NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6145 8.2233 120.1942 54.1083 42.6993 175.9292 3 D 4.4160 8.3786 120.7943 55.8627 40.8394 177.6048 4 R 3.9412 8.1409 118.9211 59.1424 30.4848 177.9143 5 L 3.9545 7.9244 119.7630 58.1237 41.9206 178.5755 6 F 4.1991 7.6554 118.5381 61.4786 39.4399 177.0130 7 R 3.9219 7.9723 116.4448 59.2200 29.9075 178.4976 8 N 4.4271 8.3520 115.6182 56.0420 38.6908 177.8222 9 A 4.0994 7.9136 118.6224 52.8988 18.2000 179.1378 *11 G 3.6804 8.0593 109.7970 46.5146 0.0000 175.1630 12 K 3.9634 8.0664 118.1725 57.1114 32.3452 176.6785 13 F 4.6774 7.9906 121.6388 56.3152 38.9886 174.8249 14 A 4.6625 8.1140 130.4955 52.3899 19.0746 176.0553 15 T 4.5627 8.7791 110.0508 59.9028 73.2415 173.8137 16 G 4.4244 8.5319 109.1358 44.9075 0.0000 172.6148 17 V 4.8120 8.3432 118.1881 61.2457 34.9818 174.8632 18 T 5.1273 8.8087 116.3964 59.9882 72.7956 172.4584 19 V 4.4673 8.5427 122.2308 61.1145 34.2069 174.3133 20 I 4.7041 8.1853 128.7966 60.6938 38.6633 174.8743 21 T 5.0665 8.8773 117.0832 60.5098 72.3530 172.5956 22 T 4.7930 8.5760 116.3242 61.2987 71.6951 171.4514 23 E 4.9903 8.6191 123.6492 54.0851 33.0457 173.9952 24 L 4.5760 8.8475 128.3910 54.2435 44.4207 176.1385 25 N 4.2665 9.9256 126.1339 54.3595 36.1680 172.8666 26 G 4.1880 8.2290 107.5932 45.1484 0.0000 173.7486 27 A 4.0380 7.8869 122.8456 51.5425 19.0375 176.0544 28 V 4.3492 7.9373 122.1022 61.8869 32.7123 174.7856 29 H 5.0138 9.1058 124.9196 54.1856 32.2113 173.3395 30 G 4.7404 8.4347 107.6468 44.7185 0.0000 171.3201 *32 T 4.4075 8.3930 114.6886 63.3996 69.7790 173.6493 33 A 4.6993 8.8559 128.0079 50.8567 22.3110 176.1412 34 N 4.9924 8.7381 117.1468 52.5439 39.1881 175.5504 35 A 4.4071 7.7318 123.9873 51.0193 16.9882 175.3201 36 F 5.6348 7.6461 122.4270 54.6025 43.5145 173.4739 *38 S 4.0123 8.3045 115.5499 58.1691 62.7799 171.9837 39 V 4.1327 8.2112 126.0504 63.7907 33.0255 175.3674 40 S 4.6825 7.4593 112.9837 56.3989 65.6926 174.0846 41 L 4.0172 8.6673 127.8630 56.7434 42.4035 176.3750 42 N 4.8186 7.8231 117.1580 50.5529 40.0596 172.4026 43 P 4.4990 0.0000 0.0000 61.6218 32.8047 176.4728 44 K 4.4839 8.3519 117.5041 56.1086 32.0556 176.2191 45 L 5.4702 8.9377 125.5861 52.7848 45.5522 176.1224 46 V 4.8315 8.7987 120.0825 60.2359 35.5885 173.7716 47 L 5.5038 8.2323 121.9464 53.5132 45.7925 175.1333 48 V 4.8825 8.7947 123.8006 59.9567 35.2335 174.1520 49 S 5.1548 8.7436 116.9077 56.7529 64.5378 173.1140 50 I 4.6425 8.9690 128.4781 59.1052 40.2474 175.6683 51 G 3.6905 8.6312 113.8979 45.7823 0.0000 174.4277 52 E 4.1046 8.8780 121.1482 58.5972 29.6188 178.1137 53 K 4.2830 7.8618 115.8603 55.9808 32.6735 176.1271 54 A 4.2967 7.6344 123.5755 51.3416 18.6616 179.3122 55 K 3.8848 8.5903 125.3010 56.2206 32.4481 179.0965 *57 L 4.3454 8.1476 120.8184 55.1342 44.0558 178.2639 58 E 4.1940 8.0899 116.5534 59.3567 29.4490 178.7747 59 K 3.8387 7.6326 118.3418 59.4707 32.0627 179.3526 60 I 3.6221 7.4547 119.2979 64.2422 36.8161 178.1400 61 Q 4.1163 7.8492 118.0865 59.0264 28.5685 178.9815 62 Q 4.1784 7.9287 118.2501 58.9129 29.1814 178.4491 63 S 4.2053 8.0811 113.5068 59.1275 63.1792 174.6827 64 K 4.0152 8.3532 120.5858 56.6170 30.1466 174.2912 65 K 5.1147 7.6470 116.3440 56.0917 35.9411 174.6592 66 Y 5.0241 8.0525 116.5958 56.2040 41.5827 173.0452 67 A 5.1816 9.2576 122.8311 50.2526 22.6408 175.4180 68 V 4.3857 8.9081 120.8555 61.2172 33.9338 174.3121 69 N 5.1042 8.9051 126.4018 51.4781 40.5548 173.9925 70 I 4.3072 8.3660 126.3120 60.9445 38.5872 175.5579 71 L 4.9956 8.9170 127.9573 53.8076 43.6367 176.8597 72 S 4.7974 9.1126 118.1978 57.2768 64.5484 174.8354 73 Q 3.9580 8.7675 121.8308 59.2881 28.6761 177.1243 74 D 4.7809 7.8441 115.1383 54.4337 41.1125 176.3454 75 Q 4.6228 7.7772 118.5774 55.3416 29.8381 177.8267 76 K 3.5680 8.2076 121.6182 59.3120 32.4817 178.0696 77 V 3.6847 7.6260 117.5159 65.7160 31.9843 176.9418 78 L 4.0980 7.9796 119.4989 57.9809 41.6884 179.0650 79 S 4.2346 7.9107 109.7029 59.8919 62.7795 174.9948 *81 N 4.4891 8.2038 117.6216 53.6786 39.9620 175.7509 82 F 4.5676 8.2736 112.8585 58.1075 39.0718 176.0101 83 A 4.4700 7.8213 123.3667 51.4611 19.1426 