NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6378 8.2076 120.1938 54.3226 43.2434 177.4392 4 V 3.5402 7.7782 118.4531 64.0552 31.4466 175.9200 5 L 4.2550 8.7946 120.7597 56.8984 42.7821 178.8027 6 R 4.6097 7.7235 115.5863 56.1661 30.2281 176.3524 7 R 4.6250 7.7371 118.0109 55.7393 30.6096 175.3844 8 N 5.0115 7.7105 111.5589 50.5607 40.0139 173.4145 9 P 4.2787 0.0000 0.0000 65.5827 31.8478 177.6557 10 L 3.9891 8.0138 120.7428 57.4975 42.0830 177.4691 11 F 5.1962 8.0231 113.8838 57.1960 39.7604 177.0771 12 A 4.4637 8.1030 123.7779 54.0967 18.2103 178.4954 13 A 4.4146 7.9459 116.4791 52.5875 19.3328 177.6226 14 L 4.4190 7.7903 116.8779 54.4100 42.3532 177.3980 15 D 4.7702 8.8369 122.8351 52.2045 42.1704 177.3970 16 D 4.3602 8.5359 118.5992 57.6277 40.7404 178.6555 17 E 3.9297 8.1824 118.9097 59.6146 29.5936 178.7645 18 Q 4.2956 9.0661 118.5185 59.0555 28.6998 178.9696 19 S 4.0733 8.6280 115.5658 61.1007 62.9990 176.2747 20 A 3.9332 8.3120 124.7542 55.1174 17.8906 179.5060 21 E 3.8809 8.0077 115.8196 59.2621 29.7644 178.8324 22 L 3.1767 7.9870 120.5968 58.1263 41.8196 178.8804 23 R 3.6725 7.7253 116.8499 59.5117 29.9931 177.7752 24 A 4.1676 7.3929 118.4805 53.7289 18.4755 178.1135 25 S 4.3261 7.5297 113.8289 58.0365 64.2966 173.9388 *27 S 4.2839 7.4144 115.4820 58.2519 64.6092 172.1780 28 E 4.8380 8.6420 120.9830 55.8073 30.5565 175.9557 29 V 4.5256 8.9561 123.9886 61.3421 34.8789 174.1266 30 T 5.1097 8.6095 123.3129 61.7308 71.2320 173.3589 31 L 4.8533 8.7769 124.9988 52.7824 45.4565 176.0211 32 A 4.9675 8.5657 123.8457 50.1027 20.4898 176.8130 33 R 4.1292 7.9048 119.0509 57.4247 30.3704 177.2435 34 G 3.9969 9.1122 113.5474 45.3852 0.0000 173.6077 35 D 4.5982 7.8729 120.2786 54.6542 42.1107 175.3987 36 T 4.6184 8.1594 112.1719 60.6061 69.7379 174.4297 37 L 4.0679 8.5070 129.5404 57.6837 42.6770 176.3969 38 F 4.8926 7.0246 111.0328 56.4940 41.2429 172.3310 39 H 5.3648 9.4737 116.8804 53.5539 31.5235 174.2970 40 E 4.2359 8.7754 122.7465 58.2948 29.7330 177.5464 41 G 4.0240 9.1160 115.3305 45.1656 0.0000 173.4939 42 D 4.6205 7.9589 119.8169 53.4533 42.0966 174.2959 43 P 4.5213 0.0000 0.0000 62.8871 32.4163 176.0738 44 G 4.0812 8.9278 110.7674 43.9442 0.0000 172.4300 45 D 5.4847 8.3784 127.0562 52.3241 40.4303 174.9929 46 R 4.9495 7.9481 112.8373 56.1554 32.2354 173.7216 47 L 4.9884 8.2777 120.9954 54.4927 43.6424 174.7393 48 Y 5.2096 9.2501 117.3426 56.3082 42.3020 174.5628 49 V 4.8355 8.6483 122.5741 61.0132 33.8703 175.0989 50 V 4.0905 8.6302 128.8897 63.6969 31.9554 176.1992 51 T 4.4065 9.2839 124.5575 64.7754 70.4780 174.4711 52 E 4.5502 7.9583 116.8431 56.1854 33.2700 176.7291 53 G 3.9216 8.7514 109.2417 45.2639 0.0000 172.5247 54 K 4.9089 8.0637 115.6475 54.5819 36.7188 175.8984 55 V 4.7247 8.6985 122.9148 60.9391 35.0333 173.8564 56 K 4.9841 9.0362 129.1170 54.7730 33.9253 174.5432 57 L 5.4418 8.7795 127.5848 53.3454 44.1064 175.2589 58 H 5.1785 9.3157 118.2747 54.2405 32.7866 172.0693 59 R 5.1016 9.0230 117.5729 54.7019 34.6580 174.4314 60 T 5.1855 8.2292 115.7444 61.8592 71.4769 174.9548 61 S 4.4360 8.9787 121.2512 57.1046 63.9585 173.5472 62 P 4.3538 0.0000 0.0000 64.7214 31.1004 177.2264 63 D 4.4642 7.9000 116.5591 53.6528 39.9659 177.2368 64 G 4.0481 8.2765 107.9688 45.1963 0.0000 173.9452 65 R 4.2258 8.7751 120.5380 54.8707 30.9646 175.7029 66 E 4.2417 8.7487 123.4612 56.5750 30.1602 175.6602 67 N 4.8047 9.3718 125.3988 51.8620 41.3773 174.7427 *69 L 4.1718 8.2489 117.6370 54.6831 43.6560 176.8421 70 A 4.4495 7.0865 116.2549 51.2545 23.3539 175.5111 71 V 4.6424 8.4660 118.8969 61.1460 34.1529 174.8218 72 V 4.2240 9.0827 129.0907 61.5014 33.4631 175.0249 73 G 4.6711 8.7992 116.0967 43.3867 0.0000 170.1198 74 P 4.6804 0.0000 0.0000 64.3989 31.4583 177.2565 75 S 4.0755 9.3321 116.6309 58.4755 62.8883 169.9426 76 E 4.5841 7.9702 120.9682 55.6175 31.3277 175.2606 77 L 5.1357 8.3560 121.3582 54.0057 43.6038 176.1702 78 I 4.4935 8.9068 