NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3474 8.2893 120.3500 54.1802 34.5188 174.7587 2 T 4.3923 7.4090 115.8471 59.8698 70.7526 173.5590 3 H 4.6490 9.7411 129.5385 59.3976 30.9143 177.3794 4 D 3.8451 8.7192 119.6238 55.6430 42.4038 176.6107 5 N 4.3568 7.5573 117.9190 53.1217 38.2441 175.5069 6 K 4.1129 8.4880 119.6248 58.7068 35.0040 177.3490 7 L 3.3643 8.2796 120.4084 56.4413 40.8150 174.5220 *8 Q 3.5178 7.8312 117.8631 55.2504 25.0110 175.7116 9 V 3.8318 7.4576 113.3195 61.8365 32.6999 178.0189 10 E 4.2024 8.5469 122.9257 55.7038 27.4354 174.1287 11 A 4.6100 8.0988 123.9574 50.1377 20.6671 177.0118 12 I 4.2339 7.9814 116.2840 58.9687 39.7952 174.8853 13 K 3.2492 7.4399 120.9202 56.6355 32.8293 175.6018 14 R 5.1133 8.0381 116.9020 53.3390 33.0383 176.9130 15 G 3.4116 6.9520 107.1609 45.7600 0.0000 170.3225 16 T 5.0102 7.9379 116.0376 61.6678 72.4067 173.3885 17 V 4.5048 8.6544 126.0561 61.1713 34.2768 174.0481 18 I 4.8241 8.8137 129.5281 59.8048 39.2470 174.4165 19 D 5.1129 8.4756 125.7093 52.0594 44.9960 174.3951 20 H 4.3620 8.5567 118.0952 57.1279 28.2665 175.0855 21 I 4.0142 7.9232 120.0537 60.4612 37.6920 176.4007 22 P 3.9537 0.0000 0.0000 63.6837 32.1135 175.5721 23 A 4.0421 7.9340 121.5546 53.7959 17.9495 179.5156 24 Q 3.7107 8.6631 116.3225 57.6360 28.2043 175.7318 25 I 4.1576 8.1778 117.8508 62.8236 37.2985 177.9553 26 G 3.8674 8.1974 107.6412 48.2588 0.0000 175.4817 27 F 4.2828 8.2399 123.0450 60.0648 39.4076 176.9854 28 K 3.7605 8.1478 119.1072 59.6037 32.0093 178.4868 29 L 4.1325 8.2765 119.4618 57.8987 41.6136 179.6069 30 L 3.9770 7.4169 117.6739 58.3007 41.4830 179.0375 31 S 3.9757 7.7119 115.5060 60.6808 62.4178 176.2404 32 L 3.5686 7.8735 123.3686 57.7987 41.6377 178.7937 33 F 4.4793 7.8500 113.5841 56.1084 39.2889 176.0780 34 K 3.9050 8.1622 120.1178 57.5753 29.8643 176.6534 35 L 3.9781 7.7591 117.4501 57.2557 42.1105 178.8532 36 T 4.2442 7.7383 106.6708 62.1315 69.5507 175.4603 37 E 4.3419 7.2856 123.9989 54.5215 27.9005 174.8039 38 T 4.5222 7.2283 113.5293 61.4219 70.6321 172.6815 39 D 4.7699 8.4147 123.0552 54.2597 41.9157 177.1856 40 Q 4.1873 7.3663 117.2762 54.8355 29.8273 175.6749 41 R 3.9658 8.4865 121.0957 57.1614 30.9010 175.2057 42 I 5.0962 8.3995 126.8856 59.6933 40.4897 175.1672 43 T 4.6873 8.7355 114.7867 60.1321 71.7764 172.7369 44 I 4.9765 8.6400 125.8913 59.3127 40.7363 175.0948 45 G 4.1923 8.9770 111.9684 44.4771 0.0000 171.4516 46 L 5.1977 8.4722 124.6650 53.2333 44.8370 176.2199 47 N 4.1712 8.8811 118.8007 54.3181 36.7232 175.0718 48 L 4.1172 8.4146 118.2234 53.5297 42.6831 175.0634 49 P 4.3696 0.0000 0.0000 63.3016 31.5104 176.4421 50 S 4.5849 8.4011 117.6548 55.4021 62.2696 174.0052 51 G 3.8131 8.3754 113.9943 48.2543 0.0000 172.9572 52 E 4.1446 8.0365 115.8637 58.6111 29.6032 177.8922 53 M 4.4996 8.3737 120.1018 54.5105 32.9330 174.9691 54 G 3.9197 7.8649 109.2126 45.6030 0.0000 174.0455 55 R 5.0389 7.6545 117.9273 53.9766 35.3143 174.2818 56 K 4.7356 8.9151 119.8475 56.5549 36.8631 173.6331 57 D 5.4664 8.9867 119.8808 52.7710 45.3145 175.1443 58 L 4.9214 8.3503 119.0220 54.4679 46.1708 173.5323 59 I 4.9652 8.7305 126.8128 59.2831 40.9370 174.3728 60 K 4.8459 9.1939 127.7809 54.8441 34.5864 174.5805 61 I 4.7451 8.5785 129.1294 59.4292 39.7274 174.4419 62 E 4.5547 8.5266 128.2186 55.2935 30.8487 175.4760 63 N 3.9991 8.5138 123.0643 54.2279 36.3761 174.7434 64 T 4.3738 6.8115 112.6667 61.8876 72.6238 173.2931 65 F 4.9179 8.6042 123.7762 54.6220 40.7793 174.7017 66 L 4.5319 8.5271 128.8471 53.8097 42.0043 175.5351 67 S 4.6902 8.9147 121.9011 57.1980 68.3492 175.8633 68 E 3.9278 9.1442 122.3395 57.3317 28.1086 176.5721 