177.6564 84 G 3.8754 7.9587 103.5332 46.8663 0.0000 174.7270 85 Q 4.4953 8.1677 115.8900 55.1140 29.5328 175.3977 86 L 4.7956 7.4396 118.0505 52.5383 44.1929 176.3517 87 E 4.0409 8.9650 122.5648 58.4414 29.6815 177.3172 88 K 4.5087 7.6244 118.7321 53.4164 34.1301 173.8129 89 P 4.4411 0.0000 0.0000 62.7384 31.9157 176.4921 90 V 3.8775 8.0511 114.9467 60.4256 32.5604 176.2011 91 D 4.4911 8.2777 121.7879 53.3332 40.2830 175.6692 92 V 3.7891 7.9495 126.5948 61.7249 32.7154 175.4076 93 Q 4.2350 8.2070 125.9810 55.3496 29.3367 174.8224 94 F 5.3535 8.6068 123.1713 56.2996 41.3723 175.5959 95 E 4.8563 9.1697 118.8318 55.1283 32.9941 173.7206 96 E 5.1310 8.7046 118.2287 54.9654 32.8834 175.7271 97 L 4.3249 9.1142 126.0679 55.1295 45.2525 175.4939 98 G 4.1443 9.2930 114.1668 45.5139 0.0000 173.9847 99 G 3.8912 8.5142 104.7779 45.0529 0.0000 173.8070 100 L 4.9055 7.6667 119.7537 51.6986 44.8648 174.0913 101 P 4.8618 0.0000 0.0000 63.0550 32.0747 175.8180 102 V 4.7450 9.0888 116.1810 59.5825 36.5408 174.2881 103 I 4.4608 9.0496 123.4844 59.6442 38.4869 175.9238 104 K 4.0194 8.3364 129.0027 58.0166 32.4634 176.1886 105 D 4.4643 8.9489 123.2700 54.7426 38.2726 173.9972 106 A 4.3502 7.4056 122.0430 52.1075 19.2387 178.1352 107 L 4.2071 8.9188 122.4384 57.3741 43.1612 176.9153 108 A 5.2240 7.7438 117.9405 50.6346 23.0944 174.8367 109 Q 4.9992 9.3210 118.4326 54.2014 33.1750 174.7414 110 I 4.9129 8.6018 123.5424 59.8798 41.0938 174.3688 111 S 4.9762 8.8863 123.7128 57.3111 65.2002 173.3481 112 C 5.2012 8.6738 120.0564 58.1275 32.9580 172.7661 113 Q 4.8115 8.5302 120.3177 53.7329 31.1186 175.3589 114 V 4.2519 8.7018 125.2372 63.5603 31.5057 175.9607 115 V 4.4588 8.8709 120.5471 61.5647 33.6969 175.1362 116 N 4.9804 7.9251 117.5878 52.5098 42.6024 172.8672 117 E 4.6982 8.5893 123.8914 54.7842 32.6310 174.3685 118 V 4.3228 8.4813 127.5623 60.8369 34.3454 174.3795 119 Q 4.4859 8.7119 129.3861 56.0190 30.2109 175.7225 120 A 4.4082 9.2696 129.3918 51.1874 21.2996 177.6456 121 G 3.7839 8.3504 114.3977 47.1335 0.0000 174.4947 122 D 4.5104 8.8589 125.9875 56.5823 40.9111 174.9879 123 H 5.3827 8.2385 115.2998 54.4194 34.0245 172.2032 124 T 4.8769 9.1411 116.3043 61.7995 71.8323 173.2361 125 L 4.9023 8.7465 126.3991 53.4916 43.7523 175.5395 126 F 5.0813 9.0717 123.9607 55.8940 40.8173 175.0273 127 I 4.6599 8.6743 126.4555 60.6409 38.4463 175.5569 128 G 4.4168 9.5328 114.3849 44.2990 0.0000 171.0853 129 E 4.9459 9.0605 125.4769 54.6545 31.3762 175.1062 130 V 4.2594 8.5709 128.3544 63.1356 31.5384 175.4531 131 T 4.4714 8.8348 118.5401 62.9351 70.4132 174.7259 132 D 4.9283 7.7647 119.5151 52.7194 45.7338 174.6176 133 I 4.9344 8.1935 120.7658 59.6942 41.4669 174.5109 134 K 4.6736 9.2631 126.9342 54.7745 35.4494 174.9421 135 I 5.0747 8.5011 126.7116 59.7765 40.6740 174.1975 136 T 4.6872 8.6187 114.0287 59.8479 72.7856 173.8053 137 E 4.5223 8.4325 117.8789 56.2356 29.8952 176.7573 138 Q 4.2412 7.8760 117.3004 55.8740 29.6188 175.6068 139 D 4.8225 8.3448 119.3879 53.4904 42.3610 174.1355 140 P 5.0025 0.0000 0.0000 61.8280 33.1057 175.2988 141 L 4.2730 8.5000 124.6725 55.2536 43.1757 175.7646 142 L 5.1961 8.8560 125.4148 53.0421 45.8015 175.1473 143 F 5.3523 9.2138 122.7163 56.6970 42.8265 173.3814 144 F 4.8497 8.9741 127.6364 57.6968 43.2757 174.1941 145 S 2.9603 8.8531 122.6130 59.4885 60.6546 173.5819 146 G 3.6487 7.6346 105.3783 45.3268 0.0000 173.8520 147 K 4.4544 6.7520 118.1535 54.1252 35.8187 174.9438 148 Y 5.1065 8.1883 118.3670 58.6239 39.0310 174.4668 149 H 5.1085 9.4737 119.0150 54.7802 34.1796 171.8330 150 Q 4.9852 8.4886 116.8428 53.9475 32.7249 175.6844 151 L 4.0896 8.4891 120.5916 54.0978 42.4003 177.3159 152 A 4.0329 8.5122 125.8825 52.7546 18.9159 177.5357 153 Q 4.2397 8.5822 120.3378 56.0010 29.0694 175.6598 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 D 8.22 4.61 0.00 2.79 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 3 D 8.38 4.42 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 4 R 8.14 3.94 0.00 1.93 1.93 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 5 L 7.92 3.95 0.00 1.82 1.71 0.93 0.91 