NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4311 8.3349 115.4125 57.8523 65.0969 173.8002 2 M 4.3659 7.8484 119.4330 53.0218 33.5367 173.6353 3 M 4.5884 9.1970 123.6568 53.8298 34.9811 175.1759 4 Q 4.7477 8.3835 120.4775 54.1315 32.0586 174.4996 5 C 4.8120 8.3874 119.5416 57.6829 34.0824 173.7036 6 G 3.7545 8.3519 114.9364 46.9632 0.0000 173.4935 7 K 4.3020 7.5639 120.0206 54.2380 33.5198 175.9781 8 C 4.5945 8.0505 122.5131 57.4076 33.8994 173.4214 9 D 4.4089 8.7603 127.3620 56.5254 40.7967 176.7521 10 R 4.6613 7.3789 115.0221 53.8967 33.6199 174.4443 11 W 4.7688 8.4530 119.6995 55.8534 30.8745 178.0325 12 V 3.8368 8.5836 116.1601 64.3894 31.3497 178.5721 13 H 4.1984 8.2940 115.5274 58.9602 28.4414 177.6770 14 S 4.0772 8.1103 113.3914 61.1883 62.3787 175.6250 15 K 4.1322 7.5083 121.4248 59.5985 32.0283 178.4118 16 C 4.2861 8.0154 116.1521 61.0471 28.6344 173.8508 17 E 4.8056 7.9550 118.7305 54.3422 31.7068 175.0317 18 N 5.0477 8.3752 118.3751 51.0712 40.6440 173.1818 19 L 4.6946 8.0394 120.4947 53.0724 44.5463 176.7636 20 S 4.3117 8.2987 118.0618 58.2499 64.4715 175.0393 21 D 4.4047 8.6025 126.9169 57.3023 40.5287 178.7999 22 E 3.9269 8.0967 119.4282 59.6787 29.7990 178.7066 23 M 4.0300 7.9578 118.2844 58.3785 32.0881 178.0110 24 Y 3.8999 8.1043 119.8331 60.6793 39.0334 177.8869 25 E 4.0157 8.3925 119.6021 59.3343 29.1062 179.4660 26 I 3.6156 7.4752 119.5743 64.3543 36.9876 178.5744 27 L 3.6043 7.3483 118.4584 57.7966 41.4960 178.8943 28 S 4.1095 7.5978 114.0012 61.0808 62.9192 174.8335 29 N 4.7479 7.7823 115.0822 52.6937 38.4433 175.2330 30 L 4.1855 7.0653 119.1940 54.6936 41.3848 175.6523 31 P 4.3616 0.0000 0.0000 62.2497 32.5528 177.4575 32 E 3.8568 8.8647 122.7843 59.5421 29.5425 179.3440 33 S 3.8812 7.6313 113.4206 60.9339 63.3897 176.5820 34 V 3.3879 7.4273 120.1086 65.2548 31.3741 177.4046 35 A 4.1015 7.6814 120.4712 53.6480 18.3462 177.4095 36 Y 4.5406 6.3834 114.8496 56.1192 40.9895 174.3038 37 T 4.6117 8.4277 120.7022 61.9522 71.6817 173.3939 38 C 4.4411 8.8086 122.6275 60.5588 29.4763 174.2764 39 V 4.3676 7.5132 117.3747 60.7439 33.3235 173.8195 40 N 4.7493 8.5762 124.7843 52.2881 39.7525 173.4401 41 C 4.8218 8.3124 124.9896 57.6631 32.9771 174.4614 42 T 4.1248 8.3260 115.6025 63.7270 69.1521 176.6330 43 E 4.2662 8.1274 121.5801 59.4251 29.8175 178.4043 44 R 4.0570 7.5092 117.7280 58.5667 30.2901 176.6731 45 H 4.8936 7.7327 116.8777 54.0154 32.4983 172.6747 46 V 4.4668 7.9320 124.9451 59.7680 34.2179 174.5923 47 D 4.8103 8.5829 122.3198 53.8345 42.9136 174.0988 48 G 4.1083 7.8885 113.6045 45.3261 0.0000 176.0945 49 G 4.0049 8.6710 117.9940 43.6817 0.0000 173.0155 50 S 4.1464 8.5743 113.0064 60.5360 63.1900 174.6249 51 G 3.9230 8.0432 109.4169 44.0235 0.0000 173.3276 52 G 4.6504 7.5800 115.0059 47.0926 0.0000 173.9786 53 S 4.0666 7.6259 119.2870 58.8222 63.6840 175.5044 54 G 3.8373 8.0189 105.8279 44.1714 0.0000 172.6362 55 G 3.7208 8.5860 106.6630 47.5833 0.0000 174.1536 56 S 4.6521 7.8694 112.2555 57.0498 65.9377 174.9180 57 G 3.6739 8.2554 109.0138 44.7697 0.0000 171.6920 58 G 4.4010 9.1698 111.8326 45.3520 0.0000 173.8709 59 S 4.7291 7.5458 114.2629 55.8190 66.0986 173.3104 60 A 4.7274 8.3733 125.7175 50.9372 20.6835 176.7328 61 T 4.5096 8.2753 114.0561 61.8923 68.5483 175.1106 62 T 4.0893 7.9014 110.1269 64.2068 69.3979 174.7314 63 K 4.4692 7.8494 121.3138 55.3311 33.4345 176.2182 64 R 4.5883 8.5438 120.4288 56.0220 31.9496 175.2966 65 V 4.8722 7.6679 120.2976 61.2633 33.8537 174.4132 66 L 5.3761 9.2475 126.8553 53.1323 45.8946 174.5883 67 Y 4.5302 9.3371 123.4432 56.5678 40.8170 174.8322 68 V 4.9344 7.1639 119.0258 58.4363 35.3369 174.7777 69 G 4.0825 8.5139 112.0505 44.9409 0.0000 172.3242 70 G 4.9329 8.9315 111.5801 46.2839 0.0000 174.0154 71 L 4.4455 7.8728 119.0655 52.7925 43.6237 175.9504 72 A 4.3846 7.8250 122.5165 51.4329 19.2492 178.5400 