69 D 4.3908 9.1040 123.5688 57.7041 39.7812 178.7686 70 Q 3.9573 7.8589 118.6418 58.2393 28.4688 179.0210 71 V 3.6552 7.6179 118.6348 66.1346 31.8874 177.7386 72 D 4.5364 8.0520 118.0572 56.9032 40.4270 178.4768 73 Q 4.0856 7.8225 120.8433 59.0146 29.0239 177.8564 74 L 4.1584 7.5517 118.3823 56.6197 41.2545 178.8329 75 A 3.9786 7.8435 121.3251 55.3373 18.0209 179.3809 76 L 3.8077 7.6205 117.4736 57.3601 42.0659 177.7309 77 Y 4.5466 7.1777 115.0638 58.2273 40.4729 176.0019 78 A 4.8305 8.3014 121.1401 50.1345 18.8184 175.0726 79 P 4.3372 0.0000 0.0000 63.9237 32.1832 177.7100 80 Q 4.4622 7.4250 117.1629 53.7043 27.8880 173.0927 81 A 4.7880 7.9118 125.6763 51.1279 22.7057 174.9438 82 T 4.5869 8.5575 113.0774 60.0921 71.0623 174.1297 83 V 4.4880 8.6188 126.5695 61.9230 33.8283 174.3232 84 N 5.5590 8.6971 122.9473 51.5755 42.3124 174.3092 85 R 5.0630 8.9806 120.6626 55.6224 32.4788 175.5947 86 I 5.0481 8.8837 119.7075 59.7995 40.8545 175.7592 87 D 4.5707 8.8653 126.4687 55.1389 40.6103 176.1391 88 N 4.4030 8.1651 112.1312 53.6026 40.3238 173.7234 89 Y 3.6751 8.5037 117.7777 58.8019 36.8792 170.3232 90 E 4.7176 8.3534 117.8671 54.1876 34.0604 174.3993 91 V 3.9887 8.3416 119.2346 64.0916 31.6241 175.4002 92 V 4.3053 8.8329 126.6964 62.4887 33.3968 176.3910 93 G 4.2386 7.8786 106.1529 44.1572 0.0000 172.0832 94 K 4.8994 8.5282 122.5652 55.0211 34.0536 175.4992 95 S 4.7969 9.0059 123.8476 57.1540 65.3246 173.2515 96 R 4.9569 8.2074 121.5889 53.4565 32.6706 173.5070 97 P 4.4727 0.0000 0.0000 63.1256 31.6215 175.6460 98 S 4.7817 8.4507 118.0695 55.5785 65.4742 173.5846 99 L 3.9558 8.3809 124.3555 54.9586 42.4087 175.6379 100 P 4.7047 0.0000 0.0000 62.5019 33.9564 174.3031 101 E 4.4823 8.7804 114.7928 57.9455 31.3644 176.2014 102 R 5.1412 7.9331 116.7125 54.4440 33.9871 174.7704 103 I 4.6603 8.8876 123.7938 59.8690 40.1782 174.5171 104 D 5.2659 8.9004 126.4934 54.0325 42.9992 176.1511 105 N 4.6273 9.2821 123.7873 53.9759 37.6927 175.3142 106 V 3.9925 8.6919 117.9397 62.4791 31.9181 173.4145 107 L 4.8603 7.6559 123.3271 52.6886 42.3128 173.3089 108 V 4.5588 7.6316 121.9118 60.6792 34.4547 174.8022 109 C 4.6270 8.8255 126.3611 58.9594 31.7632 172.5185 110 P 3.8382 0.0000 0.0000 65.2176 31.1904 175.7632 111 N 4.5190 7.5925 116.5493 53.0946 38.2266 175.1264 112 S 4.1239 8.7492 121.8321 61.2351 62.5605 174.4034 113 N 4.6397 8.2222 115.5404 53.7173 38.7634 174.2903 114 C 4.2819 7.9313 118.9897 59.8226 32.2249 174.2836 115 I 3.7164 8.3464 126.3380 63.5999 37.8410 177.7294 116 S 3.8669 7.8221 113.9933 61.2600 62.6867 175.4077 117 H 4.3357 7.6912 116.8667 58.2111 28.4210 175.9973 118 A 4.5090 7.6469 119.0360 51.8775 19.4019 175.9855 119 E 4.7476 7.5363 114.2072 53.6123 33.3015 174.3543 120 P 4.6370 0.0000 0.0000 62.7313 30.5509 177.0284 121 V 4.4581 7.2292 116.3290 59.7590 34.3848 175.3181 122 S 4.7217 8.5513 118.5795 57.3471 63.6129 174.3825 123 S 4.4666 8.7610 119.7559 59.4255 64.4037 173.3609 124 S 5.0896 8.0897 113.2681 57.6845 65.6568 173.2238 125 F 5.4982 9.5755 125.4678 55.6665 43.0581 173.5847 126 A 5.0198 9.0277 124.4231 50.5426 20.8729 176.0551 127 V 4.5344 8.2999 123.4467 61.7906 33.1022 175.5149 128 R 4.4370 8.8957 127.7646 54.7980 33.4326 173.9274 129 K 4.4680 8.8531 128.7350 55.8916 31.8837 175.5596 130 R 4.0947 9.1335 127.3328 54.3069 28.9628 174.4544 131 A 4.0604 7.6316 126.9798 54.2544 17.4749 174.1230 132 N 4.2199 7.9216 125.4019 53.4037 36.5170 174.5830 133 D 5.0666 8.8313 118.0962 51.4589 42.6682 173.3509 134 I 5.0421 8.2496 118.2289 59.9357 40.1566 174.7441 135 A 5.0769 9.3927 129.4073 50.5026 21.5390 175.6569 136 L 5.1881 8.9418 120.6754 52.9403 44.9680 175.4451 