NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.5935 8.4293 117.8176 56.3870 30.2526 172.0937 -3 H 4.8288 7.6590 112.9491 53.5895 31.7133 170.3484 -2 H 5.1455 8.9951 116.9580 53.6324 34.2550 173.4336 -1 H 4.9894 8.6290 115.9293 54.3433 30.6685 174.0893 0 H 6.0426 8.3555 119.9360 53.5965 32.4317 172.3116 -2 R 4.7555 8.8051 119.2580 54.6324 36.1550 175.6336 -1 V 4.3794 8.2390 116.9293 61.5433 34.5685 176.2893 0 E 5.6626 8.3555 121.9360 55.1965 33.3317 174.8116 5 L 4.4537 8.6076 126.8145 53.0069 44.1120 175.3257 6 L 4.5528 8.2121 125.3298 53.2380 43.5460 176.4817 7 F 5.0827 8.1986 123.9880 55.2332 41.1804 175.7080 8 E 4.1345 9.1733 117.9207 59.5156 29.4388 178.1841 9 S 4.5158 8.3083 112.1214 58.1332 63.8165 173.8698 10 G 4.0138 7.4786 107.6490 46.1258 0.0000 171.7068 11 K 5.2496 8.5540 116.7862 56.4916 35.8453 174.3555 12 C 4.9543 8.9211 115.3534 57.2363 33.9797 172.5069 13 V 5.0033 9.0563 119.0161 60.9936 34.0044 174.2051 14 I 5.0899 8.5027 119.8327 59.1212 40.9112 173.8822 15 D 5.0411 9.3763 123.6940 52.6285 43.3669 174.5963 16 L 5.2854 8.5932 125.4956 52.8902 44.4557 175.4719 17 N 4.4338 9.2569 123.1670 53.0452 39.5557 175.5862 18 E 4.3170 9.0474 125.3965 57.8478 30.0156 177.8296 19 E 3.9546 8.3126 118.7724 58.8204 29.8991 177.5124 20 Y 4.6096 7.4668 117.3645 56.7942 39.7031 175.7246 21 E 3.9241 9.4236 126.3514 59.6181 29.8144 179.6307 22 V 3.4428 7.7956 118.4424 64.8163 31.0634 178.3519 23 V 3.6174 7.7625 118.2711 65.6446 31.2629 177.8611 24 K 3.9487 7.7794 117.1312 59.6430 31.9215 179.0274 25 L 4.1487 8.0717 119.0787 57.6454 41.4961 179.3172 26 L 4.0291 8.4904 119.3267 57.8612 41.3006 179.2982 27 K 4.0003 8.3890 119.5502 59.9436 31.8760 178.3554 28 E 4.2654 7.9251 116.4472 58.2392 29.4848 178.3230 29 K 4.3608 7.9546 117.2213 56.0285 33.0706 176.9954 30 I 3.9003 6.9961 119.9789 60.3477 37.5130 173.8641 31 P 4.6855 0.0000 0.0000 62.6600 32.4087 175.1902 32 F 5.0898 8.2197 116.6498 55.7954 41.9627 172.6139 33 E 5.0058 8.8341 117.3834 55.1900 33.4217 175.2565 34 S 4.6396 8.5041 114.5146 57.7743 66.2837 172.3179 35 V 4.7943 8.2861 118.5684 61.1629 34.1439 175.6502 36 V 4.3823 9.0264 127.5057 62.3710 33.0944 174.4322 37 N 5.5215 8.7653 123.4588 51.5407 42.7938 173.2561 38 T 5.2436 9.2697 110.4690 60.1618 72.2956 174.3739 39 W 5.1510 9.0784 132.6531 56.6458 32.4420 175.9168 40 G 3.5472 7.9217 118.0051 46.8440 0.0000 173.2306 41 E 3.8838 8.8276 118.7252 55.5278 28.6093 175.2408 42 E 4.6271 7.6505 119.6591 54.4028 33.7436 174.6786 43 I 5.2495 8.6932 127.5017 59.9232 39.8936 174.2693 44 Y 5.4650 8.9538 123.8662 55.8117 41.9376 173.8009 45 F 5.3459 8.5157 114.7712 55.5997 41.5956 173.8400 46 S 5.2204 8.9955 115.9066 58.8589 64.1503 173.0372 47 T 4.8484 8.6056 110.7743 58.8366 72.6620 171.6850 48 P 4.8061 0.0000 0.0000 63.0687 31.6191 175.9296 49 V 4.2578 7.4867 117.5567 61.8424 33.8034 174.5466 50 N 4.8674 8.6903 124.8399 51.5430 39.4424 172.6870 51 V 4.3527 8.4903 123.8692 60.9412 33.6012 175.4712 52 Q 4.1661 8.9023 129.1526 58.6918 29.2758 177.3030 53 K 4.2855 7.5926 117.8304 53.8949 33.2811 178.7818 *55 E 4.5116 8.5249 113.2217 57.7302 31.9330 175.9032 56 N 5.2656 8.7090 116.4604 51.5498 38.1174 172.4635 57 P 5.0016 0.0000 0.0000 63.0159 33.1282 177.8738 58 R 4.6922 9.0398 121.3453 54.8158 33.8420 175.5034 59 E 4.5342 9.0536 121.3754 56.5100 30.7531 176.0614 60 V 4.5876 7.6250 118.3718 61.0966 34.8438 174.4095 61 V 4.5231 8.4206 118.4803 59.8040 35.9512 174.4115 62 E 4.6910 9.2553 