NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3338 8.2493 123.5830 51.5411 20.3687 176.8623 6 Q 3.9639 8.0223 115.8178 56.2224 29.1032 170.2297 7 V 4.4519 8.9833 120.3376 61.4139 35.2384 176.3962 8 R 4.6291 9.1832 127.7548 53.5010 31.6716 173.4764 9 P 4.8290 0.0000 0.0000 61.3070 32.6567 174.7389 10 P 4.3860 0.0000 0.0000 62.7866 31.9146 175.9947 11 L 4.6131 8.0075 121.1221 52.1008 43.8418 174.8904 12 P 3.4495 0.0000 0.0000 61.2047 32.1597 174.1656 13 P 4.4081 0.0000 0.0000 62.8059 32.0338 176.0581 14 F 4.7614 8.5026 121.3407 57.4251 40.3767 174.5835 15 T 4.5889 8.6518 110.9470 59.6237 71.9254 175.3297 16 R 3.1580 8.5232 120.4494 59.4605 30.0011 178.0458 17 E 3.9166 7.9927 117.9825 59.4946 29.4719 179.4230 18 S 4.1599 8.1631 113.9243 61.0386 63.0639 176.4317 19 A 3.4406 7.8550 124.7344 54.9020 18.0762 179.5993 20 I 3.5673 7.6224 118.3547 64.4139 37.1326 178.3470 21 E 3.8974 8.0705 120.1683 59.0566 29.5518 178.6666 22 K 3.8452 8.2333 120.0675 59.6206 32.0945 178.8591 23 I 4.1321 8.0214 120.2241 64.3852 36.9356 178.4078 24 R 3.8991 8.1179 119.6038 59.4526 29.9328 178.5874 25 L 3.9799 8.1401 118.6124 57.6662 41.5103 179.4118 26 A 4.1051 8.0696 120.6930 55.0763 18.2894 179.1886 27 E 3.9985 8.6826 118.2645 59.6894 29.4954 178.7210 28 D 4.5048 8.3299 118.0310 57.2919 41.1930 178.8109 29 G 3.8610 8.2915 106.0642 47.9217 0.0000 175.8956 30 W 4.3598 8.9194 122.2661 59.1651 28.9865 177.8357 31 N 4.9268 8.8141 115.5502 54.7719 37.8083 176.6745 32 S 4.2026 7.9030 115.4290 58.3399 63.6043 174.1865 33 R 2.0000 6.6913 119.9788 55.9869 27.9524 176.3768 34 D 4.5665 6.8026 117.8014 51.7709 42.0649 173.3607 35 P 4.2765 0.0000 0.0000 65.6553 30.8924 177.9877 36 E 3.8447 8.1427 117.1937 59.2718 29.4641 178.4371 37 R 3.8719 8.0026 117.2096 59.6067 30.4560 178.2600 38 V 3.7377 7.9698 118.2576 66.0006 31.5121 178.0457 39 S 4.3543 8.3528 114.1143 61.4955 62.4520 176.2490 40 L 4.1746 7.5548 120.0050 56.5978 41.5758 178.2145 41 A 4.1366 8.1024 120.1496 52.2202 18.6671 176.2181 42 Y 4.7568 7.1709 115.0319 55.5929 40.5913 176.0066 43 T 4.1774 8.3100 112.3234 61.4158 69.7424 175.2858 44 L 4.0242 8.6616 122.6993 57.4804 41.7703 178.0430 45 D 5.1932 7.7454 116.8246 52.9048 39.9025 176.8986 46 T 4.2314 7.7883 113.8340 63.9508 68.3404 172.8712 47 Q 4.9295 9.2749 127.0409 54.0923 31.3533 174.6835 48 W 5.2671 9.3763 123.9636 54.7566 33.6426 174.6222 49 R 4.5078 8.6623 122.4894 54.5753 32.8498 173.3637 50 N 5.0930 8.9026 125.9923 51.2080 41.2848 174.6897 51 R 3.5853 8.7921 128.1278 57.9169 29.4200 177.1697 52 A 4.5534 8.7606 128.4487 52.5834 19.1764 176.1691 53 E 4.7693 8.0683 119.6474 55.4965 31.8423 175.0677 54 F 5.1795 8.7415 122.5469 55.6032 42.2558 174.6911 55 A 4.6985 8.6780 125.0173 51.0298 21.7296 176.4767 56 H 5.0175 9.1804 117.8915 55.0462 29.9506 173.7177 57 N 4.6697 7.2875 116.7265 50.9197 40.5847 175.0189 58 R 3.6722 8.4291 121.1004 59.5844 29.9563 178.1436 59 E 3.8380 8.0495 118.5567 59.2316 29.7116 178.5142 60 E 3.8372 8.6193 118.7183 59.0943 29.4394 179.1470 61 A 3.1159 7.4477 120.9299 54.5700 18.1358 179.5939 62 K 3.6804 8.0782 118.3227 59.4614 32.2262 178.8888 63 A 3.8733 8.0149 121.1887 54.9730 18.2075 179.3672 64 F 3.9186 8.0592 119.1168 61.4543 39.4806 177.4317 65 L 3.1120 7.8240 118.5393 57.5966 41.0425 179.6824 66 T 3.8135 7.5689 115.1162 66.6209 68.7665 176.6442 67 R 3.8885 7.6151 119.9637 58.8054 30.0550 178.7108 68 K 3.2507 7.4030 119.7925 59.1860 31.7618 178.0055 69 W 4.5585 7.2484 114.8550 57.1015 29.1651 177.3441 70 A 4.4119 7.5327 120.6707 52.4556 18.8654 177.9931 71 K 4.1717 7.5895 116.7172 57.6712 33.5635 176.1572 72 E 4.4382 8.1509 120.8192 