122.8871 60.0088 40.9842 176.1611 79 G 4.0480 8.8341 113.2782 46.6883 0.0000 175.3046 80 E 3.7945 8.5329 120.8145 59.4219 29.4376 178.1875 81 L 4.3491 7.8635 116.7189 56.6915 40.7739 179.2180 82 S 4.0515 8.0292 116.0766 61.2010 62.3546 175.9409 83 L 3.9068 7.4216 123.3705 57.6947 41.3804 178.5212 84 F 5.0805 7.0119 112.7449 57.6975 40.9829 175.7321 85 D 4.6337 8.1522 117.1572 51.0294 41.4919 171.7516 86 P 4.4058 0.0000 0.0000 63.0033 32.4322 175.1552 87 G 4.1233 8.6334 109.1248 44.6097 0.0000 170.6260 88 P 4.9491 0.0000 0.0000 62.6547 31.9056 176.7211 89 R 3.9538 9.1702 122.9923 56.9401 30.8413 177.4159 90 T 4.3051 8.5532 111.5577 61.8614 69.6610 173.8420 91 A 4.7987 7.4245 122.1564 51.3932 22.5947 175.5763 92 T 4.6227 8.8863 116.8683 62.6357 70.3583 174.3258 93 G 3.9235 8.4384 113.4776 44.5799 0.0000 172.4991 94 T 5.0590 8.5196 120.2568 61.4119 73.1383 173.1438 95 A 4.3108 9.1648 129.4762 52.1730 18.8155 177.9357 96 L 4.4749 8.6983 122.9423 56.4261 42.7005 176.2133 97 T 4.6295 7.4317 112.1988 60.1971 71.4257 172.1708 98 E 4.2356 8.7972 122.7136 56.8024 30.3008 176.6610 99 V 4.6437 9.1748 124.4980 60.9122 35.2840 174.1794 100 K 5.0673 8.9364 125.3391 54.6957 35.2962 175.3033 101 L 5.3436 9.1938 123.6563 53.0186 46.7220 175.0784 102 L 5.2793 9.0734 119.9650 53.0289 44.4803 175.6340 103 A 5.0106 9.0392 125.3110 49.9119 21.7892 175.3860 104 L 4.4763 8.3329 122.8525 53.1709 45.1185 176.1569 105 G 4.2303 8.5866 114.7646 44.1323 0.0000 173.7068 106 H 4.3830 8.9090 122.4086 58.5958 29.5145 177.9260 107 G 3.6868 8.0468 105.0910 46.9956 0.0000 174.2217 108 D 4.6730 7.9614 119.8636 54.9553 41.1138 178.1794 109 L 4.2344 7.8248 122.2963 58.0715 42.2250 178.0414 110 Q 3.9775 8.1233 118.8837 59.0398 27.4387 176.8500 111 P 4.2549 0.0000 0.0000 65.3495 31.1883 178.2502 112 W 4.5110 7.8013 125.9016 60.7604 30.8144 177.7257 113 L 4.0061 8.4692 118.8772 56.9530 40.8248 178.8254 114 N 4.2585 8.5185 116.6766 56.6145 38.6369 177.0586 115 V 3.8915 7.1183 117.3527 64.5283 32.8119 176.2803 116 R 5.2546 7.5751 119.0548 52.9093 29.6708 174.1993 117 P 4.3978 0.0000 0.0000 64.1518 32.2263 177.9781 118 E 3.8999 8.0160 118.8006 59.2928 29.2548 178.9870 119 V 3.6243 7.3594 118.0926 65.5600 31.5786 177.8373 120 A 3.8374 7.7350 120.3197 55.3744 18.1090 179.5183 121 T 3.8394 7.6731 108.0644 64.6204 68.9729 177.0296 122 A 3.9745 7.5187 122.5837 54.8424 18.3918 179.5752 123 L 3.9730 8.1984 117.8553 57.9650 41.6739 179.7500 124 L 3.8335 7.9593 118.9480 57.6412 41.4388 179.5287 125 R 3.8148 8.1757 118.5303 59.2301 29.8900 178.3938 126 A 3.9423 7.8814 120.4659 55.3542 18.4860 179.8718 127 V 3.4868 7.7095 116.5188 65.9672 31.4818 178.1140 128 A 3.9719 8.1761 120.7429 54.9216 18.0483 179.4901 129 R 3.8610 8.2441 117.0937 59.7034 30.3144 179.3675 130 R 3.9282 7.6655 117.4385 59.2472 30.2245 178.8080 131 L 3.9927 7.8542 121.3865 57.5612 41.8776 178.4898 132 R 3.8470 8.3314 118.8508 59.8853 29.9156 178.4772 133 K 3.9828 7.9349 118.0818 59.8952 31.5981 178.9693 134 T 3.8743 7.9174 110.0511 65.1517 68.3430 176.0503 135 N 4.4632 8.1557 120.9791 54.4082 37.5783 176.7446 136 D 4.5828 7.6943 120.9229 56.2129 41.0791 176.4347 137 A 3.8151 7.6080 124.1041 52.4511 18.3795 176.9344 *141 L 4.1448 8.1612 122.1311 55.0962 42.2655 175.3591 142 V 4.0019 7.2017 115.4669 60.2199 33.9351 177.4317 143 F 3.7567 6.5572 117.3636 58.3940 35.5087 176.4695 144 S 4.8655 7.8408 129.9390 58.4621 63.1918 174.4696 145 D 4.8257 7.9237 116.2599 52.1400 40.5888 175.5432 146 G 3.8637 8.2381 106.7191 46.9713 0.0000 174.1158 147 S 4.2613 8.3049 119.4915 58.5616 62.7813 174.7784 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 3 D 8.21 4.64 0.00 2.74 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 4 V 7.78 3.54 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 0.77 0.00 0.00 0.96 0.00 0.00 5 L 8.79 4.25 0.00 1.66 1.77 0.78 0.89 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 6 R 7.72 4.61 0.00 1.94 