120.5118 54.0855 31.9238 176.1335 63 I 3.7602 8.2594 121.4726 63.6922 37.6670 176.6308 64 G 4.1127 9.7232 113.9388 45.0733 0.0000 173.0161 65 D 4.9565 8.3444 120.5870 54.5314 42.2968 175.4236 66 V 4.8780 9.0017 122.8030 61.3069 33.7114 174.7812 67 G 4.6883 9.4776 114.9883 44.6132 0.0000 170.6515 68 Y 5.3117 9.0315 122.5222 55.3445 41.5837 174.3123 69 W 4.7665 8.4722 135.0000 54.9801 32.0231 174.0133 70 P 3.9330 0.0000 0.0000 64.9065 31.0797 177.3766 71 P 3.7549 0.0000 0.0000 64.4961 31.0727 177.1826 72 G 3.9458 6.6681 103.6083 44.0570 0.0000 172.9652 73 K 3.5271 7.3250 118.0597 57.1644 30.5544 173.9928 74 A 5.2537 7.3491 118.8989 50.1431 21.8635 177.1541 75 L 4.6762 8.3042 122.6819 54.5554 43.1611 175.8713 76 C 5.1821 9.3678 121.1338 57.7832 32.0797 172.8907 77 L 4.9173 8.9684 123.3812 53.0758 44.2528 175.5294 78 F 4.9154 9.2766 124.4421 55.8157 40.1939 175.9693 79 F 5.0196 8.6140 118.3946 55.5180 38.8270 175.7822 80 G 4.0690 7.0690 105.0485 45.9780 0.0000 172.7880 81 K 4.0287 7.7843 118.5171 56.3756 32.6556 177.0221 82 T 4.2583 7.6767 112.8807 59.7012 70.2150 174.0066 83 P 4.0591 0.0000 0.0000 61.7055 30.2303 177.1212 *85 S 4.1141 7.9359 113.5940 59.1005 64.3782 173.0125 *86 D 4.6887 8.8918 123.9593 55.4174 41.3331 175.5241 87 D 4.9342 7.6990 115.1034 52.0236 40.4740 177.2285 88 K 4.4839 7.3220 116.7404 57.2580 35.5149 174.7632 89 I 4.1131 8.0583 121.6524 60.3366 38.4246 174.8285 90 Q 4.7381 8.3933 129.0330 53.2399 30.7469 173.4520 91 P 4.6798 0.0000 0.0000 62.2752 32.2915 176.3316 92 A 4.2076 8.5500 122.5988 55.0516 18.2133 177.3124 93 S 4.8590 7.5809 106.6447 56.2825 66.7787 173.4859 94 A 4.3420 8.7645 120.9179 53.1520 18.3992 177.4562 95 V 4.7097 8.4929 114.0206 59.3509 35.9142 174.6598 96 N 4.8694 9.1817 122.9271 53.0861 39.8226 174.4095 97 V 4.4835 8.3746 128.4447 62.4098 31.7281 175.4498 98 I 3.9311 8.9487 121.2778 59.9034 39.1944 176.0074 99 G 3.8232 7.1546 109.2323 46.3836 0.0000 171.3830 100 K 5.1633 7.8685 117.4617 54.6637 36.9729 176.1342 101 I 4.3761 9.0748 125.8017 61.8356 36.8861 176.3101 102 V 4.4123 8.9336 120.2024 61.5703 33.9242 175.8088 103 E 4.4834 8.1649 120.7853 55.8861 33.2959 175.6137 104 G 3.9501 9.1414 114.1426 45.7300 0.0000 174.5561 105 L 3.9120 8.1607 122.6819 58.3422 42.0995 179.0411 106 E 4.0310 8.1315 117.4480 59.1421 29.4263 178.7535 107 D 4.4394 7.8855 118.5984 57.0573 40.7457 178.6602 108 L 3.5670 7.4852 119.6796 57.1694 41.1534 179.3706 109 K 4.1039 7.0066 116.2340 58.6111 32.0053 178.5290 110 K 4.1876 7.4776 117.0566 56.2036 32.5978 176.7721 111 I 4.1155 6.9303 121.1553 60.2243 38.2684 175.4161 112 K 4.5701 8.4487 124.2358 54.1847 34.0554 175.7525 113 D 4.5740 8.4617 121.1801 56.5481 41.1077 177.4581 114 G 3.9996 9.3269 112.4751 45.0330 0.0000 173.8236 115 E 4.2666 7.7352 119.3471 56.6501 30.3381 177.0437 116 K 4.6944 9.4566 123.5783 56.3851 33.6873 176.3911 117 V 4.4473 8.5495 122.1368 59.7358 34.7027 174.0312 118 A 4.6326 8.4389 125.2550 50.0935 21.5089 175.5043 119 V 4.2498 8.2480 122.7900 61.0917 33.2424 174.8773 120 R 4.4111 8.0290 125.4051 53.8993 34.3890 175.0427 121 F 4.4748 8.1850 119.9496 58.1131 39.6301 175.4182 122 A 4.4986 8.5507 125.0110 50.7030 20.8681 177.5590 123 S 4.2737 8.4449 113.1932 59.1845 63.0417 174.6944 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 -4 H 8.43 4.59 0.00 3.12 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 7.66 4.83 0.00 3.19 3.21 0.00 5.49 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 -2 