55.0426 28.4365 175.6550 73 L 4.3659 8.7261 124.3479 54.9907 42.9927 176.9802 74 D 4.6962 8.6979 119.3599 55.6044 38.3670 173.8172 75 Y 4.8163 8.2004 119.1067 57.9529 40.0601 175.3488 76 R 4.9005 8.9747 125.1124 54.3915 33.9804 174.0023 77 L 5.4563 9.7133 125.8978 53.3560 45.4941 175.6264 78 I 4.7604 8.8343 124.4510 59.6472 40.7558 174.6390 79 K 5.2175 9.1696 126.4020 55.0231 34.9956 175.4078 80 E 4.7315 9.0012 122.1362 54.6149 33.4921 174.1747 81 L 4.2125 8.6846 128.6537 55.6671 42.4668 174.9085 82 W 4.8257 9.1026 134.2130 58.3599 32.3244 175.2034 83 A 4.8045 7.8482 118.8049 51.1609 22.3680 173.9102 84 F 5.3722 8.0055 112.6330 56.5083 41.1999 174.5745 85 T 4.4611 9.5442 116.9307 63.8964 73.9497 174.4996 86 D 4.4568 8.8597 127.9509 55.8837 40.2840 174.5995 87 N 4.8658 9.2058 125.8422 53.4978 37.7223 173.7693 88 R 5.5385 8.6258 118.4727 55.0900 33.5035 175.0083 89 I 5.1985 9.1512 122.1006 59.5774 41.7700 173.9921 90 A 4.9096 9.3479 128.0304 50.1394 21.2941 175.5822 91 V 4.6378 8.5003 122.7578 61.0555 34.8564 174.5146 92 R 5.2052 8.8889 126.0043 55.0543 33.1954 174.5730 93 Y 5.4315 8.7220 119.0186 56.8197 42.1265 172.8296 94 A 5.2328 9.1445 120.3210 50.9455 23.2702 174.9704 95 Y 5.5866 8.9412 118.4223 55.6167 41.9310 173.8627 96 E 5.4684 9.2433 121.7773 54.9397 32.7134 174.9709 97 W 5.2147 8.6635 119.0682 56.6295 32.3258 172.3657 98 H 4.8510 8.6180 114.5808 53.8344 31.6658 172.9916 99 D 5.3229 8.5653 120.3707 51.8828 42.2491 176.0419 100 D 4.9269 8.5769 116.0223 53.9774 39.3550 176.9234 101 S 4.5401 8.8940 113.9290 58.7693 63.8786 175.1351 102 G 3.8053 8.0979 109.0410 45.0727 0.0000 172.9416 103 N 4.4849 8.0063 117.8765 51.9594 39.9034 174.4334 104 W 4.6845 8.3192 123.6424 55.7881 31.5175 175.3677 105 F 5.0231 8.9328 120.4435 55.8622 43.5484 173.4497 106 R 4.8259 8.6157 120.3689 54.8032 32.3151 174.5312 107 S 4.9275 9.0335 123.0129 57.1072 65.2809 172.6393 108 Y 4.8061 9.1549 122.5174 56.2242 40.1418 175.1891 109 G 3.8027 8.6689 110.3319 44.2362 0.0000 170.9353 110 N 5.5218 8.7859 117.2592 51.1112 42.2556 173.5184 111 E 5.2614 9.4220 122.0111 54.5281 33.2057 174.3596 112 N 5.3307 9.4337 120.6821 51.3510 41.3489 173.6375 113 W 5.3456 9.3206 123.7927 54.8860 32.6896 174.4660 114 E 5.1586 8.5776 123.0675 54.6963 32.1819 174.2588 115 F 5.3837 9.3633 125.8397 55.8045 42.0836 175.4576 116 D 4.8190 9.0323 122.0966 52.1027 40.8897 177.1658 117 E 4.0586 8.6389 117.7566 58.9004 29.5763 178.0458 118 Q 4.2471 8.6636 117.3158 55.6317 29.0201 177.1638 119 G 4.3269 8.2872 106.1420 46.6738 0.0000 174.0240 120 L 5.0621 7.7114 123.8900 53.7764 40.2576 179.2672 *122 A 4.5689 8.5246 128.4692 52.5110 21.2999 176.1274 123 R 4.9661 7.8434 113.3203 54.4704 34.8957 174.9238 124 R 4.6282 8.4149 122.7170 54.6441 33.4834 173.6752 125 F 5.2600 9.1505 125.6838 55.8233 41.5137 174.1718 126 A 5.2937 9.1103 126.5139 50.1318 22.0495 174.4072 127 C 5.1091 8.9740 119.3802 57.9900 31.6175 173.3851 128 I 5.1511 8.2799 122.5253 59.8332 41.0214 174.1623 129 N 5.1245 9.2859 122.9641 51.8178 42.5211 173.6461 130 D 5.0771 8.4322 121.2317 52.0895 44.3000 173.3387 *132 P 4.2317 0.0000 0.0000 62.8998 32.2905 176.3938 133 I 4.7856 8.1101 115.9534 59.0499 41.0810 174.9378 134 K 4.2699 9.2349 122.5010 55.4945 33.4021 178.0529 135 A 3.0986 8.6709 125.8745 55.2377 18.2861 180.0296 136 Q 3.9830 7.7338 111.6826 58.3945 28.8340 176.6642 137 E 4.2108 7.8509 117.2616 56.4686 29.8764 176.9379 138 R 3.9243 7.2856 118.9913 56.3053 30.3936 176.6639 139 K 4.3425 8.6083 120.6477 56.3196 33.7651 176.3390 140 F 5.1583 7.8256 118.1086 56.5271 39.4039 175.6073 141 H 4.9051 8.7549 125.8633 55.0330 29.7887 173.4099 