137 K 4.9482 9.1189 126.5384 54.9601 34.1421 175.1593 138 C 3.8488 8.9557 128.5111 58.8665 32.1218 174.0392 139 K 3.5123 8.2060 127.7556 59.9383 31.7931 177.4951 140 Y 4.2651 7.8293 116.6560 60.3459 37.0765 176.3943 141 C 4.2541 7.9840 113.9242 58.9244 30.5629 174.5832 142 E 4.5410 8.1682 117.1455 57.3419 26.3331 173.7130 143 K 4.3313 7.3429 117.3380 55.2701 34.1137 175.1830 144 E 5.0468 8.1592 124.4458 54.7429 30.9991 174.9299 145 F 5.2411 9.1805 124.9255 55.3561 43.9132 174.8891 146 S 4.6072 8.7374 115.4712 58.1873 63.7675 175.1034 147 H 4.2481 8.9586 118.2855 58.5155 27.8708 177.6090 148 N 4.2249 7.1607 117.8134 55.9603 38.5178 177.1071 149 V 3.6779 7.6886 119.7896 65.8186 31.4873 178.3468 150 V 3.4766 7.5075 117.5619 65.6673 31.2690 177.5368 151 L 4.3489 7.8227 113.8311 55.9373 41.0855 176.4880 152 A 4.5037 8.9483 119.0157 51.9850 21.7133 176.5595 153 N 3.8956 7.7389 117.8377 53.1518 41.1821 174.6077 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 M 8.29 4.35 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 T 7.41 4.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 H 9.74 4.65 0.00 3.05 3.19 0.00 5.96 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 4 D 8.72 3.85 0.00 2.83 2.94 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 5 N 7.56 4.36 0.00 2.86 2.73 0.00 0.00 6.84 7.61 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 6 K 8.49 4.11 0.00 1.87 1.94 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.42 7.81 7 L 8.28 3.36 0.00 1.75 1.68 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.83 3.52 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.89 6.70 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 9 V 7.46 3.83 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 0.94 0.00 0.00 0.96 0.00 0.00 10 E 8.55 4.20 0.00 1.95 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 2.32 2.37 0.00 11 A 8.10 4.61 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 12 I 7.98 4.23 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.91 0.00 0.00 13 K 7.44 3.25 0.00 1.32 1.51 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.21 7.81 14 R 8.04 5.11 0.00 1.97 1.67 0.00 3.47 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.73 0.00 15 G 6.95 3.41 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 0.00 16 T 7.94 5.01 4.16 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 1.20 0.00 0.00 17 V 8.65 4.50 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 0.98 0.00 0.00 0.91 0.00 0.00 18 I 8.81 4.82 1.85 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 1.08 0.54 0.88 0.00 0.00 19 D 8.48 5.11 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.56 4.36 0.00 3.27 3.23 0.00 5.97 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 21 I 7.92 4.01 1.98 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 1.30 0.61 0.96 0.00 0.00 22 P 0.00 3.95 0.00 2.07 2.16 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 23 A 7.93 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.66 3.71 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.04 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 25 I 8.18 4.16 1.93 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 1.79 0.62 1.06 0.00 0.00 26 G 8.20 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 27 F 8.24 4.28 0.00 3.13 3.09 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 28 K 8.15 3.76 0.00 1.88 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.46 7.81 29 L 8.28 4.13 0.00 1.83 1.77 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.42 3.98 0.00 1.45 1.51 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.71 3.98 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 