73 E 3.9421 8.5507 121.0908 59.2278 29.8525 177.7314 74 E 4.2708 7.8953 115.4423 56.5018 29.5664 176.4087 75 V 3.7944 7.1233 113.1989 60.4854 32.8281 176.0000 76 D 4.8574 8.0840 123.4067 52.2188 44.7701 177.1778 77 D 4.3907 8.3786 119.5668 56.6804 39.0366 178.8057 78 K 4.0114 7.9478 119.7065 59.1384 32.1203 179.2844 79 V 3.6172 7.5984 118.1124 66.0273 31.4807 177.7626 80 L 4.1816 7.8258 119.6722 58.2659 41.8432 178.4443 81 H 4.0827 8.4300 118.0608 59.3349 29.7309 177.2163 82 A 4.1635 8.2442 120.6239 54.4595 18.2313 178.8806 83 A 4.1990 7.8688 118.4577 54.0296 19.3059 178.6732 84 F 5.0595 8.0277 113.9986 57.7818 39.4565 177.6921 85 I 4.0711 7.8058 120.0755 63.5357 37.5712 175.9023 86 P 4.2445 0.0000 0.0000 65.1659 31.1030 178.0090 87 F 4.5193 7.8210 115.3832 59.8711 39.3199 175.3948 88 G 4.3375 7.5297 102.9811 45.8312 0.0000 171.3242 89 D 4.6974 8.2140 118.9314 53.7648 41.7121 175.5759 90 I 4.4656 8.0486 124.1072 59.7128 39.3287 175.1543 91 T 4.3381 8.1593 115.6538 63.4174 68.9389 174.3004 92 D 4.8824 7.6826 121.0587 51.8107 46.0633 173.4695 93 I 4.7159 8.3250 121.0920 59.6470 39.7675 174.9137 94 Q 4.6637 8.5853 125.7322 54.0944 31.7634 174.8021 95 I 4.4313 8.1475 123.5232 58.6308 39.7411 173.4633 96 P 4.1916 0.0000 0.0000 62.7426 30.1994 175.1918 97 L 4.5433 7.8535 124.2286 52.7987 44.3275 175.6954 98 D 4.5657 8.1997 125.2233 53.6110 41.9237 177.2351 99 Y 4.2039 8.3706 120.6984 61.1351 38.3532 177.5697 100 E 4.1202 8.4210 119.8249 59.1601 29.7796 177.4756 101 T 4.1872 7.9532 107.7807 61.6089 69.7876 174.7925 102 E 4.3512 8.2375 119.8368 56.8935 27.8135 174.3483 103 K 4.5796 7.2391 115.4588 54.8275 34.7672 175.3060 104 H 4.7203 8.3733 120.4662 54.9425 31.2601 174.9869 105 R 4.1418 8.0170 123.0645 55.9963 30.6486 177.0548 106 G 4.0396 7.9572 106.8493 45.7172 0.0000 172.5880 107 F 5.3013 6.9940 111.8397 55.3318 41.0476 173.0047 108 A 4.5218 8.7730 121.6178 51.5609 23.2753 174.7310 109 F 5.2075 8.7601 117.2784 55.6712 42.7910 175.3561 110 V 4.3768 8.9528 121.1787 59.8288 34.3010 173.8681 111 E 4.8954 8.5163 124.7421 54.6416 31.4150 174.2071 112 F 4.9644 8.9112 126.4610 55.6327 40.2816 176.0424 113 E 4.0931 9.0766 124.8187 58.2162 29.9694 177.4343 114 L 4.7952 7.8625 118.0736 52.8333 44.8107 177.3183 115 A 4.1876 8.5389 124.9331 54.7701 18.3626 179.8687 116 E 3.9080 8.0666 116.2138 59.8143 29.7330 179.0169 117 D 4.2876 8.0252 119.1893 56.5779 40.7575 178.4099 118 A 3.2305 7.3149 119.8712 54.9594 18.2732 179.6274 119 A 3.8916 7.7015 118.9967 54.9068 18.2273 179.7918 120 A 4.8460 7.8629 120.7657 54.8235 18.4686 179.7069 121 A 3.0943 7.9284 119.5966 55.0773 18.1213 179.9920 122 I 3.7266 7.2206 117.9057 64.1026 37.4733 177.7745 123 D 4.5382 7.9914 119.2388 55.0191 39.3415 177.8415 124 N 4.6601 7.7038 116.9505 54.2978 40.1396 175.5480 125 M 4.9183 7.7897 118.3243 54.6909 33.2504 176.2183 126 N 4.4317 8.3450 119.5508 56.4979 40.5440 174.0638 127 E 5.7002 8.2363 116.7708 53.5973 30.3458 174.5710 128 S 4.8428 8.1233 117.1693 56.0263 67.6793 173.0745 129 E 4.9111 8.6791 121.7597 55.0750 30.3900 175.0681 130 L 4.6325 9.0046 129.0443 54.2578 44.7450 176.1221 131 F 3.2559 10.0049 125.6819 58.9490 37.8137 175.3532 132 G 4.0535 8.8607 105.3916 44.8612 0.0000 173.4517 133 R 4.8469 7.9309 117.7652 54.2885 34.7984 174.6800 134 T 4.7956 8.4463 117.9016 63.2607 70.0532 173.9243 135 I 5.7313 8.8742 119.1496 58.4589 41.4702 174.4616 136 R 5.9463 8.3913 120.9946 53.7367 33.7291 174.8231 137 V 5.6761 8.8381 115.6450 58.7734 35.2341 174.3922 138 N 5.0479 8.5714 120.5348 51.3541 41.2678 173.1773 139 L 4.3287 8.3667 119.2934 54.5460 42.3593 177.5790 *140 A 4.2175 9.0481 126.2676 52.5409 18.9025 176.1270 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 1 S 8.33 4.43 0.00 3.99 4.06 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 2 M 7.85 4.37 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 