NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1305 8.1633 120.7624 55.2330 33.9697 173.8985 2 R 4.8772 9.1507 120.6630 52.2244 33.9043 169.5337 3 V 5.5565 8.2270 122.2798 59.6978 35.7955 173.7654 4 V 4.7225 8.6298 124.0784 61.5225 33.6286 173.8360 5 I 4.8132 9.0612 130.2892 60.0079 39.1234 175.0321 6 Q 5.1332 8.7902 125.7613 53.8552 31.7251 174.9458 7 R 4.2794 9.1437 125.0023 56.4648 31.2908 175.5753 8 V 4.6908 9.0624 118.0788 60.4272 36.3919 174.7747 9 K 4.3294 8.6676 122.2705 56.2775 33.1623 176.7795 10 G 4.1614 7.5722 104.8147 45.3295 0.0000 172.5580 11 A 5.1862 8.6117 125.3001 50.5317 23.4877 175.4940 12 I 4.7082 8.5576 122.0956 59.5966 40.6882 173.8517 13 L 4.5096 8.7152 130.1546 54.7825 43.5926 175.8521 14 S 5.5195 8.4125 119.8274 56.7305 67.2653 174.1772 15 V 4.8590 8.3122 117.5835 58.9773 34.5502 175.1402 16 R 4.5483 8.5570 123.2347 55.7804 30.8424 177.7046 *17 K 4.0804 8.7072 126.8043 55.1191 32.0365 175.9885 *18 E 3.9250 8.9465 121.0078 55.3926 29.8672 173.3285 *27 L 4.2495 7.8019 118.8189 56.5925 41.5912 176.3083 28 E 4.5355 8.5939 122.4882 55.4966 31.8704 174.8285 29 I 4.8809 8.1549 121.5179 60.1652 38.2916 176.0036 30 I 4.5396 8.3282 117.3219 61.4303 40.1400 175.9060 31 S 4.7770 7.8327 116.7278 56.8117 65.6359 172.7923 32 E 5.2506 8.6886 123.8226 55.0412 33.1778 173.6440 33 I 4.8431 8.6728 113.2874 59.0642 41.6885 175.0549 34 K 4.6174 8.1564 120.5610 55.8719 31.5960 178.4076 35 N 4.3121 8.7473 125.6555 54.4698 39.3173 173.5356 36 G 4.4506 8.6757 113.4021 46.1092 0.0000 171.2870 37 L 5.3302 7.9483 120.7027 52.9839 46.1102 175.5293 38 I 4.4513 8.3339 123.4840 59.5739 40.0799 173.7919 39 C 4.9657 8.1686 127.0706 58.0389 30.6700 172.9238 40 F 5.1530 8.9722 124.1064 56.1460 40.1606 174.5523 41 L 5.3422 9.2705 127.9683 53.2208 44.2227 175.1522 42 G 4.4873 9.4507 114.4707 44.5714 0.0000 172.3380 43 I 4.9608 8.8340 125.8848 60.8844 39.0699 174.7638 44 H 4.7625 10.3073 125.2113 53.8432 31.8556 175.4278 45 K 3.8535 7.5745 125.8259 59.2467 32.1855 176.6474 46 N 4.9443 7.8048 114.3948 52.0808 37.3383 175.0494 47 D 4.5502 7.8630 119.2829 54.6976 40.8212 177.9388 48 T 4.2468 8.1998 116.8810 61.4569 69.0274 173.6481 49 W 5.1707 8.9772 127.7560 60.2027 30.9631 178.9118 50 E 3.8486 8.3725 118.4400 59.7614 29.0067 178.2725 51 D 4.3800 8.4060 117.6203 57.8621 40.8873 178.7211 52 A 3.8012 7.8153 119.9931 55.4364 18.1615 179.7968 53 L 3.4082 7.4456 117.1548 57.9270 41.7201 178.6236 54 Y 4.0378 7.9514 118.8935 61.4752 38.4706 177.8229 55 I 3.5502 7.6981 119.9732 64.6076 37.3002 178.2220 56 I 3.1093 7.6265 120.7270 64.1396 36.4419 178.4310 57 R 3.6927 7.9613 120.3096 59.1940 29.9245 178.6099 58 K 3.7949 7.7689 117.9734 59.4990 31.8908 178.9117 59 C 3.9996 7.7906 115.7953 63.1338 28.3253 175.9276 60 L 4.3502 7.5397 115.7918 55.6337 41.4777 177.0886 61 N 4.9619 7.5455 113.6325 52.2010 40.8313 174.9008 62 L 4.0581 8.3735 120.3643 54.9834 42.0676 176.8227 63 R 4.8812 8.4294 122.9006 55.2484 28.8988 175.5222 64 L 4.8276 8.3593 119.2722 53.8790 42.2917 176.3318 65 W 4.6626 8.0857 119.1021 54.7119 32.0474 174.8824 66 N 5.0199 8.5152 117.1017 52.9605 39.1911 175.5308 67 N 4.8224 8.3239 118.3995 52.3748 40.4324 175.7285 68 D 4.5432 8.7755 125.2477 54.4422 39.2684 174.6094 69 N 4.5713 9.1050 121.7585 55.5723 40.9135 174.9199 70 K 4.2892 7.7471 117.9165 56.3904 33.6778 175.9226 71 T 4.4350 8.3089 111.4733 60.9152 71.0170 174.1870 72 W 3.6446 7.6205 120.8976 58.1825 25.9179 173.4779 73 D 4.6477 8.0142 117.5023 55.1720 42.6670 175.8697 74 K 4.3980 7.6922 118.0103 55.5657 33.5960 176.6593 75 N 5.6863 8.6632 119.1323 50.3770 39.8647 176.0215 76 V 3.6882 8.6830 116.5069 65.1239 31.7311 178.6503 