NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1654 8.3149 121.7950 56.7259 33.4412 174.1150 7 L 3.9695 8.3384 118.7623 54.7220 40.8784 172.4003 8 P 4.5382 0.0000 0.0000 61.5367 32.9927 173.6916 9 P 4.4286 0.0000 0.0000 64.6436 31.6083 177.1666 10 G 3.9147 9.0404 110.7924 45.0825 0.0000 173.0299 11 W 5.0797 7.6497 119.2987 56.5151 29.9811 175.7192 12 E 4.9070 9.3698 123.7656 54.6406 33.1876 173.8127 13 K 4.2572 8.7698 127.4817 56.3944 33.3205 175.7826 14 R 4.6288 8.7874 125.8179 54.6283 34.9948 173.3734 15 M 5.3370 8.0860 117.9781 54.0265 35.2970 174.9186 16 S 4.5359 8.9787 121.8815 58.5079 63.6950 174.6509 17 R 4.0258 8.6763 122.6973 57.3740 30.5364 176.5590 18 S 3.9929 8.6610 114.2750 58.6142 60.9128 171.3658 19 S 4.5900 7.5321 109.7833 57.2954 65.2993 174.0367 20 G 3.9736 8.4481 110.6684 45.1678 0.0000 173.5043 21 R 4.0677 8.1285 119.5753 57.0942 31.0271 175.8807 22 V 4.7112 8.6400 124.6371 62.7534 32.9347 174.3779 23 Y 4.9401 8.6920 124.1972 56.7237 42.0586 172.2674 24 Y 5.1534 9.4358 116.7509 56.2985 41.0875 175.1754 25 F 5.5540 9.5508 125.3877 56.4225 43.4281 173.0067 26 N 4.4161 7.1995 123.7659 51.6346 39.7938 174.9232 27 H 4.1501 8.7300 124.7416 58.0076 28.6347 176.7757 28 I 4.0723 8.0804 119.0449 62.1849 38.0901 176.5822 29 T 4.1259 7.4423 108.0379 60.6057 70.0117 175.2314 30 N 3.9331 8.0315 118.9237 53.7049 36.9204 173.5399 31 A 4.5187 6.9288 120.7686 51.9726 19.7731 177.5163 32 S 5.6024 8.4860 115.5683 57.1622 66.8625 173.4391 33 Q 4.4893 9.1815 119.8229 55.2168 31.4825 175.5393 34 W 4.6458 8.7805 120.7756 59.6592 29.6335 177.3818 35 E 4.2267 8.2106 117.1964 55.6404 29.3497 176.5575 36 R 2.5100 8.1995 123.5618 54.9852 30.5538 175.5410 37 P 3.5587 0.0000 0.0000 64.3275 31.1686 176.1817 38 S 4.4411 7.1114 113.0557 57.2039 65.7932 174.8672 39 G 3.3461 8.4343 111.6824 47.5430 0.0000 174.5826 *45 G 3.5834 7.6890 113.9731 44.4989 0.0000 171.5993 46 K 4.5399 8.4148 127.1195 54.2756 33.7853 175.3558 47 N 4.9496 8.1286 121.6496 52.4176 40.2036 174.1034 48 G 3.8744 8.8868 107.5477 46.6763 0.0000 174.6713 49 Q 3.9423 8.3115 122.9961 56.3977 29.6294 177.4364 50 G 3.9099 7.8775 105.8293 45.1138 0.0000 171.9604 51 E 4.7512 8.3725 116.3614 53.2914 32.1116 173.8236 52 P 4.3830 0.0000 0.0000 62.8995 31.8146 176.5715 53 A 4.2600 8.5141 122.8628 54.4059 18.9432 177.6322 54 R 4.9919 7.5803 114.5369 55.2794 33.2107 174.5600 55 V 4.4674 8.0245 117.5004 59.4612 36.7431 174.0791 56 R 5.0014 8.2185 122.3868 54.0486 32.4804 174.4567 57 C 5.3267 8.8452 122.0985 58.3675 33.1163 172.9846 58 S 5.5640 8.9534 117.1883 57.5343 66.2733 172.6414 59 H 5.6696 9.2651 115.6452 54.7964 32.6054 172.1390 60 L 4.5489 9.2496 121.3744 53.2918 44.6245 174.6117 61 L 5.1505 8.7884 129.0221 53.2851 44.7942 175.0958 62 V 4.6551 8.6340 125.8827 61.1833 33.7349 175.0185 63 K 4.7252 8.8976 128.0409 55.9503 33.8207 175.5833 64 H 5.1114 8.8280 117.1158 53.6506 31.6756 174.3427 65 S 4.1981 8.7467 113.4448 60.9805 62.6174 175.0739 66 Q 4.5039 8.1354 118.0574 55.6088 29.2158 175.7838 67 S 4.3848 7.8188 116.3672 58.0701 63.2496 175.5891 68 R 4.0359 8.3559 121.2815 58.7177 29.0987 177.5556 69 R 4.5019 7.4942 118.0595 54.5588 31.7218 173.1584 70 P 4.6226 0.0000 0.0000 61.0953 29.6237 176.3624 71 S 4.7221 7.3010 110.5708 58.4007 65.4090 173.0728 72 S 4.6237 8.1567 119.5061 56.8900 65.7711 175.4384 73 W 4.2641 8.6537 117.2452 59.3008 28.0357 177.8489 74 R 3.3897 6.4675 118.2311 58.4362 29.2768 176.9946 75 Q 4.5156 7.5845 113.6263 54.5572 31.7326 174.4079 76 E 3.8262 9.0859 122.9348 58.6301 29.5985 176.9244 77 K 4.5656 7.6865 118.7046 54.2629 