2.01 0.00 3.21 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.61 0.00 7 R 7.74 4.62 0.00 2.04 1.95 0.00 3.33 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 8 N 7.71 5.01 0.00 2.93 2.87 0.00 0.00 5.87 7.76 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 9 P 0.00 4.28 0.00 2.19 2.23 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 10 L 8.01 3.99 0.00 1.40 1.25 1.05 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.02 5.20 0.00 3.32 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 12 A 8.10 4.46 1.38 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 0.00 0.00 0.00 13 A 7.95 4.41 1.33 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 0.00 0.00 0.00 14 L 7.79 4.42 0.00 1.84 1.70 1.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.84 4.77 0.00 2.98 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 16 D 8.54 4.36 0.00 2.80 2.78 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 17 E 8.18 3.93 0.00 2.04 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 2.41 2.43 0.00 18 Q 9.07 4.30 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 19 S 8.63 4.07 0.00 4.00 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 20 A 8.31 3.93 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 21 E 8.01 3.88 0.00 2.27 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 0.00 2.39 2.57 0.00 22 L 7.99 3.18 0.00 1.42 1.56 -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.73 3.67 0.00 1.71 2.04 0.00 3.28 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 24 A 7.39 4.17 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.53 4.33 0.00 3.46 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 *27 S 7.41 4.28 0.00 3.91 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 28 E 8.64 4.84 0.00 1.87 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 2.28 2.29 0.00 29 V 8.96 4.53 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 1.06 0.00 0.00 1.09 0.00 0.00 30 T 8.61 5.11 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 1.20 0.00 0.00 31 L 8.78 4.85 0.00 1.47 1.44 0.74 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.57 4.97 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 33 R 7.90 4.13 0.00 1.66 1.85 0.00 3.07 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 34 G 9.11 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 35 D 7.87 4.60 0.00 2.78 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 36 T 8.16 4.62 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 1.18 0.00 0.00 37 L 8.51 4.07 0.00 1.20 0.91 0.44 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.02 4.89 0.00 3.01 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 39 H 9.47 5.36 0.00 3.51 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.78 4.24 0.00 1.94 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 2.34 2.30 0.00 41 G 9.12 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.96 4.62 0.00 2.75 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 43 P 0.00 4.52 0.00 1.92 1.97 0.00 3.63 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 2.03 2.10 0.00 44 G 8.93 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 45 D 8.38 5.48 0.00 2.65 2.78 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 46 R 7.95 4.95 0.00 1.61 1.72 0.00 2.94 0.00 0.00 3.01 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.71 0.00 47 L 8.28 4.99 0.00 1.74 1.65 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 9.25 5.21 0.00 2.83 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 49 V 8.65 4.84 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 1.08 0.00 0.00 1.09 0.00 0.00 50 V 8.63 4.09 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 0.91 0.00 0.00 0.93 0.00 0.00 51 T 9.28 4.41 4.39 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 1.22 0.00 0.00 52 E 7.96 4.55 0.00 1.98 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 2.25 2.31 0.00 53 G 8.75 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 