NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.0776 8.1849 122.4372 54.4564 43.9846 177.4825 3 W 4.5973 7.2522 117.5900 56.4544 29.4602 174.3635 4 K 4.5290 9.8071 121.7194 56.2675 33.9316 176.3232 5 K 4.7013 8.0671 117.2187 54.6725 34.6987 175.2152 6 T 4.3130 8.0638 115.3191 61.0827 68.5542 173.6006 7 F 4.6968 7.1202 120.3679 55.4022 40.3547 173.4379 8 T 4.7109 7.8998 110.3184 59.0772 72.9631 174.7278 9 L 3.9927 8.5711 122.3724 57.9057 41.7336 179.3878 10 E 3.9219 8.1601 118.7721 59.5450 29.6109 178.5838 11 N 4.3770 8.3530 116.4876 56.1778 38.5591 177.5240 12 L 3.8819 8.0468 120.5319 57.8731 41.4862 179.3186 13 N 4.3592 8.0857 115.4351 56.0714 38.8291 177.0125 14 Q 4.0648 8.0351 121.2383 59.0880 28.9478 178.0255 15 L 3.9649 7.7721 120.3544 58.0955 42.2283 177.9263 16 C 4.3823 7.7768 113.9959 59.2992 28.5801 174.1230 17 S 4.1801 7.0609 115.4285 58.7071 63.4939 173.0573 18 N 4.1222 8.6798 117.3783 54.1987 37.3150 172.3864 19 S 4.4932 7.7890 110.8325 56.3397 66.4881 174.2992 20 A 4.0195 8.6023 120.3835 55.3738 17.9150 179.9727 21 V 3.4864 7.6298 116.7815 66.3901 31.7124 178.5667 22 S 4.1872 7.9738 113.3192 61.4579 62.7721 175.5790 23 H 4.2263 8.0980 121.4173 58.7592 29.6816 176.3004 24 L 4.3075 7.8240 118.1819 54.2894 41.6837 177.5044 25 G 3.8816 7.7516 107.0643 45.8299 0.0000 173.8984 26 I 4.2157 7.4632 120.2762 60.9943 37.9155 175.3177 27 E 4.7458 9.0844 126.6926 54.2697 32.9440 174.4523 28 I 4.2329 9.1566 129.0448 61.7029 36.7718 175.7680 29 S 4.6990 8.6994 122.5806 59.4772 64.6045 173.9951 30 A 4.7326 7.8885 119.6885 51.6517 22.1057 174.8823 31 F 4.5940 8.2886 113.0301 55.8158 40.7848 174.4510 32 G 3.4025 7.3090 109.2463 44.2244 0.0000 172.4689 33 E 4.2597 8.9176 118.2703 59.1584 29.6694 177.3871 34 D 4.5065 7.7698 117.1320 51.6335 40.1394 174.5032 35 W 5.8768 7.9076 114.1937 57.5536 31.6212 172.7634 36 I 5.2606 8.9367 120.0422 59.9110 41.3728 173.2772 37 E 5.9800 10.3467 126.4680 53.7344 33.8706 174.6465 38 A 5.2391 8.4596 121.9716 50.8396 23.1265 175.6317 39 T 5.2437 8.8871 112.1169 58.5634 72.2284 171.3398 *41 P 4.3025 0.0000 0.0000 63.2846 32.6545 176.8680 42 V 4.2902 8.4596 122.1213 61.5701 31.6517 174.1166 43 D 4.6678 8.6594 126.8461 52.0041 42.1228 175.8180 44 H 4.2422 8.9008 113.5511 58.7019 28.3270 176.6137 45 R 3.9543 8.3360 119.4879 58.1525 30.6975 176.7666 46 T 4.4559 7.8624 107.9954 60.5613 68.8236 172.8092 *48 Q 4.2006 7.5429 120.2643 55.3647 30.2496 175.1581 49 P 4.2578 0.0000 0.0000 65.5226 31.1318 176.8139 50 F 4.6850 7.1641 112.9075 56.7966 37.9224 176.4253 51 G 3.9200 8.0297 107.5385 45.9671 0.0000 173.9639 52 V 4.6641 6.9043 110.9205 58.4552 35.2747 175.1994 53 L 3.8914 8.9809 125.4055 56.1361 42.7847 176.2095 54 H 4.1597 9.3459 127.0206 55.6411 30.2986 176.0362 55 G 3.5366 8.9083 113.8412 47.9013 0.0000 175.0926 56 G 3.7326 8.0843 107.3734 47.7392 0.0000 175.8667 57 V 3.6840 7.8957 120.0229 65.6342 31.5881 178.1717 58 S 4.1677 7.9774 115.2246 61.4919 62.5642 176.7640 59 V 3.6442 7.7535 120.4098 65.7309 31.2430 177.9299 60 A 3.9973 7.9167 120.6751 54.9601 18.1863 179.3905 61 L 3.8473 8.0698 118.5955 58.1428 42.1939 178.9489 62 A 3.9829 8.0198 120.7446 55.3544 18.3267 179.2923 63 E 3.9053 8.5883 118.1318 59.5301 29.6446 178.9609 64 T 3.7693 7.8720 115.9390 66.8308 68.5075 176.4584 65 I 3.7156 7.8815 120.4864 63.8089 37.9128 178.3163 66 G 3.2669 8.0177 106.8820 47.6825 0.0000 176.0359 67 S 3.9299 8.0271 117.7708 60.9124 62.8655 176.4890 68 L 3.7025 7.7849 122.7908 57.9649 41.6163 178.6753 69 A 3.8017 7.4701 119.5548 55.0584 18.4721 179.3625 70 G 3.9702 7.2679 104.3892 48.2020 0.0000 175.9946 71 S 4.2197 8.0877 116.9636 60.9328 62.9013 176.0451 72 L 4.2481 7.8664 121.1702 56.2350 41.0907 177.6710 73 C 5.0362 7.9499 116.1308 58.5508 28.9019 172.9849 74 L 4.9134 7.0464 119.5979 52.8372 44.4344 176.3715 75 E 4.4148 8.4075 120.4362 