34.1302 175.1692 78 I 4.2719 8.6403 128.2683 60.6541 37.1332 176.0080 79 T 4.5247 8.2841 114.6389 61.0268 70.5769 174.8071 80 R 4.1598 7.7528 119.7232 56.4943 30.2187 176.4872 81 T 4.6438 9.6977 112.5358 60.7632 71.4522 176.0888 82 K 3.8888 8.3575 119.4795 59.6738 31.9925 179.3951 83 E 3.9916 8.1302 118.3506 59.5075 29.4128 179.1468 84 E 4.3686 8.3950 119.2819 58.7581 29.3938 179.2892 85 A 3.9851 8.0361 120.9704 55.0393 18.4463 179.4481 86 L 3.9089 8.3196 119.4825 58.1152 41.9700 178.9954 87 E 3.9565 8.3156 117.7302 59.4482 29.4590 179.2528 88 L 3.6239 7.7475 119.9695 57.2443 41.5888 179.5116 89 I 3.8268 7.9498 120.0408 64.5849 37.1016 178.2049 90 N 4.4166 8.5963 117.8501 56.2659 38.3115 177.7423 91 G 3.4251 7.8116 107.1524 47.9130 0.0000 175.4794 92 Y 4.3273 7.7203 119.1877 60.7385 37.7827 178.4534 93 I 3.7711 8.0447 120.9023 64.5297 37.2720 178.1386 94 Q 3.9817 8.1609 120.2593 59.2113 28.7236 178.3517 95 K 4.0085 8.1711 120.5713 59.5644 31.7284 178.9268 96 I 4.2740 8.0047 121.6023 63.8602 36.8744 178.5291 97 K 4.1857 8.3897 118.6800 58.8343 31.9330 179.0677 98 S 4.4128 8.0066 114.1722 59.3141 63.3528 175.3154 99 G 4.0398 7.7332 108.9635 44.9312 0.0000 173.9902 100 E 4.1142 7.9660 120.5280 58.4000 29.9517 176.4345 101 E 4.8572 8.1348 116.7955 53.7749 33.9450 173.9622 102 D 5.1451 7.8518 120.5056 51.3838 43.1493 177.1620 103 F 3.9062 8.7910 122.7036 61.7513 39.3993 177.1860 104 E 4.1301 8.5239 117.7145 59.7071 29.2950 179.5275 105 S 4.1561 8.3792 114.1178 61.4021 63.0963 176.5127 106 L 4.1082 7.8503 121.9320 57.2902 41.4268 179.2602 107 A 3.8118 7.8398 120.8990 55.1261 18.1575 179.8559 108 S 4.2154 8.0332 113.7089 61.6512 62.6235 176.8996 109 Q 3.8441 7.4895 119.1699 57.6544 28.7696 176.9023 110 F 4.7989 7.8328 114.7199 56.8654 40.0668 175.5578 111 S 4.4160 7.9692 117.2912 58.1977 62.5384 174.2734 112 D 4.1093 9.2702 127.3120 55.2033 41.1809 176.3961 113 A 4.6065 7.5246 123.6487 50.9983 19.9704 178.8278 114 S 4.2055 8.7688 116.4777 61.1716 62.9453 176.4984 115 S 4.2685 8.1052 115.9236 59.7865 62.5712 175.6993 116 A 3.9464 8.0211 125.9946 55.0672 17.8609 179.7228 117 K 3.7636 7.8090 116.3455 58.8170 32.7485 178.0851 118 A 4.6459 7.5671 121.5002 51.3442 20.1615 176.3957 119 R 3.7840 8.3022 116.4465 57.8297 28.4553 178.1828 120 G 4.1539 8.4464 106.7894 46.4341 0.0000 174.0266 121 D 4.8524 7.8189 119.3230 54.1606 41.3859 175.8204 122 L 4.3982 8.8326 125.7398 53.9623 42.5456 177.6609 123 G 3.8160 8.6946 108.5486 44.3881 0.0000 172.1532 124 A 4.8327 8.2988 119.8150 51.5088 20.1229 177.0191 125 F 5.0312 8.6732 114.4944 56.1562 42.1782 173.0926 126 S 5.4340 8.7518 114.7547 56.3284 66.5889 174.0168 127 R 4.1319 8.1985 119.9127 57.8625 30.1113 177.7343 128 G 3.9895 11.2573 109.7680 45.3831 0.0000 173.9936 129 Q 4.2435 7.6587 118.3951 57.2713 29.8853 175.3826 130 M 4.4114 7.6065 115.2120 53.1235 34.4409 175.9757 131 Q 4.1158 8.2343 118.8362 55.7289 30.5905 177.3490 132 K 3.9506 8.7740 125.5792 59.6450 32.3624 176.9595 133 P 4.3497 0.0000 0.0000 65.5600 31.3078 178.4379 134 F 3.9509 8.2491 119.0407 61.0245 39.4124 176.6338 135 E 4.3936 8.7634 119.1950 59.6842 29.3424 178.3620 136 D 4.4666 8.5008 117.6097 57.4851 41.3002 178.6091 137 A 4.0473 7.9408 120.7599 55.2110 17.8888 179.7097 138 S 3.9231 8.0487 113.6995 61.7268 62.7884 176.3986 139 F 4.2726 8.2877 116.6940 58.1643 39.0611 176.5770 140 A 4.4848 7.5873 119.4311 51.3788 19.8188 177.1332 141 L 4.3071 6.8184 116.4261 53.9807 42.9392 176.6985 142 R 4.5690 8.6191 120.6808 54.3807 32.0955 176.2728 143 T 3.9526 8.1909 116.5154 65.6207 68.6857 174.9904 144 G 3.9501 