S 8.12 4.56 0.00 3.77 3.76 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 63 G 8.89 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 0.00 0.00 0.00 64 L 7.76 4.64 0.00 1.66 1.63 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.02 4.53 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.41 3.98 0.00 1.83 1.91 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.50 7.81 67 L 7.88 3.91 0.00 1.63 1.71 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.98 4.60 0.00 2.98 2.79 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0.00 0.00 0.00 86 L 8.30 3.98 0.00 1.77 1.75 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.58 3.66 3.87 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 0.92 0.00 0.00 88 A 7.46 2.58 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.21 4.32 0.00 3.26 3.31 0.00 5.64 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 90 G 7.85 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 91 A 7.85 4.03 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 92 A 7.67 3.93 1.44 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 0.00 0.00 93 V 7.95 3.53 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 1.03 0.00 0.00 0.99 0.00 0.00 94 R 8.05 3.93 0.00 2.08 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121 A 8.03 4.28 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 *123 L 7.92 3.97 0.00 1.19 0.55 0.61 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.61 4.09 0.00 2.18 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 2.75 2.60 0.00 125 F 8.50 4.09 0.00 3.05 2.96 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 0.00 0.00 0.00 126 A 8.06 3.87 1.27 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 0.00 0.00 0.00 127 V 8.00 3.47 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 1.18 0.00 0.00 1.09 0.00 0.00 128 K 7.78 3.87 0.00 1.84 1.58 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.39 7.81 129 L 7.34 3.90 0.00 1.13 1.55 0.73 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.46 4.00 4.35 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 1.24 0.00 0.00 131 E 8.24 4.33 0.00 1.89 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 2.31 2.42 0.00 132 E 8.47 4.73 0.00 2.01 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 2.15 2.20 0.00 133 P 0.00 4.17 0.00 2.19 2.45 0.00 3.67 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 2.04 1.92 0.00 134 A 8.07 4.00 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 0.00 135 K 7.67 4.41 0.00 1.88 1.84 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.38 7.81 136 I 7.25 4.02 1.86 0.00 0.00 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 1.20 0.60 1.02 0.00 0.00 137 V 9.14 4.59 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 0.80 0.00 0.00 1.00 0.00 0.00 138 E 8.89 3.96 0.00 2.10 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 2.40 2.48 0.00 139 A 8.06 4.10 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 0.00 140 D 8.20 4.46 0.00 3.07 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 0.00 141 R 8.02 3.78 0.00 2.02 1.95 0.00 3.19 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 142 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 0.00 143 A 7.85 3.99 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 0.00 144 L 7.64 4.10 0.00 1.79 1.68 -0.18 0.74 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 0.00 145 R 8.05 4.24 0.00 2.04 1.99 0.00 3.16 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 146 K 8.20 3.89 0.00 1.88 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.65 7.81 147 A 7.75 4.23 1.44 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 0.00 0.00 148 G 8.22 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 7.94 4.73 0.00 3.23 2.85 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 0.00 150 S 8.94 4.50 0.00 4.08 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 0.00 151 D 8.49 4.42 0.00 2.80 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 0.00 152 R 7.99 3.96 0.00 1.90 1.94 0.00 3.11 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 153 D 8.26 4.40 0.00 3.16 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.80 3.37 2.01 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 1.12 0.77 0.69 0.00 0.00 155 W 8.27 4.12 0.00 3.48 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 0.00 156 D 8.38 4.42 0.00 2.92 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 0.00 157 I 8.22 3.60 1.75 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.78 0.90 0.00 0.00 158 A 8.16 4.10 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 0.00 159 S 8.01 3.84 0.00 3.54 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.92 3.91 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 1.42 0.00 0.00 161 A 8.11 4.06 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 0.00 162 A 8.08 3.88 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 0.00 163 F 7.94 4.03 0.00 2.95 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 0.00 164 F 8.23 4.18 0.00 3.20 3.10 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 0.00 0.00 0.00 165 N 7.76 4.68 0.00 2.92 2.80 0.00 0.00 6.79 6.85 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 *167 S 8.21 4.08 0.00 3.76 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 0.00 168 N 8.35 4.39 0.00 2.80 2.92 0.00 0.00 7.10 8.51 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 0.00 169 R 7.56 4.01 0.00 1.73 1.95 0.00 3.23 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 170 V 7.67 3.50 2.04 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 0.99 0.00 0.00 0.92 0.00 0.00 171 A 8.09 3.93 1.35 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 0.00 0.00 172 A 7.91 4.00 1.41 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 0.00 0.00 173 A 7.98 4.12 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 0.00 174 I 7.47 4.13 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.90 0.89 0.00 0.00 175 D 7.55 4.38 0.00 2.99 2.66 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 0.00 0.00 0.00 0.00 *177 R 8.38 4.53 0.00 2.05 2.04 0.00 3.64 0.00 0.00 3.56 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 178 P 0.00 4.22 0.00 1.75 0.93 0.00 3.70 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.00 179 N 8.77 4.18 0.00 2.29 2.79 0.00 0.00 6.62 8.08 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 0.00 180 D 8.70 4.39 0.00 2.81 2.66 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 0.00 0.00 0.00 0.00 181 E 8.15 3.92 0.00 1.74 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 2.26 2.38 0.00 182 Y 7.44 4.09 0.00 2.88 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 0.00 183 H 8.01 4.44 0.00 3.29 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.23 4.22 1.21 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 0.00 0.00 *186 A 7.36 4.17 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 0.00 187 R 7.88 4.25 0.00 1.80 1.84 0.00 3.43 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.