3.57 0.00 0.83 0.71 0.14 0.91 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 33 F 7.85 4.48 0.00 3.17 3.07 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 34 K 8.16 3.91 0.00 1.85 1.87 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.31 7.81 35 L 7.76 3.98 0.00 1.65 1.71 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.74 4.24 4.23 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 1.16 0.00 0.00 37 E 7.29 4.34 0.00 2.07 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 2.21 0.00 38 T 7.23 4.52 4.22 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 1.21 0.00 0.00 39 D 8.41 4.77 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.37 4.19 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 41 R 8.49 3.97 0.00 1.87 1.95 0.00 3.11 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 42 I 8.40 5.10 1.86 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 1.37 0.95 0.98 0.00 0.00 43 T 8.74 4.69 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 44 I 8.64 4.98 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.97 0.00 0.00 45 G 8.98 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 0.00 0.00 0.00 46 L 8.47 5.20 0.00 1.49 1.56 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.88 4.17 0.00 2.87 2.88 0.00 0.00 7.03 7.43 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 48 L 8.41 4.12 0.00 1.67 1.59 0.93 1.04 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 49 P 0.00 4.37 0.00 2.03 2.06 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 50 S 8.40 4.58 0.00 3.82 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 51 G 8.38 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 0.00 0.00 0.00 52 E 8.04 4.14 0.00 2.07 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 0.00 2.27 2.32 0.00 53 M 8.37 4.50 0.00 1.80 1.93 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 2.32 2.54 0.00 54 G 7.86 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 55 R 7.65 5.04 0.00 1.65 1.79 0.00 3.25 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 56 K 8.92 4.74 0.00 1.97 1.92 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.44 7.81 57 D 8.99 5.47 0.00 2.58 2.61 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 58 L 8.35 4.92 0.00 1.74 1.47 1.02 1.13 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 59 I 8.73 4.97 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.90 0.00 0.00 60 K 9.19 4.85 0.00 1.97 1.62 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.39 7.81 61 I 8.58 4.75 1.78 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 1.07 0.38 0.85 0.00 0.00 62 E 8.53 4.55 0.00 2.09 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 63 N 8.51 4.00 0.00 2.79 2.80 0.00 0.00 6.77 7.40 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 64 T 6.81 4.37 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 1.13 0.00 0.00 65 F 8.60 4.92 0.00 3.04 2.89 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 66 L 8.53 4.53 0.00 1.56 1.59 0.90 0.85 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 67 S 8.91 4.69 0.00 3.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.14 3.93 0.00 2.19 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 2.30 2.28 0.00 69 D 9.10 4.39 0.00 2.88 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.86 3.96 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 71 V 7.62 3.66 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 1.05 0.00 0.00 0.93 0.00 0.00 72 D 8.05 4.54 0.00 3.00 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 73 Q 7.82 4.09 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 74 L 7.55 4.16 0.00 1.77 1.64 0.80 