8.9270 115.0704 45.1123 0.0000 173.4180 145 E 4.4274 8.0132 119.4345 55.9935 31.1562 175.1716 146 M 5.1959 8.4167 121.7126 53.7609 34.8541 175.5865 147 S 4.3647 9.1787 121.1009 58.0208 64.8941 173.1946 148 G 4.6147 8.2487 108.8458 43.2451 0.0000 170.9898 149 P 4.4519 0.0000 0.0000 62.5473 32.1737 176.2319 150 V 4.3992 8.5013 124.5136 61.1083 34.0410 174.0336 151 F 5.3666 9.1503 127.0898 56.6069 40.3661 175.2811 152 T 4.8704 9.0916 112.8853 59.9383 72.1997 174.3523 153 D 4.4533 9.0418 120.2134 57.4355 40.9133 179.5263 154 S 4.2079 8.0794 114.8302 59.2627 63.9510 175.4328 155 G 3.9798 6.3789 109.3606 45.9016 0.0000 171.4776 156 I 4.7487 8.0785 124.6978 59.7341 40.0434 174.7511 157 H 5.6233 9.4475 123.3799 54.0553 32.9915 172.7560 158 I 4.9329 8.6756 120.2915 59.7504 40.1559 174.7880 159 I 5.0025 8.8772 127.9296 59.3096 40.4276 174.3931 160 L 4.7384 8.4639 127.7312 53.0355 44.7201 175.1072 161 R 4.5984 8.5937 128.1233 56.2469 30.6658 176.5484 162 T 4.3963 8.9677 116.2470 61.9196 70.9476 174.5160 163 E 4.1653 7.6923 126.8555 56.7895 30.6510 174.6379 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 6 K 8.31 4.17 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 7 L 8.34 3.97 0.00 2.04 1.92 1.19 0.74 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 8 P 0.00 4.54 0.00 2.50 2.10 0.00 3.45 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 1.98 2.08 0.00 9 P 0.00 4.43 0.00 2.07 2.04 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 2.08 2.15 0.00 10 G 9.04 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 7.65 5.08 0.00 3.42 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 12 E 9.37 4.91 0.00 2.18 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 2.27 2.34 0.00 13 K 8.77 4.26 0.00 1.83 1.64 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.04 0.71 7.81 14 R 8.79 4.63 0.00 0.67 1.39 0.00 3.21 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 15 M 8.09 5.34 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 16 S 8.98 4.54 0.00 3.91 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 17 R 8.68 4.03 0.00 1.88 1.85 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 18 S 8.66 3.99 0.00 3.97 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 19 S 7.53 4.59 0.00 3.81 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 20 G 8.45 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 0.00 0.00 0.00 21 R 8.13 4.07 0.00 2.12 2.59 0.00 3.22 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.73 0.00 22 V 8.64 4.71 2.16 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 0.73 0.00 0.00 0.99 0.00 0.00 23 Y 8.69 4.94 0.00 3.03 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 24 Y 9.44 5.15 0.00 3.03 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 25 F 9.55 5.55 0.00 3.09 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 26 N 7.20 4.42 0.00 1.44 1.52 0.00 0.00 7.18 8.75 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 27 H 8.73 4.15 0.00 3.01 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.08 4.07 1.83 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 1.31 0.43 0.90 0.00 0.00 29 T 7.44 4.13 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 1.11 0.00 0.00 30 N 8.03 3.93 0.00 3.01 3.08 0.00 0.00 6.75 8.69 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 31 A 6.93 4.52 1.10 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 0.00 0.00 32 S 8.49 5.60 0.00 3.72 3.72 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 33 Q 9.18 4.49 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 34 W 8.78 4.65 0.00 3.41 