55.2346 30.6353 176.1951 76 E 3.9956 8.3750 119.7384 58.0864 30.0149 177.9984 77 G 4.0680 9.7426 109.8538 44.9435 0.0000 172.9408 78 K 5.1592 7.3887 116.4200 55.2123 36.4312 175.2677 79 T 4.7108 8.6646 116.5321 61.2952 71.6361 172.2617 80 V 5.0410 8.3118 115.2351 59.4408 34.8514 175.7415 81 V 4.3811 8.5118 122.6786 60.7841 34.6424 174.8389 82 G 3.9089 8.7981 115.4304 46.8134 0.0000 172.9143 83 L 4.6046 9.0036 127.1448 56.7321 42.4665 176.6605 84 D 4.7366 7.7976 115.6545 52.9104 42.6501 173.3352 85 I 5.1168 8.0061 118.0378 60.0114 41.1041 173.0103 86 N 5.2825 9.0169 123.8354 51.6732 41.1803 172.7889 87 A 5.0294 8.2814 118.9700 51.1183 22.5107 175.2493 88 N 4.8862 9.0668 118.2727 51.7126 41.6500 173.4586 89 H 4.9316 8.7231 121.0583 55.1117 29.1890 174.9869 90 L 4.5951 8.8805 124.4731 56.1806 42.8016 177.2470 91 R 4.5589 7.5562 111.7299 54.2620 31.6452 172.7317 92 P 4.4915 0.0000 0.0000 62.6777 32.3194 175.8520 93 V 4.4295 8.1664 118.7880 61.2974 34.0892 175.7449 94 R 4.6976 8.4662 121.0790 55.5564 30.4130 174.4896 95 S 4.4513 7.9977 111.6074 58.7320 66.1394 175.8601 96 G 4.0789 8.8479 106.8942 45.8200 0.0000 172.5717 97 K 4.8221 8.3185 119.5234 55.1500 36.0224 176.0142 98 V 4.5571 8.0511 113.0577 60.3763 34.6966 174.7841 99 T 5.0504 9.0191 119.0346 61.8441 71.9349 172.7701 100 A 5.0878 9.1401 129.1242 50.2709 21.5163 175.1385 101 R 5.1578 9.0674 123.8883 54.6815 32.4381 174.4761 102 A 5.4996 9.2574 129.2160 50.8394 21.0820 175.7776 103 T 5.2471 9.4444 113.0715 59.1429 72.5120 171.7029 104 P 3.5585 0.0000 0.0000 62.8936 31.7385 175.6154 105 I 4.1445 7.9499 123.2904 62.8867 38.9844 176.0600 106 N 4.5064 7.3597 118.5161 52.5464 42.3710 173.0976 107 L 4.7775 8.6306 126.6583 53.1994 43.0882 176.0927 108 G 4.0490 8.6026 114.0361 43.4876 0.0000 172.2541 109 R 4.0924 8.5146 117.3490 58.3907 30.2615 177.7077 110 N 4.9644 8.1576 113.1405 53.0718 41.0905 174.0130 111 I 5.2385 7.4754 117.7741 59.5428 41.8985 174.1926 112 Q 5.0572 9.4223 124.6637 54.0630 32.4907 174.6087 113 V 4.9027 8.8986 122.8307 60.9899 34.3578 174.2170 114 W 5.1088 9.5567 127.8713 54.9178 32.6850 174.2032 115 Q 5.0646 9.3011 124.9068 54.6746 30.9325 174.3261 116 I 5.1558 9.1101 126.8085 59.9028 40.7748 173.8402 117 D 5.3813 8.8770 127.4055 52.5036 43.5638 175.4965 118 I 4.9813 8.8349 124.1779 59.6586 39.9044 174.9917 119 R 5.2635 9.0004 125.5192 54.4786 34.3491 175.7740 120 T 4.5336 8.5736 112.5422 60.3438 70.3972 175.4898 121 E 3.9787 8.5681 118.2415 58.7580 28.2498 177.8720 122 E 4.3903 8.1627 118.4288 55.9096 29.5733 176.4563 123 N 4.3859 8.1819 115.2183 54.0730 36.7668 173.8716 124 K 4.3900 7.2123 117.0077 54.5456 33.4147 176.0472 125 L 4.4200 8.5198 125.9907 55.4461 42.4178 175.8463 126 C 4.7974 9.0126 120.9295 58.6643 32.2439 173.1473 127 C 5.2190 7.7313 118.5470 58.4186 34.7748 172.6990 128 V 4.9562 8.5718 118.5444 59.7558 34.8849 174.6343 129 S 5.0917 9.1208 118.1555 56.8101 66.6746 172.3938 130 R 5.1780 8.9426 124.1919 54.4354 33.4486 173.5778 131 L 5.2801 9.2861 127.8550 53.5859 45.4556 174.8396 132 T 5.1418 8.8908 122.5274 61.9024 70.9854 173.2273 133 L 5.2290 9.3280 126.6434 52.9486 45.4084 175.3676 134 S 4.9966 9.0144 117.9401 57.0838 64.3114 172.9318 135 V 4.7150 8.6223 128.3475 61.7952 32.1419 174.8682 136 I 4.5466 8.6703 122.4215 59.0635 40.3787 174.1672 137 N 4.8511 8.6223 123.8735 52.5128 39.2725 174.7911 138 L 4.0696 9.4020 125.9893 56.9235 42.0720 177.5175 139 L 4.0085 8.4083 125.8943 55.7298 42.1862 174.9973 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 L 8.18 4.08 0.00 1.22 1.01 0.72 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 W 7.25 4.60 0.00 3.57 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 4 K 9.81 4.53 0.00 1.84 1.91 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 K 8.07 4.70 0.00 1.84 1.79 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.67 