77 K 3.6906 9.9322 120.7256 59.0438 31.6019 178.7475 78 D 4.3129 8.1150 117.4651 57.5596 40.8829 178.5370 79 L 3.7507 6.8965 114.1980 53.6178 43.0798 175.9207 80 N 4.1609 7.5856 116.8036 53.8206 36.9838 171.0786 81 Y 5.0897 8.0219 117.2731 56.6867 41.8246 175.5782 82 E 4.9494 8.3234 118.2928 55.2594 33.1023 175.2380 83 L 5.3738 8.3917 118.2029 52.8318 46.4030 175.9114 84 L 4.7298 8.3590 125.3690 53.2835 42.8989 174.0789 85 I 4.1443 8.5685 125.0914 60.7615 36.7209 174.4727 86 V 4.2092 8.4690 127.6979 61.1599 33.2177 174.7004 87 S 4.7946 8.7982 123.3578 58.4163 62.2413 173.2808 88 Q 4.5878 9.3743 131.5351 54.2562 28.9608 175.9652 89 F 4.5222 8.7881 122.4254 58.6776 38.6946 177.5792 90 T 3.1017 6.7265 111.2472 63.1488 68.8095 175.9302 91 L 4.0089 7.2284 121.1776 56.7219 41.5448 177.3244 92 F 4.9978 7.6515 115.8425 57.0784 39.9254 176.0224 93 G 3.9733 8.5362 107.8810 46.4337 0.0000 173.4571 94 N 4.8354 9.3027 127.9172 52.2539 40.0389 175.5484 95 T 4.3903 8.2382 117.3528 61.1408 68.7772 175.9430 96 K 3.7863 7.3922 121.5096 59.3292 32.5772 176.9827 97 K 4.2591 7.7537 122.7050 55.8568 33.8067 174.5212 98 G 3.7992 8.6111 114.5580 45.5543 0.0000 174.1852 99 N 4.4539 8.6290 119.0899 54.5504 38.8390 175.1020 100 K 4.0943 7.3967 119.9985 54.8836 32.4982 174.5577 101 P 4.1929 0.0000 0.0000 62.3604 32.2241 174.8911 102 D 4.3914 8.1371 121.3948 52.5332 43.0997 175.8954 103 F 5.2173 7.9529 123.1915 56.7954 39.1176 174.5989 104 H 5.1613 8.1001 114.0281 55.5627 29.8373 175.7820 105 L 4.5148 7.7514 115.0516 54.7290 43.6554 177.1920 106 A 4.4333 8.1415 119.7892 51.2581 18.4610 175.4035 107 K 3.5677 8.0381 121.3176 56.2408 32.8957 175.2154 108 E 4.0336 8.6676 124.1343 56.2813 30.9593 176.0605 109 P 4.3981 0.0000 0.0000 66.7155 31.5573 177.9634 110 N 4.4656 8.3139 114.8539 56.2092 38.4357 176.9372 111 E 4.0519 8.1502 118.6705 59.2944 29.7146 179.1151 112 A 4.1514 8.3372 122.1683 54.8316 18.7999 178.9605 113 L 2.8028 8.2165 119.2907 58.1560 41.9437 179.0577 114 I 3.6073 7.6340 117.6720 64.0918 37.8007 177.2138 115 F 4.2467 7.8557 120.0397 62.0899 39.3978 176.0261 116 Y 4.3247 8.8431 118.9040 61.3065 37.9742 177.9558 117 N 4.1081 8.2751 116.5619 56.2102 38.4711 177.5123 118 K 4.6103 8.2204 120.9174 58.1541 31.9857 179.4112 119 I 3.8284 8.1136 121.0816 64.2898 37.3517 178.1887 120 I 3.9333 7.5267 119.6073 63.8496 36.8978 178.1665 121 D 4.3042 7.7425 119.4378 57.4408 40.8161 178.2685 122 E 4.1322 7.8809 118.8253 58.5306 29.6168 178.8843 123 F 4.2078 8.1454 118.2672 60.6960 39.0529 177.6425 124 K 4.8843 8.0031 116.7667 58.2347 31.8528 178.4581 125 K 4.1838 7.9143 120.3912 58.3445 32.2343 177.8981 126 Q 4.1525 8.5401 122.0333 56.3366 28.9546 177.4071 127 Y 4.7284 8.5349 116.3782 57.1942 39.1838 176.9936 128 N 4.9787 8.6264 119.2363 52.1907 40.5102 174.0698 129 D 4.2355 8.5154 116.2361 57.5136 41.5380 178.4335 130 D 4.4977 7.9480 116.2417 56.1587 41.1998 176.9543 131 K 4.4035 7.9044 117.2962 55.9039 34.1397 175.9702 132 I 4.2673 7.5406 122.3803 59.6456 36.1002 175.2196 133 K 4.4738 8.6504 125.8086 55.8869 34.2239 176.5212 134 I 4.6480 7.7694 113.6650 60.5024 39.3732 172.7377 135 G 4.1089 8.3553 108.0718 44.3996 0.0000 171.8698 136 K 4.1589 8.5258 118.6757 55.7157 31.3896 177.1097 137 F 3.8779 9.0424 126.5570 59.7281 40.1227 175.2579 138 G 3.4350 7.6386 115.1224 45.6002 0.0000 170.9907 139 N 4.7284 7.1866 113.7722 52.4920 42.9469 174.1318 140 Y 4.3081 8.4791 120.5218 57.2203 38.7428 173.6301 141 M 4.6999 7.8013 126.6178 53.4081 34.8483 175.5033 142 N 4.6146 8.9818 120.9902 52.0020 41.3250 172.8041 143 I 5.1109 8.0470 127.0437 59.0980 38.9401 175.1950 144 D 4.7134 8.6470 127.9985 53.4651 41.9959 175.6934 