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.84 3.98 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 76 L 7.62 3.81 0.00 1.37 0.83 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.18 4.55 0.00 3.11 3.05 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 78 A 8.30 4.83 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 79 P 0.00 4.34 0.00 2.17 2.32 0.00 3.71 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 1.97 1.93 0.00 80 Q 7.43 4.46 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 81 A 7.91 4.79 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 82 T 8.56 4.59 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 83 V 8.62 4.49 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 0.94 0.00 0.00 0.90 0.00 0.00 84 N 8.70 5.56 0.00 2.68 2.67 0.00 0.00 6.70 7.33 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 85 R 8.98 5.06 0.00 2.11 2.33 0.00 2.96 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 86 I 8.88 5.05 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.19 1.05 0.00 0.00 87 D 8.87 4.57 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.17 4.40 0.00 2.77 2.85 0.00 0.00 7.25 7.48 0.00 0.00 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 Y 8.50 3.68 0.00 3.21 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 90 E 8.35 4.72 0.00 1.99 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 2.31 2.44 0.00 91 V 8.34 3.99 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 0.87 0.00 0.00 0.96 0.00 0.00 92 V 8.83 4.31 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 0.70 0.00 0.00 0.94 0.00 0.00 93 G 7.88 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 0.00 0.00 0.00 0.00 94 K 8.53 4.90 0.00 1.72 1.69 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.57 7.81 95 S 9.01 4.80 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.21 4.96 0.00 1.76 1.76 0.00 3.29 0.00 0.00 3.47 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 97 P 0.00 4.47 0.00 2.09 2.21 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 98 S 8.45 4.78 0.00 3.96 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 99 L 8.38 3.96 0.00 1.59 1.62 0.87 0.92 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 0.00 100 P 0.00 4.70 0.00 2.36 2.10 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 101 E 8.78 4.48 0.00 1.95 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 2.33 2.29 0.00 102 R 7.93 5.14 0.00 1.79 1.78 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 103 I 8.89 4.66 2.00 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 1.31 0.72 1.07 0.00 0.00 104 D 8.90 5.27 0.00 2.61 2.63 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 0.00 105 N 9.28 4.63 0.00 2.89 3.00 0.00 0.00 6.82 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.69 3.99 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 0.61 0.00 0.00 0.59 0.00 0.00 107 L 7.66 4.86 0.00 1.88 1.62 0.53 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.63 4.56 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 0.96 0.00 0.00 0.96 0.00 0.00 109 C 8.83 4.63 0.00 3.09 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 0.00 110 P 0.00 3.84 0.00 0.90 1.73 0.00 3.03 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 1.20 1.75 0.00 111 N 7.59 4.52 0.00 3.10 2.85 0.00 0.00 6.67 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.75 4.12 0.00 3.87 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 0.00 113 N 8.22 4.64 0.00 2.74 2.84 0.00 0.00 6.91 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 0.00 114 C 7.93 4.28 0.00 3.05 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 0.00 115 I 8.35 3.72 1.82 