7.81 6 T 8.06 4.31 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 1.21 0.00 0.00 7 F 7.12 4.70 0.00 2.87 2.80 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 8 T 7.90 4.71 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 1.17 0.00 0.00 9 L 8.57 3.99 0.00 1.79 1.81 1.08 0.93 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 10 E 8.16 3.92 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 11 N 8.35 4.38 0.00 2.95 2.83 0.00 0.00 7.10 6.26 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 12 L 8.05 3.88 0.00 1.72 1.54 0.27 0.22 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 13 N 8.09 4.36 0.00 2.68 2.86 0.00 0.00 7.02 7.26 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 14 Q 8.04 4.06 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 15 L 7.77 3.96 0.00 1.68 1.82 0.88 0.79 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 16 C 7.78 4.38 0.00 2.95 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 17 S 7.06 4.18 0.00 4.00 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 18 N 8.68 4.12 0.00 2.77 2.83 0.00 0.00 6.79 7.63 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 19 S 7.79 4.49 0.00 4.00 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 20 A 8.60 4.02 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 21 V 7.63 3.49 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 1.01 0.00 0.00 0.89 0.00 0.00 22 S 7.97 4.19 0.00 4.08 4.09 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 0.00 0.00 0.00 23 H 8.10 4.23 0.00 3.27 3.53 0.00 5.94 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.82 4.31 0.00 1.84 1.65 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.75 3.88 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 0.00 0.00 0.00 26 I 7.46 4.22 2.00 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 0.55 0.93 0.00 0.00 27 E 9.08 4.75 0.00 1.98 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 2.20 2.26 0.00 28 I 9.16 4.23 1.82 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 1.37 0.80 0.79 0.00 0.00 29 S 8.70 4.70 0.00 3.94 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 30 A 7.89 4.73 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 31 F 8.29 4.59 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.31 3.40 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 0.00 33 E 8.92 4.26 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 2.35 2.34 0.00 34 D 7.77 4.51 0.00 2.63 2.55 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 35 W 7.91 5.88 0.00 3.64 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 36 I 8.94 5.26 1.78 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.78 0.94 0.00 0.00 37 E 10.35 5.98 0.00 2.13 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 2.39 2.67 0.00 38 A 8.46 5.24 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 39 T 8.89 5.24 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 1.24 0.00 0.00 *41 P 0.00 4.30 0.00 2.23 2.12 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 42 V 8.46 4.29 2.17 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 0.77 0.00 0.00 0.92 0.00 0.00 43 D 8.66 4.67 0.00 2.91 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 44 H 8.90 4.24 0.00 3.26 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.34 3.95 0.00 1.81 1.88 0.00 2.96 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 46 T 7.86 4.46 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 1.18 0.00 0.00 *48 Q 7.54 4.20 0.00 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.89 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 49 P 0.00 4.26 0.00 2.25 2.22 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 50 F 7.16 4.68 0.00 3.20 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 51 G 8.03 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 52 V 6.90 4.66 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 