142 W 4.9020 7.4708 115.3539 53.9324 30.2352 173.9486 143 P 4.3558 0.0000 0.0000 62.3209 31.1123 176.5352 144 L 3.8716 8.6094 122.1586 55.1896 42.4403 176.5373 145 G 3.9428 9.1230 110.8644 44.3199 0.0000 172.6857 146 R 3.8663 8.4504 123.2395 56.2788 30.6105 177.0991 147 R 2.5100 8.0105 125.4761 54.6420 30.6387 174.4032 148 P 4.2882 0.0000 0.0000 62.7026 31.9081 177.2010 149 D 4.3810 8.4975 120.9578 56.9184 40.9026 177.3760 150 D 4.4966 7.8766 116.8865 54.6532 40.1132 175.9910 151 H 4.3725 7.7834 120.8978 54.7830 30.4490 173.1369 152 P 4.4333 0.0000 0.0000 62.7585 31.9560 176.4876 153 G 3.9471 9.4106 111.1465 44.2655 0.0000 174.4319 154 L 4.0338 8.7164 120.1015 58.5462 41.7446 178.8689 155 S 4.5049 8.3418 110.8083 59.8125 62.8148 174.5394 156 E 4.6160 8.1744 119.2143 56.2080 29.7517 176.1551 157 L 4.6614 7.8930 117.7774 53.6832 41.9875 176.8540 158 G 4.3544 8.3847 105.0768 45.9849 0.0000 173.9075 159 L 4.2340 7.4689 123.7550 55.0604 41.6994 177.3767 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 5 A 8.25 4.33 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 6 Q 8.02 3.96 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 7 V 8.98 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 8 R 9.18 4.63 0.00 1.71 1.79 0.00 3.44 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 9 P 0.00 4.83 0.00 2.06 2.03 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 10 P 0.00 4.39 0.00 2.20 2.10 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 11 L 8.01 4.61 0.00 1.51 1.46 0.89 1.06 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 12 P 0.00 3.45 0.00 1.92 1.43 0.00 3.61 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 13 P 0.00 4.41 0.00 2.11 2.07 0.00 3.66 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 1.94 1.97 0.00 14 F 8.50 4.76 0.00 2.98 2.74 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 15 T 8.65 4.59 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 1.23 0.00 0.00 16 R 8.52 3.16 0.00 2.08 1.97 0.00 3.27 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 17 E 7.99 3.92 0.00 2.05 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 2.38 2.40 0.00 18 S 8.16 4.16 0.00 4.13 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 0.00 19 A 7.86 3.44 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.62 3.57 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 0.88 0.00 0.00 21 E 8.07 3.90 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 22 K 8.23 3.85 0.00 1.76 1.69 0.00 1.40 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.62 1.31 7.81 23 I 8.02 4.13 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.94 0.00 0.00 24 R 8.12 3.90 0.00 2.02 1.91 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 25 L 8.14 3.98 0.00 1.88 1.70 0.90 0.56 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 26 A 8.07 4.11 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.68 4.00 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 28 D 8.33 4.50 0.00 2.90 2.74 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 29 G 8.29 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 30 W 8.92 4.36 0.00 3.59 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 31 N 8.81 4.93 0.00 3.12 3.14 0.00 0.00 6.66 7.36 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 32 S 7.90 4.20 0.00 3.93 3.93 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 33 R 6.69 2.00 0.00 1.34 0.92 0.00 2.92 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 34 D 6.80 4.57 0.00 2.47 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.28 0.00 2.17 2.21 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 36 E 8.14 3.84 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 2.35 2.41 0.00 37 R 8.00 3.87 0.00 1.81 2.03 0.00 3.29 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 1.62 1.63 0.00 38 V 7.97 3.74 1.96 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 0.41 0.00 0.00 0.82 0.00 0.00 39 S 8.35 4.35 0.00 4.