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.21 4.23 0.00 1.92 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 2.34 2.42 0.00 36 R 8.20 2.51 0.00 1.49 1.47 0.00 3.11 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.83 0.00 37 P 0.00 3.56 0.00 0.92 0.49 0.00 2.71 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.00 38 S 7.11 4.44 0.00 3.69 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.43 3.35 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 0.00 *45 G 7.69 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.41 4.54 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 47 N 8.13 4.95 0.00 2.80 2.71 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.89 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 0.00 0.00 0.00 0.00 49 Q 8.31 3.94 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 50 G 7.88 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 0.00 0.00 0.00 51 E 8.37 4.75 0.00 2.20 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 2.18 2.29 0.00 52 P 0.00 4.38 0.00 2.36 2.09 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 53 A 8.51 4.26 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 54 R 7.58 4.99 0.00 1.81 1.74 0.00 3.19 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.75 0.00 55 V 8.02 4.47 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 -0.42 0.00 0.00 56 R 8.22 5.00 0.00 1.82 1.76 0.00 3.08 0.00 0.00 3.38 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 57 C 8.85 5.33 0.00 3.22 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 58 S 8.95 5.56 0.00 3.62 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.27 5.67 0.00 3.64 3.71 0.00 5.20 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.25 4.55 0.00 1.18 1.37 0.37 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.79 5.15 0.00 1.85 1.49 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.63 4.66 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 0.97 0.00 0.00 1.10 0.00 0.00 63 K 8.90 4.73 0.00 1.65 1.65 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.62 1.34 7.81 64 H 8.83 5.11 0.00 3.37 3.51 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.75 4.20 0.00 4.02 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 66 Q 8.14 4.50 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 67 S 7.82 4.38 0.00 3.88 3.80 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 68 R 8.36 4.04 0.00 1.92 2.10 0.00 3.08 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 69 R 7.49 4.50 0.00 1.78 1.82 0.00 3.27 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 70 P 0.00 4.62 0.00 2.25 2.21 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 71 S 7.30 4.72 0.00 3.83 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 72 S 8.16 4.62 0.00 4.11 3.80 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 73 W 8.65 4.26 0.00 3.58 3.27 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 74 R 6.47 3.39 0.00 1.34 1.52 0.00 2.87 0.00 0.00 3.05 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.58 4.52 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 76 E 9.09 3.83 0.00 1.94 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 2.29 2.32 0.00 77 K 7.69 4.57 0.00 1.67 1.63 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.47 7.81 78 I 8.64 4.27 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.51 0.87 0.00 0.00 79 T 8.28 4.52 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 1.20 0.00 0.00 80 R 7.75 4.16 0.00 2.11 2.10 0.00 3.09 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 81 T 9.70 4.64 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 1.27 0.00 0.00 