NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4414 8.3344 115.4132 57.3850 63.8767 175.3643 22 N 4.2889 8.9558 108.3636 52.2138 41.9071 170.2536 23 A 4.8577 8.4475 125.6982 51.1258 23.8074 174.1939 24 S 4.6783 8.8784 112.5208 55.4409 66.0666 174.6444 25 A 4.0631 8.5954 124.7582 55.2457 17.8334 179.6673 26 E 3.9746 8.2319 116.7047 59.9113 29.4765 179.2109 27 D 4.3454 7.9648 118.4436 57.1546 40.7845 179.0394 28 V 3.5818 7.6346 118.3562 65.8640 31.6570 177.6675 29 L 4.0006 8.3799 119.1158 58.0784 41.4462 179.1911 30 N 4.2847 8.3361 116.2492 56.3216 38.6260 176.9455 31 L 3.9532 8.0849 121.6055 58.4227 42.1568 179.1867 32 L 4.2294 8.3966 119.0627 57.9584 41.6450 179.6435 33 R 4.0288 8.7402 118.3659 59.0980 29.9199 178.9678 34 Q 4.5491 8.7062 120.8973 58.7220 29.0364 178.1146 35 A 3.8017 7.7801 121.5242 55.2654 18.2887 178.8871 36 H 3.8974 8.0853 118.2175 58.7066 29.9539 177.3139 37 E 3.8316 8.0907 118.9389 58.7422 29.1433 177.9243 38 Q 4.1932 7.6146 117.3151 54.7832 28.8553 175.2684 39 E 3.7701 7.8681 117.7903 57.2079 27.7106 176.1639 40 V 3.6515 7.6599 121.5713 65.5863 31.3408 175.5062 41 F 4.8655 6.9190 112.8091 54.7161 40.5878 172.6310 42 D 4.7921 8.5876 121.4441 51.8158 42.4096 176.9179 43 A 3.8084 8.5358 120.4725 55.6246 18.1629 179.3942 44 D 4.3190 8.1096 116.5959 57.9087 40.8610 179.0896 45 T 3.7773 8.4541 116.2523 66.4300 68.4202 176.3861 46 L 3.9978 8.1428 122.2543 58.3446 42.1036 179.1514 47 L 4.0209 8.0001 118.8560 57.5518 41.4839 179.5043 48 R 3.8475 7.8453 118.9280 59.2485 30.0450 178.5588 49 L 3.9015 8.1073 119.1954 57.9017 41.5655 179.3956 50 E 4.0129 8.3105 118.5346 59.1186 29.2478 179.3316 51 K 3.9291 8.0810 119.8479 59.4753 32.2888 179.0057 52 V 3.5615 7.7780 118.5348 65.9565 31.1854 177.9470 53 L 4.0356 7.7708 117.6601 58.0598 41.9053 179.0053 54 D 4.5136 8.4025 118.9219 57.2782 40.7681 178.5593 55 F 4.1634 8.7099 121.8255 61.1428 39.1496 177.0544 56 S 4.3238 7.9722 112.1661 60.2981 62.9718 174.8255 57 D 4.5409 7.7392 119.8922 53.7626 41.7495 175.5909 58 L 4.6174 7.0144 119.0638 54.0682 43.4677 175.2393 59 E 5.0607 9.1424 120.2301 53.9051 33.1689 177.3282 60 V 3.5355 8.6459 120.1135 66.4538 31.5709 178.2055 61 R 3.8961 7.8728 117.3326 59.6692 29.9293 177.5036 62 D 4.4557 8.2200 115.3390 55.6617 41.5242 176.1339 63 A 4.6330 7.6978 121.4760 51.0034 19.1835 176.4875 *65 I 3.9757 7.3698 121.9655 61.2909 39.2907 177.4024 66 T 4.3111 8.4508 121.5426 62.0261 68.2821 174.4364 67 R 4.0904 8.7874 128.4157 59.8519 29.6935 178.1108 68 S 4.3197 8.3898 110.1267 59.9451 63.0688 174.6618 69 R 4.3102 7.7085 121.3960 54.1213 29.3706 173.0190 *71 N 4.7002 8.1172 115.7774 53.1174 39.6092 174.2740 72 V 4.9252 8.4649 115.3549 59.5305 35.6089 174.8316 73 L 4.6712 8.6102 121.2004 52.8860 44.9221 176.3086 74 K 4.4221 8.4216 121.8049 55.8162 33.1333 177.3537 75 E 3.8296 8.6837 126.7080 59.4448 29.5346 177.9522 76 N 4.8427 7.8808 111.6607 52.8275 38.9578 174.5721 77 D 4.5278 7.7037 118.3325 53.8467 42.0061 176.6648 78 S 4.5063 8.2383 118.1756 57.7493 65.3873 174.9568 79 I 2.7840 8.0458 122.4461 64.0642 37.5684 178.0166 80 E 3.8495 7.8840 118.8583 59.4169 29.3778 179.4603 81 R 3.8802 7.8260 117.8715 59.1119 30.0965 178.8180 82 I 3.5747 7.7385 119.7926 64.9022 37.1634 178.4892 83 T 3.7264 8.0077 116.2156 66.6372 68.2683 176.5789 84 A 3.9801 7.9007 122.6018 55.2236 18.3472 179.1351 85 Y 3.9158 8.0819 118.1086 60.7442 38.9168 178.1050 86 V 3.3822 8.0017 119.5502 66.0450 31.3345 178.1376 87 I 3.7097 7.5888 118.3919 64.2738 37.0255 177.5118 88 D 4.4082 7.9036 118.0453 57.5542 41.5148 178.0677 