3 M 9.20 4.59 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 4 Q 8.38 4.75 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 5 C 8.39 4.81 0.00 2.84 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 6 G 8.35 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.56 4.30 0.00 1.70 1.67 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.37 7.81 8 C 8.05 4.59 0.00 2.57 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.76 4.41 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.38 4.66 0.00 1.70 1.79 0.00 3.18 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 11 W 8.45 4.77 0.00 3.42 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 12 V 8.58 3.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 13 H 8.29 4.20 0.00 3.31 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.11 4.08 0.00 3.81 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 15 K 7.51 4.13 0.00 1.87 1.86 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 16 C 8.02 4.29 0.00 3.02 2.98 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 7.96 4.81 0.00 2.06 1.84 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 2.24 2.22 0.00 18 N 8.38 5.05 0.00 2.72 2.70 0.00 0.00 5.89 7.77 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 19 L 8.04 4.69 0.00 1.63 1.64 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.30 4.31 0.00 3.94 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 21 D 8.60 4.40 0.00 2.73 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 22 E 8.10 3.93 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 2.40 0.00 23 M 7.96 4.03 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 24 Y 8.10 3.90 0.00 3.20 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 25 E 8.39 4.02 0.00 2.13 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 2.41 2.62 0.00 26 I 7.48 3.62 1.65 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 0.67 0.00 0.00 27 L 7.35 3.60 0.00 1.54 1.58 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.60 4.11 0.00 3.64 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 7.78 4.75 0.00 2.89 2.80 0.00 0.00 7.20 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.07 4.19 0.00 1.68 1.78 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.36 0.00 2.07 1.94 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 32 E 8.86 3.86 0.00 1.86 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 2.38 2.39 0.00 33 S 7.63 3.88 0.00 3.87 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 34 V 7.43 3.39 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 0.77 0.00 0.00 0.81 0.00 0.00 35 A 7.68 4.10 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 36 Y 6.38 4.54 0.00 2.86 2.31 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 37 T 8.43 4.61 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 38 C 8.81 4.44 0.00 2.98 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 39 V 7.51 4.37 2.08 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 0.79 0.00 0.00 0.94 0.00 0.00 40 N 8.58 4.75 0.00 2.72 2.69 0.00 0.00 6.83 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 41 C 8.31 4.82 0.00 2.95 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 42 T 8.33 4.12 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 43 E 8.13 4.27 0.00 1.97 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 2.30 2.32 0.00 44 R 7.51 4.06 0.00 1.97 1.98 0.00 3.07 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 45 H 7.73 4.89 0.00 3.18 3.13 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.93 4.47 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 0.74 0.00 0.00 0.91 0.00 0.00 47 D 8.58 4.81 0.00 2.67 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 48 G 7.89 4.11 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 0.00 49 G 8.67 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 0.00 0.00 0.00 50 S 8.57 4.15 