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 6 F 7.66 4.20 0.00 3.14 3.26 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 7 R 7.97 3.92 0.00 2.08 1.97 0.00 3.30 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 8 N 8.35 4.43 0.00 2.82 2.81 0.00 0.00 7.02 6.91 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 9 A 7.91 4.10 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 *11 G 8.06 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 0.00 0.00 0.00 12 K 8.07 3.96 0.00 1.93 1.98 0.00 1.69 0.00 0.00 1.29 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.62 1.50 7.81 13 F 7.99 4.68 0.00 2.95 3.08 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 14 A 8.11 4.66 1.05 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 15 T 8.78 4.56 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 1.41 0.00 0.00 16 G 8.53 4.42 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 0.00 17 V 8.34 4.81 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 1.17 0.00 0.00 1.14 0.00 0.00 18 T 8.81 5.13 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 0.99 0.00 0.00 19 V 8.54 4.47 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 0.25 0.00 0.00 0.88 0.00 0.00 20 I 8.19 4.70 1.77 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 1.32 0.76 0.75 0.00 0.00 21 T 8.88 5.07 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 1.11 0.00 0.00 22 T 8.58 4.79 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 1.18 0.00 0.00 23 E 8.62 4.99 0.00 1.95 1.68 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 2.34 2.17 0.00 24 L 8.85 4.58 0.00 1.70 1.50 0.91 0.65 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 25 N 9.93 4.27 0.00 2.82 2.81 0.00 0.00 7.47 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 26 G 8.23 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 27 A 7.89 4.04 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 28 V 7.94 4.35 1.62 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 -0.23 0.00 0.00 0.55 0.00 0.00 29 H 9.11 5.01 0.00 3.04 3.15 0.00 5.61 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 30 G 8.43 4.74 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 0.00 0.00 0.00 *32 T 8.39 4.41 4.29 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 1.26 0.00 0.00 33 A 8.86 4.70 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 34 N 8.74 4.99 0.00 3.02 2.90 0.00 0.00 6.10 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 35 A 7.73 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.65 5.63 0.00 2.93 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 *38 S 8.30 4.01 0.00 3.85 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 39 V 8.21 4.13 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 0.81 0.00 0.00 0.90 0.00 0.00 40 S 7.46 4.68 0.00 3.83 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 41 L 8.67 4.02 0.00 1.62 1.66 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.82 4.82 0.00 2.70 2.72 0.00 0.00 6.92 8.02 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 43 P 0.00 4.50 0.00 2.18 2.08 0.00 3.76 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 1.99 1.99 0.00 44 K 8.35 4.48 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 45 L 8.94 5.47 0.00 1.56 1.55 0.94 0.97 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 46 V 8.80 4.83 2.27 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 1.22 0.00 0.00 1.10 0.00 0.00 47 L 8.23 5.50 0.00 1.71 1.44 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.79 4.88 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 0.17 0.00 0.00 1.01 0.00 0.00 49 S 8.74 5.15 0.00 3.92 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 50 I 8.97 4.64 2.15 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 1.17 0.63 0.98 0.00 0.00 51 G 8.63 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.88 4.10 0.00 2.07 2.15 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 2.37 2.28 0.00 53 K 7.86 4.28 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 A 7.63 4.30 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 55 K 8.59 3.88 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *57 L 8.15 4.35 0.00 1.81 1.81 