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.17 0.00 1.80 1.78 0.92 0.78 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 41 A 8.10 4.14 1.07 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 0.00 0.00 42 Y 7.17 4.76 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.31 4.18 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 1.33 0.00 0.00 44 L 8.66 4.02 0.00 1.74 1.77 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.75 5.19 0.00 2.68 2.74 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 46 T 7.79 4.23 4.69 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 0.99 0.00 0.00 47 Q 9.27 4.93 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 48 W 9.38 5.27 0.00 2.89 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 49 R 8.66 4.51 0.00 1.76 1.79 0.00 2.90 0.00 0.00 3.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 50 N 8.90 5.09 0.00 2.40 2.14 0.00 0.00 6.76 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 51 R 8.79 3.59 0.00 1.99 1.18 0.00 3.28 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 52 A 8.76 4.55 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 53 E 8.07 4.77 0.00 1.98 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 0.00 2.20 2.29 0.00 54 F 8.74 5.18 0.00 2.97 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 55 A 8.68 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.18 5.02 0.00 3.03 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.29 4.67 0.00 3.05 2.85 0.00 0.00 5.81 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 58 R 8.43 3.67 0.00 2.07 1.93 0.00 3.09 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 59 E 8.05 3.84 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 60 E 8.62 3.84 0.00 1.98 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 2.26 2.52 0.00 61 A 7.45 3.12 -0.18 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 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.08 3.68 0.00 1.76 1.85 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.52 7.81 63 A 8.01 3.87 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 64 F 8.06 3.92 0.00 3.04 3.03 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 0.00 0.00 0.00 65 L 7.82 3.11 0.00 1.66 1.35 0.69 -0.15 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 66 T 7.57 3.81 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 1.15 0.00 0.00 67 R 7.62 3.89 0.00 1.73 1.77 0.00 3.08 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 68 K 7.40 3.25 0.00 0.79 0.76 0.00 1.02 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.82 7.81 69 W 7.25 4.56 0.00 3.35 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 70 A 7.53 4.41 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 71 K 7.59 4.17 0.00 1.61 1.87 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.25 1.42 7.81 72 E 8.15 4.44 0.00 1.84 1.69 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 1.47 1.83 0.00 73 L 8.73 4.37 0.00 1.42 1.50 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.70 4.70 0.00 2.86 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 75 Y 8.20 4.82 0.00 3.40 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 76 R 8.97 4.90 0.00 1.72 1.11 0.00 2.77 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.39 0.00 77 L 9.71 5.46 0.00 1.44 1.88 1.20 1.11 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 