54 K 8.06 4.91 0.00 1.64 1.62 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 55 V 8.70 4.72 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 0.71 0.00 0.00 0.80 0.00 0.00 56 K 9.04 4.98 0.00 1.80 1.73 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.39 7.81 57 L 8.78 5.44 0.00 1.65 1.60 0.99 0.84 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 58 H 9.32 5.18 0.00 3.26 3.32 0.00 5.20 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 9.02 5.10 0.00 1.74 1.85 0.00 3.07 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 60 T 8.23 5.19 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 1.28 0.00 0.00 61 S 8.98 4.44 0.00 4.01 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 62 P 0.00 4.35 0.00 2.06 2.16 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 63 D 7.90 4.46 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.28 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 65 R 8.78 4.23 0.00 2.07 1.86 0.00 3.18 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 66 E 8.75 4.24 0.00 1.89 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 0.00 2.29 2.26 0.00 67 N 9.37 4.80 0.00 2.77 2.83 0.00 0.00 6.82 6.54 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 *69 L 8.25 4.17 0.00 1.82 1.78 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.09 4.45 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 71 V 8.47 4.64 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 0.81 0.00 0.00 0.92 0.00 0.00 72 V 9.08 4.22 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 1.03 0.00 0.00 0.95 0.00 0.00 73 G 8.80 4.67 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 74 P 0.00 4.68 0.00 2.06 2.19 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 75 S 9.33 4.08 0.00 4.30 4.15 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 0.00 0.00 0.00 76 E 7.97 4.58 0.00 2.09 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 2.30 2.30 0.00 77 L 8.36 5.14 0.00 1.54 1.61 0.88 0.81 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 78 I 8.91 4.49 2.16 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 1.27 0.00 0.00 79 G 8.83 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 80 E 8.53 3.79 0.00 2.03 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 2.44 2.38 0.00 81 L 7.86 4.35 0.00 1.76 1.77 0.96 1.07 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 82 S 8.03 4.05 0.00 3.94 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 83 L 7.42 3.91 0.00 1.36 0.92 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 84 F 7.01 5.08 0.00 3.10 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.15 4.63 0.00 2.61 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 86 P 0.00 4.41 0.00 1.90 2.00 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.09 0.00 87 G 8.63 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 0.00 0.00 0.00 0.00 88 P 0.00 4.95 0.00 2.06 2.06 0.00 3.76 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 1.97 1.99 0.00 89 R 9.17 3.95 0.00 1.78 1.81 0.00 2.21 0.00 0.00 2.78 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.00 90 T 8.55 4.31 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 1.20 0.00 0.00 91 A 7.42 4.80 1.33 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 0.00 0.00 0.00 92 T 8.89 4.62 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 1.29 0.00 0.00 93 G 8.44 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 94 T 8.52 5.