89 T 3.8926 7.9727 109.2639 61.8353 68.8115 175.8141 90 A 3.6195 7.7194 122.1413 52.9352 16.8965 177.1288 91 H 4.5173 7.4996 113.5071 56.6828 29.4895 175.5063 92 S 4.6553 8.3003 116.0224 59.8534 64.4357 174.5932 93 R 5.1985 7.4201 116.2714 54.3291 34.0167 175.1468 94 F 4.8405 9.3915 120.5581 55.0624 43.4160 172.6161 95 P 4.8152 0.0000 0.0000 62.8814 32.7207 175.1626 96 V 4.9836 9.1786 123.8328 61.1309 33.9371 174.5267 97 I 4.9651 8.9371 121.2130 59.7909 41.0230 177.3856 98 G 3.8569 8.9749 112.7903 46.9551 0.0000 175.1859 99 E 4.1670 7.3331 124.5151 58.9118 30.3357 174.6285 100 D 4.5281 7.3197 115.5741 52.8575 41.5324 175.6292 101 K 4.1655 8.6515 117.3441 58.6668 32.0721 177.6000 102 D 4.7460 8.1571 117.3642 54.0281 41.2133 176.5732 103 E 4.5344 8.1866 121.7390 53.9728 29.2750 172.8218 104 V 4.3900 7.9496 120.6846 61.6113 32.6415 175.7053 105 L 4.4310 9.4648 127.5211 54.3370 42.6420 176.4421 106 G 4.0679 6.7811 103.9733 46.4669 0.0000 170.7506 107 I 5.1404 8.4383 120.2849 59.3162 40.4353 174.7943 108 L 4.9637 9.2548 129.0981 53.8338 44.3305 174.5816 109 H 5.1695 8.9246 123.0736 54.5170 30.0460 175.6239 110 A 4.0891 9.7495 128.5764 55.4030 18.3943 179.3511 111 K 4.2824 8.0515 112.9221 58.6879 33.3655 178.4659 112 D 4.4513 8.5169 120.7231 56.8286 40.6217 178.1914 113 L 4.3120 8.0391 119.7445 57.3673 41.3320 179.0033 114 L 4.0470 7.5277 118.1211 56.8105 41.5740 178.9507 115 K 4.2003 7.7229 117.5359 57.5843 32.7335 176.3672 116 Y 5.5097 7.6873 117.0069 55.5048 37.6262 176.1161 *118 F 4.9218 8.2727 122.0092 56.7870 41.7745 175.3135 119 N 5.5109 7.7222 115.8556 49.8962 36.9614 173.7432 120 P 4.3943 0.0000 0.0000 65.8877 32.1873 179.1593 121 E 3.9548 8.2997 115.8721 58.7411 29.5103 177.9535 122 Q 4.4794 7.9001 116.9471 55.2485 29.1506 175.4890 123 F 2.3850 7.6871 121.1506 58.7250 39.6117 174.5656 124 H 4.1875 7.2307 125.8394 54.1720 31.1750 173.0907 125 L 3.5105 7.6576 129.7048 57.7695 42.0640 179.4695 126 K 3.9803 7.6438 116.1680 59.1684 32.0955 178.3733 127 S 4.2328 7.6981 114.6840 60.3431 62.7511 174.7805 128 I 4.4626 7.4419 110.7083 59.8486 38.5072 175.3663 129 L 4.1911 7.8626 124.2244 55.4857 42.5810 176.1678 130 R 4.8046 8.8933 125.4222 53.6876 32.7368 174.1077 131 P 4.7023 0.0000 0.0000 62.9037 32.0987 175.7675 132 A 4.1442 8.4202 124.8783 51.5461 19.8033 176.8264 133 V 4.0859 7.8928 121.5995 61.7544 33.2685 174.5410 134 F 5.4663 8.6875 125.8529 56.0683 41.2979 175.3589 135 V 4.7270 8.8425 114.9902 59.0993 36.3289 173.1652 136 P 5.0913 0.0000 0.0000 61.6334 32.8149 177.1315 137 E 3.9608 8.8848 119.7772 58.9968 29.5857 178.9931 138 G 3.8173 7.8467 105.4273 45.6720 0.0000 173.8702 139 K 4.0066 7.6338 123.3582 55.9053 32.9489 176.2597 140 S 4.5901 8.4243 121.1128 58.2911 64.9869 175.5161 141 L 3.8891 8.4395 125.1237 57.9389 41.2899 180.0699 142 T 4.2007 7.7863 109.2948 64.8884 68.7017 176.3033 143 A 3.9639 8.1849 123.7969 54.5943 18.4202 179.2947 144 L 3.6259 8.0026 118.9598 58.1595 42.1631 178.9535 145 L 4.2972 8.5788 120.6105 58.0818 42.0164 178.8743 146 K 4.0038 8.0917 119.4885 59.6620 32.1032 178.7067 147 E 3.9661 8.3219 118.9080 59.3114 29.3206 179.2823 148 F 4.5427 8.5542 118.2786 60.8933 38.7851 177.9953 149 R 3.9002 8.0553 116.4170 59.0842 29.9129 178.8325 150 E 4.1191 8.3736 118.4235 59.5855 29.4454 178.8694 151 Q 4.2542 8.2234 114.6143 55.5710 29.0509 176.1273 152 R 3.6095 7.3772 118.0518 56.9446 28.4930 175.7367 153 N 4.8038 7.8770 113.9810 53.2201 40.5369 173.7742 154 H 4.2741 8.3130 117.4232 55.4766 31.1960 172.8050 *156 A 4.4477 7.8575 120.1707 52.0047 20.4787 175.8820 