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.09 4.19 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 59 K 7.63 3.84 0.00 1.73 1.82 0.00 1.38 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.61 1.48 7.81 60 I 7.45 3.62 1.02 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.39 0.25 0.00 0.00 61 Q 7.85 4.12 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.93 2.91 0.00 62 Q 7.93 4.18 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 63 S 8.08 4.21 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 64 K 8.35 4.02 0.00 1.96 1.93 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.52 7.81 65 K 7.65 5.11 0.00 1.71 1.67 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.34 7.81 66 Y 8.05 5.02 0.00 3.13 2.95 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 67 A 9.26 5.18 1.20 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 0.00 0.00 68 V 8.91 4.39 1.88 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 0.07 0.00 0.00 1.09 0.00 0.00 69 N 8.91 5.10 0.00 2.64 2.67 0.00 0.00 6.60 7.23 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 70 I 8.37 4.31 1.84 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 1.06 0.56 0.91 0.00 0.00 71 L 8.92 5.00 0.00 1.66 1.56 0.99 0.52 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 72 S 9.11 4.80 0.00 3.98 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 73 Q 8.77 3.96 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.16 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 74 D 7.84 4.78 0.00 2.72 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 75 Q 7.78 4.62 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 76 K 8.21 3.57 0.00 1.46 1.65 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.04 0.21 7.81 77 V 7.63 3.68 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.98 4.10 0.00 1.95 1.90 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.91 4.23 0.00 3.88 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 *81 N 8.20 4.49 0.00 2.74 2.66 0.00 0.00 7.13 7.71 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 82 F 8.27 4.57 0.00 3.11 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 83 A 7.82 4.47 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 G 7.96 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 85 Q 8.17 4.50 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 86 L 7.44 4.80 0.00 1.55 1.51 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.97 4.04 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 88 K 7.62 4.51 0.00 1.65 1.64 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.39 7.81 89 P 0.00 4.44 0.00 2.02 1.88 0.00 3.69 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 2.00 2.06 0.00 90 V 8.05 3.88 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 0.53 0.00 0.00 0.80 0.00 0.00 91 D 8.28 4.49 0.00 2.59 2.58 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 92 V 7.95 3.79 1.78 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 0.41 0.00 0.00 0.82 0.00 0.00 93 Q 8.21 4.23 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.61 5.35 0.00 2.97 2.95 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 95 E 9.17 4.86 0.00 1.98 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 0.00 2.21 2.26 0.00 96 E 8.70 5.13 0.00 1.90 1.81 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 2.16 2.25 0.00 97 L 9.11 4.32 0.00 1.70 1.44 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.29 4.14 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 0.00 0.00 0.00 99 G 8.51 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.67 4.91 0.00 1.69 1.51 0.89 1.16 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 0.00 101 P 0.00 4.86 0.00 1.67 1.81 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 102 V 9.09 4.75 2.18 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 0.75 0.00 0.00 0.98 0.00 0.00 103 I 9.05 4.46 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.22 0.84 0.00 0.00 104 K 8.34 4.02 0.00 1.76 1.66 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.41 7.81 105 D 8.95 4.46 0.00 2.85 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 0.00 106 A 7.41 4.35 