82 K 8.36 3.89 0.00 1.75 1.88 0.00 1.63 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.18 1.06 7.81 83 E 8.13 3.99 0.00 2.05 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 2.39 2.46 0.00 84 E 8.39 4.37 0.00 2.19 2.06 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 2.31 2.17 0.00 85 A 8.04 3.99 1.45 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 0.00 0.00 86 L 8.32 3.91 0.00 1.98 1.92 1.03 1.33 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 87 E 8.32 3.96 0.00 2.20 2.38 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 2.24 2.26 0.00 88 L 7.75 3.62 0.00 1.82 1.46 0.88 0.63 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 89 I 7.95 3.83 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.79 0.91 0.00 0.00 90 N 8.60 4.42 0.00 2.79 2.84 0.00 0.00 6.97 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 91 G 7.81 3.43 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 0.00 92 Y 7.72 4.33 0.00 3.14 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 93 I 8.04 3.77 2.06 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 1.49 0.94 0.96 0.00 0.00 94 Q 8.16 3.98 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 95 K 8.17 4.01 0.00 1.99 2.04 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 96 I 8.00 4.27 2.13 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 1.64 1.99 1.05 0.00 0.00 97 K 8.39 4.19 0.00 1.76 1.95 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.66 7.81 98 S 8.01 4.41 0.00 4.08 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 0.00 99 G 7.73 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.97 4.11 0.00 2.00 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 2.36 2.31 0.00 101 E 8.13 4.86 0.00 2.01 1.83 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 2.28 2.45 0.00 102 D 7.85 5.15 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.79 3.91 0.00 3.17 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 0.00 104 E 8.52 4.13 0.00 2.38 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 2.47 2.56 0.00 105 S 8.38 4.16 0.00 4.07 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 0.00 106 L 7.85 4.11 0.00 1.49 1.47 0.97 1.01 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 0.00 107 A 7.84 3.81 1.17 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 0.00 0.00 108 S 8.03 4.22 0.00 3.95 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 0.00 109 Q 7.49 3.84 0.00 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 110 F 7.83 4.80 0.00 2.67 2.97 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 0.00 111 S 7.97 4.42 0.00 3.84 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 0.00 112 D 9.27 4.11 0.00 2.74 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 0.00 113 A 7.52 4.61 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 0.00 114 S 8.77 4.21 0.00 4.02 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 0.00 115 S 8.11 4.27 0.00 4.12 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 0.00 116 A 8.02 3.95 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 0.00 117 K 7.81 3.76 0.00 1.75 1.66 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.35 7.81 118 A 7.57 4.65 1.28 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 0.00 0.00 119 R 8.30 3.78 0.00 2.01 2.05 0.00 3.15 0.00 0.00 3.09 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 120 G 8.45 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.82 4.85 0.00 2.70 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.83 4.40 0.00 1.92 1.65 0.75 0.75 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 0.00 123 G 