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 1.40 0.93 0.69 0.00 0.00 116 S 7.82 3.87 0.00 3.86 3.70 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 0.00 117 H 7.69 4.34 0.00 3.17 3.35 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.65 4.51 1.23 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 0.00 0.00 119 E 7.54 4.75 0.00 1.78 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 2.11 2.12 0.00 120 P 0.00 4.64 0.00 2.02 2.03 0.00 3.57 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 2.00 2.04 0.00 121 V 7.23 4.46 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 0.50 0.00 0.00 0.94 0.00 0.00 122 S 8.55 4.72 0.00 3.83 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 0.00 123 S 8.76 4.47 0.00 4.11 4.13 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 0.00 124 S 8.09 5.09 0.00 3.99 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.58 5.50 0.00 2.97 2.89 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 0.00 126 A 9.03 5.02 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 0.00 127 V 8.30 4.53 2.33 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 0.75 0.00 0.00 0.98 0.00 0.00 128 R 8.90 4.44 0.00 1.88 1.72 0.00 3.14 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 129 K 8.85 4.47 0.00 1.80 1.73 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.66 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 130 R 9.13 4.09 0.00 1.94 2.02 0.00 3.23 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 131 A 7.63 4.06 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 0.00 132 N 7.92 4.22 0.00 2.77 3.04 0.00 0.00 7.01 8.47 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 0.00 133 D 8.83 5.07 0.00 2.86 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 0.00 134 I 8.25 5.04 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.88 0.00 0.00 135 A 9.39 5.08 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 0.00 136 L 8.94 5.19 0.00 1.63 1.67 0.68 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 137 K 9.12 4.95 0.00 1.86 1.71 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.35 7.81 138 C 8.96 3.85 0.00 3.05 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 0.00 139 K 8.21 3.51 0.00 1.60 1.30 0.00 1.62 0.00 0.00 1.43 0.00 0.00 2.23 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.52 1.07 7.81 140 Y 7.83 4.27 0.00 2.98 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 0.00 141 C 7.98 4.25 0.00 3.17 3.25 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 0.00 142 E 8.17 4.54 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 143 K 7.34 4.33 0.00 1.63 1.12 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.60 7.81 144 E 8.16 5.05 0.00 1.87 1.70 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 2.18 2.32 0.00 145 F 9.18 5.24 0.00 2.92 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.74 4.61 0.00 4.12 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 0.00 147 H 8.96 4.25 0.00 3.30 3.66 0.00 5.26 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.16 4.22 0.00 2.63 2.84 0.00 0.00 6.92 7.56 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 0.00 149 V 7.69 3.68 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 0.94 0.00 0.00 0.97 0.00 0.00 150 V 7.51 3.48 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 0.58 0.00 0.00 0.82 0.00 0.00 151 L 7.82 4.35 0.00 1.68 1.68 0.82 0.93 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 0.00 152 A 8.95 4.50 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 0.00 153 N 7.74 3.90 0.00 2.72 2.81 0.00 0.00 7.23 8.81 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 * Residues marked with a * may have inaccurate shift predictions.