H 9.00 5.15 0.00 3.08 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.63 4.99 0.00 3.17 3.35 0.00 6.03 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 0 H 8.36 6.04 0.00 3.00 3.48 0.00 5.80 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 R 8.81 4.76 0.00 1.65 1.81 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.00 -1 V 8.24 4.38 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 0.89 0.00 0.00 0.93 0.00 0.00 0 E 8.36 5.66 0.00 1.77 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 0.00 2.19 2.14 0.00 5 L 8.61 4.45 0.00 1.37 0.84 1.20 0.29 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 6 L 8.21 4.55 0.00 1.35 1.44 0.77 1.16 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 7 F 8.20 5.08 0.00 3.04 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 8 E 9.17 4.13 0.00 2.12 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 2.35 0.00 9 S 8.31 4.52 0.00 3.81 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 10 G 7.48 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.55 5.25 0.00 1.83 1.74 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.39 7.81 12 C 8.92 4.95 0.00 3.25 3.14 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 13 V 9.06 5.00 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 1.14 0.00 0.00 0.95 0.00 0.00 14 I 8.50 5.09 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.94 1.02 0.00 0.00 15 D 9.38 5.04 0.00 2.82 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 16 L 8.59 5.29 0.00 1.63 1.63 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.26 4.43 0.00 2.76 2.99 0.00 0.00 6.98 7.21 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 18 E 9.05 4.32 0.00 2.17 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 2.36 2.38 0.00 19 E 8.31 3.95 0.00 1.69 1.65 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 2.35 2.16 0.00 20 Y 7.47 4.61 0.00 2.98 2.81 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 21 E 9.42 3.92 0.00 2.08 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 0.00 2.30 2.35 0.00 22 V 7.80 3.44 1.64 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 0.60 0.00 0.00 0.04 0.00 0.00 23 V 7.76 3.62 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 1.25 0.00 0.00 1.08 0.00 0.00 24 K 7.78 3.95 0.00 1.99 1.88 0.00 1.76 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 1.49 1.77 7.81 25 L 8.07 4.15 0.00 1.77 1.67 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.49 4.03 0.00 1.92 1.87 1.00 1.06 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 27 K 8.39 4.00 0.00 2.05 2.13 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.77 7.81 28 E 7.93 4.27 0.00 2.43 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 29 K 7.95 4.36 0.00 1.78 1.69 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.46 7.81 30 I 7.00 3.90 1.40 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 -0.27 0.00 0.00 31 P 0.00 4.69 0.00 2.00 1.92 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 32 F 8.22 5.09 0.00 3.06 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 33 E 8.83 5.01 0.00 1.81 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 2.13 2.20 0.00 34 S 8.50 4.64 0.00 4.20 3.66 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 35 V 8.29 4.79 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 0.93 0.00 0.00 0.94 0.00 0.00 36 V 9.03 4.38 2.30 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 0.87 0.00 0.00 1.10 0.00 0.00 37 N 8.77 5.52 0.00 1.44 2.19 0.00 0.00 6.42 