8.69 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 0.00 124 A 8.30 4.83 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 0.00 125 F 8.67 5.03 0.00 3.15 3.15 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 0.00 0.00 0.00 0.00 126 S 8.75 5.43 0.00 3.86 3.85 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 0.00 127 R 8.20 4.13 0.00 1.53 1.70 0.00 2.84 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.50 0.00 128 G 11.26 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 7.66 4.24 0.00 2.13 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 130 M 7.61 4.41 0.00 1.72 2.04 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.97 0.00 131 Q 8.23 4.12 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 132 K 8.77 3.95 0.00 1.89 1.89 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.55 1.69 7.81 133 P 0.00 4.35 0.00 2.38 2.18 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 134 F 8.25 3.95 0.00 3.02 3.15 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 0.00 0.00 0.00 0.00 135 E 8.76 4.39 0.00 2.32 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 0.00 2.46 2.70 0.00 136 D 8.50 4.47 0.00 2.87 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 0.00 137 A 7.94 4.05 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 S 8.05 3.92 0.00 4.20 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.29 4.27 0.00 3.03 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 0.00 140 A 7.59 4.48 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 0.00 141 L 6.82 4.31 0.00 1.74 1.54 0.79 0.79 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 0.00 142 R 8.62 4.57 0.00 2.04 1.82 0.00 3.15 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 143 T 8.19 3.95 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 0.00 144 G 8.93 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 0.00 0.00 0.00 145 E 8.01 4.43 0.00 2.05 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 2.37 0.00 146 M 8.42 5.20 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 147 S 9.18 4.36 0.00 3.96 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 0.00 148 G 8.25 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.45 0.00 1.95 1.83 0.00 3.70 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 2.08 2.08 0.00 150 V 8.50 4.40 2.06 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 0.95 0.00 0.00 0.91 0.00 0.00 151 F 9.15 5.37 0.00 2.98 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 0.00 152 T 9.09 4.87 4.55 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 1.38 0.00 0.00 153 D 9.04 4.45 0.00 2.88 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 0.00 154 S 8.08 4.21 0.00 3.98 3.94 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 0.00 0.00 0.00 155 G 6.38 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 0.00 156 I 8.08 4.75 1.76 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.84 0.37 0.00 0.00 157 H 9.45 5.62 0.00 3.13 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.68 4.93 2.01 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 1.31 0.85 1.18 0.00 0.00 159 I 8.88 5.00 1.67 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.83 0.74 0.00 0.00 160 L 8.46 4.74 0.00 0.53 0.46 0.72 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.59 4.60 0.00 1.82 1.82 0.00 2.95 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 162 T 8.97 4.40 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 1.13 0.00 0.00 163 E 7.69 4.17 0.00 1.93 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 0.00 2.26 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.