0.00 3.99 4.01 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 51 G 8.04 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 G 7.58 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.63 4.07 0.00 3.87 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 54 G 8.02 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 0.00 0.00 0.00 55 G 8.59 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 0.00 0.00 0.00 56 S 7.87 4.65 0.00 3.94 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 57 G 8.26 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 0.00 0.00 0.00 58 G 9.17 4.40 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 59 S 7.55 4.73 0.00 3.82 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 60 A 8.37 4.73 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 61 T 8.28 4.51 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 62 T 7.90 4.09 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 1.21 0.00 0.00 63 K 7.85 4.47 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.45 7.81 64 R 8.54 4.59 0.00 1.81 2.28 0.00 3.41 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 65 V 7.67 4.87 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 1.07 0.00 0.00 0.99 0.00 0.00 66 L 9.25 5.38 0.00 1.53 1.66 0.88 0.73 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 67 Y 9.34 4.53 0.00 3.11 2.98 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 68 V 7.16 4.93 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 0.24 0.00 0.00 0.60 0.00 0.00 69 G 8.51 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 70 G 8.93 4.93 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 0.00 0.00 0.00 71 L 7.87 4.45 0.00 1.74 1.54 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.83 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.55 3.94 0.00 1.87 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 2.25 2.43 0.00 74 E 7.90 4.27 0.00 1.92 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 2.30 2.31 0.00 75 V 7.12 3.79 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 -0.15 0.00 0.00 0.81 0.00 0.00 76 D 8.08 4.86 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.38 4.39 0.00 2.83 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 78 K 7.95 4.01 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.47 7.81 79 V 7.60 3.62 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 1.23 0.00 0.00 0.98 0.00 0.00 80 L 7.83 4.18 0.00 1.79 1.67 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.43 4.08 0.00 3.51 3.42 0.00 5.83 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 82 A 8.24 4.16 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 83 A 7.87 4.20 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 84 F 8.03 5.06 0.00 3.20 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 85 I 7.81 4.07 2.17 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 1.58 1.28 1.01 0.00 0.00 86 P 0.00 4.24 0.00 1.46 1.87 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.07 0.00 87 F 7.82 4.52 0.00 3.30 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 88 G 7.53 4.34 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 0.00 89 D 8.21 4.70 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.05 4.47 1.29 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.14 0.69 0.00 0.00 91 T 8.16 4.34 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 1.22 0.00 0.00 92 D 7.68 4.88 0.00 2.55 2.52 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 93 I 8.32 4.72 1.84 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 1.38 0.99 0.85 0.00 0.00 94 Q 8.59 4.66 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 95 I 8.15 4.43 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.33 0.64 0.00 0.00 96 P 0.00 4.19 0.00 1.98 2.08 0.00 3.45 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 97 L 7.85 4.54 0.00 1.54 1.33 0.86 1.19 