157 I 4.5501 8.4270 120.4964 59.8479 39.4864 175.2236 158 V 4.6098 8.9023 127.7435 62.1045 32.7703 174.5394 159 I 5.0552 8.8131 129.0892 59.5433 40.2023 175.7488 160 D 4.5956 9.1285 126.7733 52.1949 40.6566 176.6693 161 E 4.0692 8.2425 114.7284 57.5289 29.3177 176.6593 162 Y 4.6828 8.5451 116.3492 57.6410 39.3012 176.4528 163 G 3.9794 8.2899 108.2332 45.0486 0.0000 174.4842 164 G 3.8913 8.0654 108.5495 44.9449 0.0000 172.9056 165 T 4.5894 8.9955 117.4940 63.4066 69.0491 176.2098 166 S 4.5744 9.5738 123.0586 58.1440 64.6487 174.6889 167 G 4.2725 6.9373 106.4315 45.9413 0.0000 170.4346 168 L 5.3922 8.1740 121.5339 54.2578 44.0744 176.5969 169 V 4.7600 8.8708 118.9201 60.3624 34.4405 174.5868 170 T 4.7882 8.4177 112.3528 59.5498 72.0103 174.3629 171 F 4.0389 8.7042 126.0085 61.9196 39.1354 177.7376 172 E 3.8095 8.1313 115.7696 59.3133 29.0716 178.6739 173 D 4.4716 8.0270 119.1165 56.9566 40.6708 178.3826 174 I 3.7932 7.4661 112.5116 62.6483 38.1236 177.1840 175 I 3.9159 7.1659 112.7640 60.9197 37.9120 176.0793 176 E 4.1671 7.3743 125.4991 57.2457 29.6194 176.5447 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 21 S 8.33 4.44 0.00 4.00 3.63 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 22 N 8.96 4.29 0.00 2.72 2.66 0.00 0.00 6.59 7.08 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 23 A 8.45 4.86 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 24 S 8.88 4.68 0.00 3.81 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 25 A 8.60 4.06 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 26 E 8.23 3.97 0.00 2.03 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 2.41 2.42 0.00 27 D 7.96 4.35 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.63 3.58 2.26 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 1.16 0.00 0.00 0.95 0.00 0.00 29 L 8.38 4.00 0.00 1.95 1.74 0.94 0.74 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 30 N 8.34 4.28 0.00 2.90 2.89 0.00 0.00 6.72 7.27 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 31 L 8.08 3.95 0.00 1.90 1.90 0.94 0.74 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 32 L 8.40 4.23 0.00 1.93 1.93 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.74 4.03 0.00 2.00 2.01 0.00 3.16 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 34 Q 8.71 4.55 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 35 A 7.78 3.80 1.11 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 0.00 0.00 36 H 8.09 3.90 0.00 3.21 3.44 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.09 3.83 0.00 2.18 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 2.45 2.29 0.00 38 Q 7.61 4.19 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 39 E 7.87 3.77 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 40 V 7.66 3.65 1.74 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 0.85 0.00 0.00 0.83 0.00 0.00 41 F 6.92 4.87 0.00 3.14 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.59 4.79 0.00 2.96 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 43 A 8.54 3.81 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 44 D 8.11 4.32 0.00 2.83 2.73 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 45 T 8.45 3.78 4.43 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 0.73 0.00 0.00 46 L 8.14 4.00 0.00 2.02 1.89 1.14 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.00 4.02 0.00 1.89 1.68 0.91 0.77 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 48 R 7.85 3.85 0.00 1.98 1.94 0.00 3.04 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 49 L 8.11 3.90 0.00 1.74 1.61 0.28 