145 V 4.7243 8.4572 123.2903 61.5022 34.5754 175.6891 146 T 4.4817 8.8876 124.3027 61.2948 68.5525 170.9783 147 N 4.7411 8.4086 119.6061 53.5034 39.0692 174.2254 148 D 3.9971 8.7220 125.4963 57.0392 41.3858 174.0177 149 G 3.7745 8.9753 119.1688 44.2256 0.0000 172.5896 150 P 4.6559 0.0000 0.0000 60.3546 33.6099 175.8955 151 V 4.5040 7.9497 117.0317 61.7962 34.3629 173.8086 152 T 5.2711 8.6447 123.4089 62.0990 72.6565 173.6280 153 I 4.5914 9.1028 124.6332 60.4192 41.6727 173.8418 154 Y 5.0262 8.5575 127.8807 56.1327 40.9249 174.7710 155 I 4.2210 6.4738 121.8841 60.3209 41.7488 172.8768 156 D 4.9658 8.5641 126.8892 52.6506 42.9369 176.1304 157 T 4.1805 8.4830 114.3271 63.3419 69.7666 175.6415 158 H 4.3447 8.7156 122.9389 59.3480 29.9685 176.2558 159 D 4.5546 8.0539 115.6574 54.2690 40.5746 176.0985 160 I 3.6763 7.2339 118.8569 61.6322 37.7992 173.7861 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 8.16 5.13 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.15 4.88 0.00 1.24 1.62 0.00 3.18 0.00 0.00 2.69 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 3 V 8.23 5.56 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 0.81 0.00 0.00 1.00 0.00 0.00 4 V 8.63 4.72 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.11 0.00 0.00 5 I 9.06 4.81 1.88 0.00 0.00 0.86 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 0.50 0.90 0.00 0.00 6 Q 8.79 5.13 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 7 R 9.14 4.28 0.00 1.52 1.63 0.00 2.40 0.00 0.00 2.58 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.00 8 V 9.06 4.69 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 0.67 0.00 0.00 0.96 0.00 0.00 9 K 8.67 4.33 0.00 1.62 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.39 7.81 10 G 7.57 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 0.00 0.00 0.00 0.00 11 A 8.61 5.19 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 12 I 8.56 4.71 1.87 0.00 0.00 0.86 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 1.20 0.91 0.00 0.00 13 L 8.72 4.51 0.00 1.75 1.67 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.41 5.52 0.00 3.89 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.31 4.86 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 0.97 0.00 0.00 0.96 0.00 0.00 16 R 8.56 4.55 0.00 1.86 1.89 0.00 3.21 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 *17 K 8.71 4.08 0.00 1.77 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *18 E 8.95 3.92 0.00 1.98 1.89 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 2.24 1.90 0.00 *27 L 7.80 4.25 0.00 1.96 1.83 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.59 4.54 0.00 1.98 1.93 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 2.30 2.30 0.00 29 I 8.15 4.88 1.88 0.00 0.00 0.86 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 0.55 0.95 0.00 0.00 30 I 8.33 4.54 1.89 0.00 0.00 0.86 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 0.68 0.93 0.00 0.00 31 S 7.83 4.78 0.00 3.87 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 32 E 8.69 5.25 0.00 2.13 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 2.16 2.29 0.00 33 I 8.67 4.84 1.85 0.00 0.00 0.86 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 0.68 0.94 0.00 0.00 34 K 8.16 4.62 0.00 1.72 1.35 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.36 7.81 35 N 8.75 4.31 0.00 1.98 1.42 0.00 0.00 6.60 8.00 0.00 0.00 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 G 8.68 4.45 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 0.00 37 L 7.95 5.33 0.00 1.64 1.54 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.33 4.45 1.76 0.00 0.00 0.86 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 1.44 0.77 