0.81 0.00 0.00 0.95 0.00 0.00 53 L 8.98 3.89 0.00 1.57 1.57 0.96 0.63 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 54 H 9.35 4.16 0.00 3.19 3.15 0.00 5.65 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 55 G 8.91 3.54 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 0.00 56 G 8.08 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 57 V 7.90 3.68 2.20 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 1.03 0.00 0.00 0.80 0.00 0.00 58 S 7.98 4.17 0.00 4.17 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 59 V 7.75 3.64 2.28 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 1.10 0.00 0.00 1.03 0.00 0.00 60 A 7.92 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 3.85 0.00 1.78 1.88 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.02 3.98 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 63 E 8.59 3.91 0.00 2.02 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 2.28 2.33 0.00 64 T 7.87 3.77 4.37 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 1.15 0.00 0.00 65 I 7.88 3.72 1.84 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 1.49 1.45 1.00 0.00 0.00 66 G 8.02 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 0.00 0.00 0.00 67 S 8.03 3.93 0.00 3.81 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 68 L 7.78 3.70 0.00 1.68 1.58 0.69 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.47 3.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.27 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 71 S 8.09 4.22 0.00 4.02 4.08 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 72 L 7.87 4.25 0.00 1.88 1.65 -0.47 0.45 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 73 C 7.95 5.04 0.00 3.40 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 74 L 7.05 4.91 0.00 1.74 1.57 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.41 4.41 0.00 2.06 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 2.42 2.36 0.00 76 E 8.38 4.00 0.00 1.97 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 2.33 2.27 0.00 77 G 9.74 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 78 K 7.39 5.16 0.00 1.80 1.68 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.38 7.81 79 T 8.66 4.71 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 80 V 8.31 5.04 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 0.82 0.00 0.00 0.95 0.00 0.00 81 V 8.51 4.38 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 1.05 0.00 0.00 0.94 0.00 0.00 82 G 8.80 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 83 L 9.00 4.60 0.00 1.75 1.75 0.94 1.27 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 84 D 7.80 4.74 0.00 2.77 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 85 I 8.01 5.12 1.89 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 1.42 0.90 1.00 0.00 0.00 86 N 9.02 5.28 0.00 2.84 2.84 0.00 0.00 6.73 7.87 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 87 A 8.28 5.03 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 88 N 9.07 4.89 0.00 2.67 2.69 0.00 0.00 7.03 8.68 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 89 H 8.72 4.93 0.00 3.06 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.88 4.60 0.00 1.50 1.73 0.98 0.81 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 91 R 7.56 4.56 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 92 P 0.00 4.49 0.00 2.23 2.13 0.00 3.72 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 2.00 1.97 0.00 93 V 8.17 4.43 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 1.05 0.00 0.00 0.94 0.00 0.00 94 R 8.47 4.70 0.00 1.91 2.03 0.00 3.30 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 95 S 8.00 4.45 0.00 3.95 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 96 G 8.85 4.08 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 0.00 97 K 8.32 4.82 0.00 1.81 1.73 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.43 