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.31 4.01 0.00 2.02 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 2.58 0.00 51 K 8.08 3.93 0.00 1.97 1.91 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 52 V 7.78 3.56 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 0.98 0.00 0.00 0.83 0.00 0.00 53 L 7.77 4.04 0.00 1.94 1.74 0.94 0.93 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 54 D 8.40 4.51 0.00 2.89 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 55 F 8.71 4.16 0.00 3.22 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 56 S 7.97 4.32 0.00 4.11 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 57 D 7.74 4.54 0.00 2.70 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 58 L 7.01 4.62 0.00 1.43 1.34 0.78 0.56 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 59 E 9.14 5.06 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 60 V 8.65 3.54 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 0.96 0.00 0.00 0.94 0.00 0.00 61 R 7.87 3.90 0.00 1.82 2.00 0.00 3.19 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 62 D 8.22 4.46 0.00 2.68 2.67 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 63 A 7.70 4.63 1.22 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 *65 I 7.37 3.98 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.91 0.00 0.00 66 T 8.45 4.31 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 1.23 0.00 0.00 67 R 8.79 4.09 0.00 1.91 2.01 0.00 3.36 0.00 0.00 3.55 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 68 S 8.39 4.32 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.71 4.31 0.00 1.92 1.92 0.00 3.21 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 *71 N 8.12 4.70 0.00 2.95 3.32 0.00 0.00 7.01 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 72 V 8.46 4.93 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 0.81 0.00 0.00 0.95 0.00 0.00 73 L 8.61 4.67 0.00 1.59 1.48 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.42 4.42 0.00 1.64 1.69 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.32 7.81 75 E 8.68 3.83 0.00 2.16 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 2.34 2.34 0.00 76 N 7.88 4.84 0.00 2.73 2.80 0.00 0.00 6.84 8.06 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 77 D 7.70 4.53 0.00 2.80 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 78 S 8.24 4.51 0.00 4.18 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.05 2.78 0.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.72 0.00 0.00 80 E 7.88 3.85 0.00 2.03 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 2.35 2.39 0.00 81 R 7.83 3.88 0.00 1.91 1.92 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 82 I 7.74 3.57 1.83 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 1.45 0.71 0.77 0.00 0.00 83 T 8.01 3.73 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 84 A 7.90 3.98 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 85 Y 8.08 3.92 0.00 3.12 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 86 V 8.00 3.38 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 1.05 0.00 0.00 0.34 0.00 0.00 87 I 7.59 3.71 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.88 0.00 0.00 88 D 7.90 4.41 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.97 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 0.62 0.00 0.00 90 A 7.72 3.62 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.50 4.52 0.00 2.29 2.68 0.00 5.65 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 92 S 8.30 4.66 0.00 3.67 3.84 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 93 R 7.42 5.20 0.00 1.44 1.64 0.00 2.97 0.00 0.00 2.92 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.37 0.00 94 F 9.39 4.84 0.00 2.91 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 95 P 0.00 4.82 0.00 2.15 2.02 0.00 3.87 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 2.16 2.11 0.00 96 V 9.18 4.98 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 1.03 0.00 0.00 1.06 0.00 0.00 97 I 8.94 4.97 2.09 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 1.32 0.77 0.96 0.00 0.00 98 G 8.