0.00 0.00 39 C 8.17 4.97 0.00 2.76 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 40 F 8.97 5.15 0.00 3.09 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 41 L 9.27 5.34 0.00 1.88 1.73 1.13 1.12 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 42 G 9.45 4.49 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 0.00 0.00 0.00 43 I 8.83 4.96 2.17 0.00 0.00 0.86 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 0.62 1.26 0.00 0.00 44 H 10.31 4.76 0.00 3.42 3.54 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.57 3.85 0.00 1.59 1.81 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.39 7.81 46 N 7.80 4.94 0.00 2.77 2.77 0.00 0.00 6.06 8.06 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 47 D 7.86 4.55 0.00 2.56 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.20 4.25 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 49 W 8.98 5.17 0.00 3.50 3.20 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 50 E 8.37 3.85 0.00 2.09 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 2.40 2.46 0.00 51 D 8.41 4.38 0.00 3.10 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 52 A 7.82 3.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.45 3.41 0.00 1.67 1.50 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.95 4.04 0.00 2.99 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 55 I 7.70 3.55 1.93 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.43 0.91 0.00 0.00 56 I 7.63 3.11 1.35 0.00 0.00 0.86 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 0.95 -0.08 0.00 0.00 57 R 7.96 3.69 0.00 1.70 1.79 0.00 3.02 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 58 K 7.77 3.79 0.00 1.56 1.66 0.00 1.48 0.00 0.00 1.16 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.66 1.03 7.81 59 C 7.79 4.00 0.00 3.17 3.24 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 60 L 7.54 4.35 0.00 1.85 1.63 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.55 4.96 0.00 2.69 2.74 0.00 0.00 6.95 7.52 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 62 L 8.37 4.06 0.00 1.72 1.62 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.43 4.88 0.00 1.92 2.14 0.00 3.22 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 64 L 8.36 4.83 0.00 0.91 1.46 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.09 4.66 0.00 3.76 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 66 N 8.52 5.02 0.00 2.69 2.71 0.00 0.00 6.61 8.00 0.00 0.00 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 N 8.32 4.82 0.00 2.72 2.64 0.00 0.00 7.53 8.01 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 68 D 8.78 4.54 0.00 2.88 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 69 N 9.10 4.57 0.00 2.65 2.83 0.00 0.00 6.93 6.68 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 70 K 7.75 4.29 0.00 1.96 1.93 0.00 1.36 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.61 1.38 7.81 71 T 8.31 4.43 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 0.96 0.00 0.00 72 W 7.62 3.64 0.00 3.45 3.39 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 73 D 8.01 4.65 0.00 2.63 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 74 K 7.69 4.40 0.00 1.88 1.69 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.34 7.81 75 N 8.66 5.69 0.00 3.18 3.05 0.00 0.00 6.62 9.03 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 76 V 8.68 3.69 2.45 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 0.78 0.00 0.00 1.07 0.00 0.00 77 K 9.93 3.69 0.00 1.70 1.64 0.00 1.33 0.00 0.00 1.22 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.30 1.12 7.81 78 D 8.11 4.31 0.00 2.67 2.67 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 79 L 6.90 3.75 0.00 0.29 0.13 