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 98 D 8.20 4.57 0.00 2.70 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 99 Y 8.37 4.20 0.00 2.97 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 0.00 100 E 8.42 4.12 0.00 1.98 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 2.31 2.32 0.00 101 T 7.95 4.19 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 102 E 8.24 4.35 0.00 2.02 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 2.23 2.43 0.00 103 K 7.24 4.58 0.00 1.47 1.63 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.43 7.81 104 H 8.37 4.72 0.00 2.92 3.05 0.00 5.73 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.02 4.14 0.00 1.41 1.94 0.00 3.20 0.00 0.00 3.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 106 G 7.96 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 0.00 107 F 6.99 5.30 0.00 2.71 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 0.00 108 A 8.77 4.52 1.19 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 0.00 0.00 109 F 8.76 5.21 0.00 2.92 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 0.00 110 V 8.95 4.38 1.72 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 0.63 0.00 0.00 0.50 0.00 0.00 111 E 8.52 4.90 0.00 2.12 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 2.24 2.27 0.00 112 F 8.91 4.96 0.00 3.16 3.13 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 0.00 0.00 0.00 113 E 9.08 4.09 0.00 2.00 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 2.37 2.32 0.00 114 L 7.86 4.80 0.00 1.98 1.58 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.54 4.19 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 0.00 116 E 8.07 3.91 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 117 D 8.03 4.29 0.00 2.60 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 0.00 118 A 7.31 3.23 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 0.00 119 A 7.70 3.89 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 0.00 120 A 7.86 4.85 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 0.00 121 A 7.93 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.22 3.73 1.82 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 1.57 0.56 0.96 0.00 0.00 123 D 7.99 4.54 0.00 2.90 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 0.00 124 N 7.70 4.66 0.00 2.90 3.16 0.00 0.00 7.06 8.83 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 0.00 125 M 7.79 4.92 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 126 N 8.34 4.43 0.00 3.03 2.82 0.00 0.00 6.94 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 0.00 127 E 8.24 5.70 0.00 1.84 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 2.22 2.15 0.00 128 S 8.12 4.84 0.00 3.87 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 0.00 129 E 8.68 4.91 0.00 2.02 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 2.27 2.32 0.00 130 L 9.00 4.63 0.00 1.69 1.53 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 131 F 10.00 3.26 0.00 3.23 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 0.00 132 G 8.86 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 0.00 133 R 7.93 4.85 0.00 1.90 1.88 0.00 3.16 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 134 T 8.45 4.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 135 I 8.87 5.73 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.47 1.01 0.00 0.00 136 R 8.39 5.95 0.00 1.92 1.91 0.00 3.40 0.00 0.00 3.32 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 137 V 8.84 5.68 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 0.97 0.00 0.00 0.99 0.00 0.00 138 N 8.57 5.05 0.00 2.72 2.89 0.00 0.00 6.24 6.47 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 0.00 139 L 8.37 4.33 0.00 1.57 1.68 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *140 A 9.05 4.22 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 * Residues marked with a * may have inaccurate shift predictions.