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 0.00 107 L 8.92 4.21 0.00 1.79 1.91 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.74 5.22 1.20 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 0.00 0.00 109 Q 9.32 5.00 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 110 I 8.60 4.91 1.88 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 1.28 0.68 0.97 0.00 0.00 111 S 8.89 4.98 0.00 3.74 3.69 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 0.00 0.00 0.00 0.00 112 C 8.67 5.20 0.00 1.91 2.35 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 0.00 113 Q 8.53 4.81 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 114 V 8.70 4.25 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 1.00 0.00 0.00 1.14 0.00 0.00 115 V 8.87 4.46 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 0.77 0.00 0.00 0.97 0.00 0.00 116 N 7.93 4.98 0.00 2.79 2.62 0.00 0.00 6.59 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 0.00 117 E 8.59 4.70 0.00 1.97 1.75 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 2.00 1.73 0.00 118 V 8.48 4.32 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.89 0.00 0.00 119 Q 8.71 4.49 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.27 4.41 1.20 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 0.00 0.00 121 G 8.35 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 0.00 0.00 0.00 122 D 8.86 4.51 0.00 2.85 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 0.00 123 H 8.24 5.38 0.00 3.22 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 9.14 4.88 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 0.50 0.00 0.00 125 L 8.75 4.90 0.00 1.47 1.56 0.89 0.91 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 0.00 126 F 9.07 5.08 0.00 2.86 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 0.00 127 I 8.67 4.66 1.94 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 1.21 0.79 0.97 0.00 0.00 128 G 9.53 4.42 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 0.00 129 E 9.06 4.95 0.00 2.03 1.81 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 2.24 2.41 0.00 130 V 8.57 4.26 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 0.97 0.00 0.00 131 T 8.83 4.47 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 1.22 0.00 0.00 132 D 7.76 4.93 0.00 2.54 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 0.00 133 I 8.19 4.93 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 1.25 0.58 0.93 0.00 0.00 134 K 9.26 4.67 0.00 1.80 1.58 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 135 I 8.50 5.07 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 1.42 0.80 0.92 0.00 0.00 136 T 8.62 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 0.00 137 E 8.43 4.52 0.00 1.96 1.98 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 2.22 2.24 0.00 138 Q 7.88 4.24 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.91 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.34 4.82 0.00 2.60 2.58 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 0.00 140 P 0.00 5.00 0.00 2.10 2.06 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 141 L 8.50 4.27 0.00 1.97 1.64 0.86 0.53 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 0.00 142 L 8.86 5.20 0.00 1.78 1.60 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 F 9.21 5.35 0.00 3.09 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 0.00 144 F 8.97 4.85 0.00 3.00 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 0.00 145 S 8.85 2.96 0.00 3.24 3.48 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 0.00 0.00 0.00 0.00 146 G 7.63 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 0.00 0.00 0.00 147 K 6.75 4.45 0.00 1.77 1.50 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.22 7.81 148 Y 8.19 5.11 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 H 9.47 5.11 0.00 3.09 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.49 4.99 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 151 L 8.49 4.09 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.51 4.03 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 0.00 153 Q 8.58 4.24 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.