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.33 4.17 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 100 D 7.32 4.53 0.00 2.90 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 0.00 101 K 8.65 4.17 0.00 1.81 1.95 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.49 7.81 102 D 8.16 4.75 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.19 4.53 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 104 V 7.95 4.39 2.36 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 0.97 0.00 0.00 1.10 0.00 0.00 105 L 9.46 4.43 0.00 1.67 1.74 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 106 G 6.78 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.44 5.14 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 1.10 1.09 1.01 0.00 0.00 108 L 9.25 4.96 0.00 1.82 1.67 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 109 H 8.92 5.17 0.00 3.37 3.26 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 0.00 110 A 9.75 4.09 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.05 4.28 0.00 1.97 2.10 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.49 7.81 112 D 8.52 4.45 0.00 2.93 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 0.00 113 L 8.04 4.31 0.00 1.89 1.74 0.86 0.61 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 0.00 114 L 7.53 4.05 0.00 1.66 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.72 4.20 0.00 1.38 1.47 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.52 7.81 116 Y 7.69 5.51 0.00 3.19 2.90 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 *118 F 8.27 4.92 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 7.72 5.51 0.00 3.18 3.03 0.00 0.00 7.22 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 0.00 120 P 0.00 4.39 0.00 2.18 2.09 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 121 E 8.30 3.95 0.00 2.13 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 0.00 2.41 2.32 0.00 122 Q 7.90 4.48 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 123 F 7.69 2.39 0.00 2.51 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 0.00 124 H 7.23 4.19 0.00 3.13 3.03 0.00 5.85 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.66 3.51 0.00 1.45 1.48 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 126 K 7.64 3.98 0.00 1.47 1.76 0.00 1.80 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 1.37 1.39 7.81 127 S 7.70 4.23 0.00 4.08 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.44 4.46 1.96 0.00 0.00 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 1.41 0.79 1.02 0.00 0.00 129 L 7.86 4.19 0.00 1.84 1.61 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.89 4.80 0.00 1.91 1.80 0.00 2.93 0.00 0.00 3.06 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 131 P 0.00 4.70 0.00 2.09 2.08 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 132 A 8.42 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.89 4.09 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 0.87 0.00 0.00 0.92 0.00 0.00 134 F 8.69 5.47 0.00 2.98 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 0.00 135 V 8.84 4.73 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 