78 I 8.83 4.76 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.10 0.90 0.00 0.00 79 K 9.17 5.22 0.00 1.64 1.70 0.00 2.04 0.00 0.00 1.83 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.22 1.34 7.81 80 E 9.00 4.73 0.00 2.05 1.82 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 2.29 2.30 0.00 81 L 8.68 4.21 0.00 1.65 1.56 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 W 9.10 4.83 0.00 3.36 3.16 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 83 A 7.85 4.80 1.14 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 84 F 8.01 5.37 0.00 3.23 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 9.54 4.46 4.30 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 1.22 0.00 0.00 86 D 8.86 4.46 0.00 2.95 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 0.00 0.00 0.00 87 N 9.21 4.87 0.00 3.19 3.08 0.00 0.00 5.77 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 88 R 8.63 5.54 0.00 2.08 2.02 0.00 3.18 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 89 I 9.15 5.20 2.15 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.90 0.80 0.00 0.00 90 A 9.35 4.91 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 91 V 8.50 4.64 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 0.87 0.00 0.00 -0.53 0.00 0.00 92 R 8.89 5.21 0.00 1.84 1.82 0.00 2.53 0.00 0.00 2.67 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 93 Y 8.72 5.43 0.00 3.19 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 94 A 9.14 5.23 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 95 Y 8.94 5.59 0.00 2.78 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 96 E 9.24 5.47 0.00 2.04 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 1.97 1.66 0.00 97 W 8.66 5.21 0.00 3.78 3.47 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 0.00 98 H 8.62 4.85 0.00 2.35 1.31 0.00 5.45 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.57 5.32 0.00 3.02 3.22 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 0.00 100 D 8.58 4.93 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 0.00 101 S 8.89 4.54 0.00 4.12 3.90 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 0.00 102 G 8.10 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 0.00 103 N 8.01 4.48 0.00 2.79 2.15 0.00 0.00 7.03 7.68 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 0.00 104 W 8.32 4.68 0.00 3.24 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 0.00 105 F 8.93 5.02 0.00 1.70 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 0.00 106 R 8.62 4.83 0.00 1.58 1.65 0.00 2.87 0.00 0.00 2.79 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.22 0.00 107 S 9.03 4.93 0.00 2.72 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 0.00 108 Y 9.15 4.81 0.00 2.77 2.74 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 0.00 109 G 8.67 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 0.00 110 N 8.79 5.52 0.00 2.54 2.58 0.00 0.00 6.87 6.99 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 0.00 111 E 9.42 5.26 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.72 0.00 112 N 9.43 5.33 0.00 2.81 2.88 0.00 0.00 6.59 7.50 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 0.00 113 W 9.32 5.35 0.00 3.