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 95 A 9.16 4.31 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 96 L 8.70 4.47 0.00 1.66 1.70 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.43 4.63 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 1.18 0.00 0.00 98 E 8.80 4.24 0.00 1.91 1.86 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 2.38 2.25 0.00 99 V 9.17 4.64 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 100 K 8.94 5.07 0.00 1.68 1.65 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.55 7.81 101 L 9.19 5.34 0.00 1.69 1.78 0.88 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.07 5.28 0.00 1.56 1.51 0.91 0.73 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 0.00 103 A 9.04 5.01 1.01 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 0.00 0.00 104 L 8.33 4.48 0.00 1.59 1.38 0.66 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.59 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 0.00 0.00 0.00 0.00 106 H 8.91 4.38 0.00 3.23 3.33 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 0.00 107 G 8.05 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 0.00 108 D 7.96 4.67 0.00 2.82 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 0.00 109 L 7.82 4.23 0.00 1.88 1.81 1.31 0.74 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 0.00 110 Q 8.12 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 111 P 0.00 4.25 0.00 2.26 2.13 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 112 W 7.80 4.51 0.00 3.17 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.01 0.00 1.64 1.56 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.52 4.26 0.00 2.82 2.90 0.00 0.00 6.94 8.05 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 0.00 115 V 7.12 3.89 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 0.84 0.00 0.00 1.01 0.00 0.00 116 R 7.58 5.25 0.00 1.63 1.64 0.00 3.37 0.00 0.00 3.46 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 117 P 0.00 4.40 0.00 2.29 2.23 0.00 3.38 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 118 E 8.02 3.90 0.00 2.03 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 2.37 2.39 0.00 119 V 7.36 3.62 1.67 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 0.44 0.00 0.00 0.81 0.00 0.00 120 A 7.73 3.84 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 0.00 121 T 7.67 3.84 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 122 A 7.52 3.97 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 0.00 123 L 8.20 3.97 0.00 1.78 1.68 1.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.96 3.83 0.00 1.81 1.64 0.89 0.56 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 0.00 125 R 8.18 3.81 0.00 1.95 2.07 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 126 A 7.88 3.94 1.38 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 0.00 0.00 0.00 127 V 7.71 3.49 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 0.91 0.00 0.00 0.73 0.00 0.00 128 A 8.18 3.97 1.33 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 0.00 0.00 0.00 129 R 8.24 3.86 0.00 2.06 2.01 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 130 R 7.67 3.93 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 131 L 7.85 3.99 0.00 1.75 1.79 0.91 0.51 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 0.00 132 R 8.33 3.85 0.00 2.02 2.15 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 133 K 7.93 3.98 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.45 7.81 134 T 7.92 3.87 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 1.27 0.00 0.00 135 N 8.16 4.46 0.00 2.91 3.00 0.00 0.00 7.19 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 0.00 136 D 7.69 4.58 0.00 2.83 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 0.00 137 A 7.61 3.82 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 *141 L 8.16 4.14 0.00 1.68 1.72 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.20 4.00 1.97 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 0.53 0.00 0.00 0.89 0.00 0.00 143 F 6.56 3.76 0.00 3.07 3.58 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 0.00 144 S 7.84 4.87 0.00 3.84 3.86 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 0.00 145 D 7.92 4.83 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.24 3.86 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 0.00 0.00 0.00 147 S 8.30 4.26 0.00 3.74 3.63 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 * Residues marked with a * may have inaccurate shift predictions.