0.69 0.00 0.00 0.93 0.00 0.00 136 P 0.00 5.09 0.00 2.16 2.14 0.00 3.58 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 2.04 1.94 0.00 137 E 8.88 3.96 0.00 2.02 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 2.40 2.29 0.00 138 G 7.85 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 0.00 139 K 7.63 4.01 0.00 1.71 1.72 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 140 S 8.42 4.59 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.44 3.89 0.00 0.85 1.15 0.59 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 142 T 7.79 4.20 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 1.43 0.00 0.00 143 A 8.18 3.96 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 0.00 144 L 8.00 3.63 0.00 1.63 1.76 0.25 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.58 4.30 0.00 2.10 2.07 1.22 0.40 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 0.00 146 K 8.09 4.00 0.00 1.93 1.95 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 147 E 8.32 3.97 0.00 2.01 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 0.00 2.29 2.38 0.00 148 F 8.55 4.54 0.00 3.31 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 0.00 149 R 8.06 3.90 0.00 2.00 2.01 0.00 3.32 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 150 E 8.37 4.12 0.00 2.02 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 2.53 0.00 151 Q 8.22 4.25 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 152 R 7.38 3.61 0.00 1.85 1.91 0.00 3.23 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 153 N 7.88 4.80 0.00 2.81 3.20 0.00 0.00 6.81 7.85 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 0.00 154 H 8.31 4.27 0.00 2.99 3.05 0.00 5.90 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 *156 A 7.86 4.45 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 0.00 157 I 8.43 4.55 1.73 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 0.88 0.81 1.13 0.00 0.00 158 V 8.90 4.61 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 0.85 0.00 0.00 0.96 0.00 0.00 159 I 8.81 5.06 1.90 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 1.51 1.33 0.94 0.00 0.00 160 D 9.13 4.60 0.00 2.81 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 0.00 161 E 8.24 4.07 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 162 Y 8.55 4.68 0.00 3.04 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 0.00 163 G 8.29 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 0.00 0.00 0.00 164 G 8.07 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 0.00 165 T 9.00 4.59 4.43 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 1.31 0.00 0.00 166 S 9.57 4.57 0.00 3.85 3.96 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 0.00 167 G 6.94 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 0.00 0.00 0.00 0.00 168 L 8.17 5.39 0.00 1.73 1.62 0.89 0.63 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 0.00 169 V 8.87 4.76 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 0.83 0.00 0.00 1.05 0.00 0.00 170 T 8.42 4.79 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 171 F 8.70 4.04 0.00 2.21 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 0.00 172 E 8.13 3.81 0.00 1.94 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 2.41 2.51 0.00 173 D 8.03 4.47 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 7.47 3.79 2.12 0.00 0.00 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 1.98 0.62 1.04 0.00 0.00 175 I 7.17 3.92 1.54 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.37 0.08 0.00 0.00 176 E 7.37 4.17 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.