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.58 5.16 0.00 2.15 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 2.29 2.40 0.00 115 F 9.36 5.38 0.00 3.16 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 0.00 116 D 9.03 4.82 0.00 2.93 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 0.00 117 E 8.64 4.06 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 118 Q 8.66 4.25 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.55 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 119 G 8.29 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 0.00 0.00 0.00 0.00 120 L 7.71 5.06 0.00 2.08 0.99 0.95 1.19 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 *122 A 8.52 4.57 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 0.00 123 R 7.84 4.97 0.00 1.63 1.48 0.00 3.28 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 124 R 8.41 4.63 0.00 1.22 0.66 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.00 125 F 9.15 5.26 0.00 3.02 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 9.11 5.29 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 0.00 127 C 8.97 5.11 0.00 2.82 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 0.00 128 I 8.28 5.15 1.95 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.95 0.00 0.00 129 N 9.29 5.12 0.00 2.66 2.67 0.00 0.00 6.64 8.91 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 0.00 130 D 8.43 5.08 0.00 2.53 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 *132 P 0.00 4.23 0.00 1.90 1.80 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.36 0.00 133 I 8.11 4.79 1.76 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 1.15 0.58 0.87 0.00 0.00 134 K 9.23 4.27 0.00 1.61 1.86 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.33 7.81 135 A 8.67 3.10 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 0.00 136 Q 7.73 3.98 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.96 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 137 E 7.85 4.21 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 2.24 2.18 0.00 138 R 7.29 3.92 0.00 1.54 1.49 0.00 2.21 0.00 0.00 2.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.99 0.00 139 K 8.61 4.34 0.00 1.35 1.92 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.39 7.81 140 F 7.83 5.16 0.00 2.67 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 0.00 0.00 0.00 141 H 8.75 4.91 0.00 3.18 3.25 0.00 5.69 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 0.00 142 W 7.47 4.90 0.00 3.40 3.29 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 0.00 143 P 0.00 4.36 0.00 2.20 2.13 0.00 3.98 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 2.14 2.22 0.00 144 L 8.61 3.87 0.00 1.68 1.72 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 145 G 9.12 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.45 3.87 0.00 1.78 1.84 0.00 3.22 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 147 R 8.01 2.51 0.00 0.67 1.33 0.00 2.74 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 148 P 0.00 4.29 0.00 2.19 2.00 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 149 D 8.50 4.38 0.00 2.63 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 0.00 150 D 7.88 4.50 0.00 2.78 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 0.00 151 H 7.78 4.37 0.00 3.09 3.09 0.00 5.77 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.43 0.00 2.13 2.01 0.00 3.36 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 153 G 9.41 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.72 4.03 0.00 1.82 2.11 1.14 1.04 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 0.00 155 S 8.34 4.50 0.00 4.07 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 0.00 156 E 8.17 4.62 0.00 2.11 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 2.29 2.29 0.00 157 L 7.89 4.66 0.00 1.89 1.80 1.37 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.38 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 0.00 0.00 0.00 0.00 159 L 7.47 4.23 0.00 1.92 1.84 1.11 0.84 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 * Residues marked with a * may have inaccurate shift predictions.