7.81 98 V 8.05 4.56 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 0.88 0.00 0.00 0.93 0.00 0.00 99 T 9.02 5.05 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 1.24 0.00 0.00 100 A 9.14 5.09 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 0.00 101 R 9.07 5.16 0.00 2.02 1.80 0.00 2.90 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 102 A 9.26 5.50 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 0.00 103 T 9.44 5.25 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 0.00 104 P 0.00 3.56 0.00 1.48 0.75 0.00 3.77 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 1.73 1.68 0.00 105 I 7.95 4.14 1.93 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 1.07 0.56 0.85 0.00 0.00 106 N 7.36 4.51 0.00 2.64 2.52 0.00 0.00 6.97 6.66 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 0.00 107 L 8.63 4.78 0.00 1.43 1.55 0.78 0.57 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 0.00 108 G 8.60 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 0.00 0.00 0.00 109 R 8.51 4.09 0.00 1.82 2.01 0.00 3.16 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 110 N 8.16 4.96 0.00 2.72 2.82 0.00 0.00 6.90 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 0.00 111 I 7.48 5.24 1.88 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 1.36 1.05 0.94 0.00 0.00 112 Q 9.42 5.06 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 113 V 8.90 4.90 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 1.08 0.00 0.00 0.93 0.00 0.00 114 W 9.56 5.11 0.00 3.30 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 0.00 115 Q 9.30 5.06 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 116 I 9.11 5.16 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.96 0.00 0.00 117 D 8.88 5.38 0.00 2.71 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 0.00 118 I 8.83 4.98 1.89 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 1.25 0.84 0.93 0.00 0.00 119 R 9.00 5.26 0.00 1.68 1.76 0.00 3.07 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 120 T 8.57 4.53 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 0.00 121 E 8.57 3.98 0.00 2.17 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 0.00 2.36 2.33 0.00 122 E 8.16 4.39 0.00 2.05 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 2.29 2.42 0.00 123 N 8.18 4.39 0.00 2.82 2.90 0.00 0.00 6.86 7.63 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 0.00 124 K 7.21 4.39 0.00 1.84 1.71 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 125 L 8.52 4.42 0.00 1.58 1.59 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 126 C 9.01 4.80 0.00 3.16 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 0.00 127 C 7.73 5.22 0.00 3.05 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 0.00 128 V 8.57 4.96 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 0.74 0.00 0.00 0.94 0.00 0.00 129 S 9.12 5.09 0.00 3.87 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 0.00 130 R 8.94 5.18 0.00 1.93 1.73 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 131 L 9.29 5.28 0.00 1.81 1.60 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.89 5.14 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 1.25 0.00 0.00 133 L 9.33 5.23 0.00 1.65 1.60 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 134 S 9.01 5.00 0.00 3.90 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 0.00 135 V 8.62 4.71 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 0.91 0.00 0.00 0.99 0.00 0.00 136 I 8.67 4.55 1.88 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 1.28 0.58 0.92 0.00 0.00 137 N 8.62 4.85 0.00 2.76 2.78 0.00 0.00 7.09 7.78 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 0.00 138 L 9.40 4.07 0.00 1.64 1.70 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 139 L 8.41 4.01 0.00 1.79 2.12 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.