0.19 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.59 4.16 0.00 2.68 2.69 0.00 0.00 7.02 7.34 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 81 Y 8.02 5.09 0.00 2.82 2.83 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 82 E 8.32 4.95 0.00 1.97 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 0.00 2.23 2.30 0.00 83 L 8.39 5.37 0.00 1.48 1.32 1.05 0.11 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 84 L 8.36 4.73 0.00 1.68 1.42 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.57 4.14 1.83 0.00 0.00 0.86 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 0.66 1.05 0.00 0.00 86 V 8.47 4.21 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 1.09 0.00 0.00 0.89 0.00 0.00 87 S 8.80 4.79 0.00 3.21 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 88 Q 9.37 4.59 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 89 F 8.79 4.52 0.00 3.33 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 90 T 6.73 3.10 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 91 L 7.23 4.01 0.00 1.56 1.56 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.65 5.00 0.00 3.13 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 93 G 8.54 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 94 N 9.30 4.84 0.00 2.82 2.70 0.00 0.00 6.43 7.14 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 95 T 8.24 4.39 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 96 K 7.39 3.79 0.00 1.82 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.65 7.81 97 K 7.75 4.26 0.00 1.68 1.67 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.47 7.81 98 G 8.61 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.63 4.45 0.00 2.71 2.87 0.00 0.00 6.99 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 0.00 100 K 7.40 4.09 0.00 1.70 1.66 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.31 7.81 101 P 0.00 4.19 0.00 1.84 1.99 0.00 3.72 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 1.75 2.02 0.00 102 D 8.14 4.39 0.00 2.58 2.41 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 0.00 103 F 7.95 5.22 0.00 3.18 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 0.00 104 H 8.10 5.16 0.00 3.18 3.24 0.00 5.60 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.75 4.51 0.00 1.19 0.92 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.14 4.43 1.53 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 0.00 0.00 107 K 8.04 3.57 0.00 1.94 1.85 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 108 E 8.67 4.03 0.00 2.39 1.89 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 2.41 2.51 0.00 109 P 0.00 4.40 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 110 N 8.31 4.47 0.00 2.84 2.82 0.00 0.00 6.86 7.66 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 0.00 111 E 8.15 4.05 0.00 2.16 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 0.00 2.61 2.33 0.00 112 A 8.34 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.22 2.80 0.00 1.83 1.98 0.68 0.96 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 0.00 114 I 7.63 3.61 1.89 0.00 0.00 0.86 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 1.45 1.10 0.00 0.00 115 F 7.86 4.25 0.00 3.18 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 0.00 116 Y 8.84 4.32 0.00 2.96 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 0.00 117 N 8.28 4.11 0.00 2.95 2.80 0.00 0.00 7.18 7.12 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 0.00 118 K 8.22 4.61 0.00 1.81 1.43 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.45 7.81 119 I 8.11 3.83 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.93 0.00 0.00 120 I 7.53 3.93 1.68 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 0.85 0.00 0.00 121 D 7.74 4.30 0.00 2.93 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 0.00 122 E 7.88 4.13 0.00 2.37 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 2.18 2.30 0.00 123 F 8.15 4.21 0.00 3.37 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 0.00 124 K 8.00 4.88 0.00 1.78 1.88 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 125 K 7.91 4.18 0.00 1.99 1.89 0.00 1.87 0.00 0.00 2.11 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 126 Q 8.54 4.15 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 127 Y 8.53 4.73 0.00 3.02 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.63 4.98 0.00 2.72 2.66 0.00 0.00 5.56 8.07 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 0.00 129 D 8.52 4.24 0.00 2.73 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 0.00 130 D 7.95 4.50 0.00 2.59 2.64 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 0.00 0.00 0.00 0.00 131 K 7.90 4.40 0.00 1.28 1.71 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.10 1.13 7.81 132 I 7.54 4.27 1.81 0.00 0.00 0.86 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 0.59 0.71 0.00 0.00 133 K 8.65 4.47 0.00 1.87 1.69 0.00 1.50 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.40 7.81 134 I 7.77 4.65 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.46 1.01 0.00 0.00 135 G 8.36 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 0.00 136 K 8.53 4.16 0.00 1.80 1.85 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.48 7.81 137 F 9.04 3.88 0.00 2.97 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 0.00 138 G 7.64 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.19 4.73 0.00 2.90 2.73 0.00 0.00 7.14 7.46 0.00 0.00 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 Y 8.48 4.31 0.00 3.07 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 M 7.80 4.70 0.00 1.82 1.80 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 2.58 2.46 0.00 142 N 8.98 4.61 0.00 2.80 2.68 0.00 0.00 7.13 8.09 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 0.00 143 I 8.05 5.11 1.92 0.00 0.00 0.86 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 1.75 0.93 0.00 0.00 144 D 8.65 4.71 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.46 4.72 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 0.90 0.00 0.00 0.98 0.00 0.00 146 T 8.89 4.48 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.41 4.74 0.00 2.61 2.82 0.00 0.00 7.15 8.06 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 0.00 148 D 8.72 4.00 0.00 2.84 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 0.00 149 G 8.98 3.77 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 0.00 0.00 0.00 150 P 0.00 4.66 0.00 2.20 2.09 0.00 3.33 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 151 V 7.95 4.50 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 1.12 0.00 0.00 0.88 0.00 0.00 152 T 8.64 5.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 153 I 9.10 4.59 1.88 0.00 0.00 0.86 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 0.61 0.90 0.00 0.00 154 Y 8.56 5.03 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 6.47 4.22 1.72 0.00 0.00 0.86 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 0.43 0.96 0.00 0.00 156 D 8.56 4.97 0.00 2.75 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.48 4.18 4.47 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 1.35 0.00 0.00 158 H 8.72 4.34 0.00 3.29 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.05 4.55 0.00 2.65 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 0.00 160 I 7.23 3.68 1.33 0.00 0.00 0.86 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 0.30 0.74 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.