6.94 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 38 T 9.27 5.24 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 1.23 0.00 0.00 39 W 9.08 5.15 0.00 3.42 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 40 G 7.92 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 3.88 0.00 1.53 1.12 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 2.16 2.07 0.00 42 E 7.65 4.63 0.00 1.96 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 1.98 1.47 0.00 43 I 8.69 5.25 2.05 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 1.09 0.00 0.00 44 Y 8.95 5.46 0.00 2.87 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 45 F 8.52 5.35 0.00 3.26 3.23 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 46 S 9.00 5.22 0.00 3.98 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 47 T 8.61 4.85 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 48 P 0.00 4.81 0.00 2.03 1.99 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 49 V 7.49 4.26 2.04 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 0.65 0.00 0.00 0.83 0.00 0.00 50 N 8.69 4.87 0.00 2.66 2.69 0.00 0.00 6.82 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 51 V 8.49 4.35 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 0.88 0.00 0.00 0.80 0.00 0.00 52 Q 8.90 4.17 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 53 K 7.59 4.29 0.00 1.77 1.64 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.03 7.81 *55 E 8.52 4.51 0.00 2.39 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 0.00 2.31 2.46 0.00 56 N 8.71 5.27 0.00 2.92 2.66 0.00 0.00 6.88 7.54 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 57 P 0.00 5.00 0.00 2.13 2.06 0.00 3.79 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 2.00 2.02 0.00 58 R 9.04 4.69 0.00 1.61 1.97 0.00 3.24 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 59 E 9.05 4.53 0.00 1.83 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 2.29 0.00 60 V 7.62 4.59 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.00 0.00 61 V 8.42 4.52 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.12 0.00 0.00 62 E 9.26 4.69 0.00 1.96 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 2.20 2.21 0.00 63 I 8.26 3.76 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.99 0.00 0.00 64 G 9.72 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 65 D 8.34 4.96 0.00 2.75 2.68 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 66 V 9.00 4.88 2.20 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 1.12 0.00 0.00 1.04 0.00 0.00 67 G 9.48 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 0.00 0.00 0.00 0.00 68 Y 9.03 5.31 0.00 3.02 2.81 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 69 W 8.47 4.77 0.00 3.19 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 70 P 0.00 3.93 0.00 2.00 2.23 0.00 3.45 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 71 P 0.00 3.75 0.00 0.49 1.50 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.54 0.00 72 G 6.67 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 73 K 7.33 3.53 0.00 1.96 2.05 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.29 7.81 74 A 7.35 5.25 1.48 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 0.00 0.00 75 L 8.30 4.68 0.00 0.70 1.12 1.09 0.63 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 76 C 9.37 5.18 0.00 2.75 2.24 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 77 L 8.97 4.92 0.00 1.69 1.73 1.24 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.28 4.92 0.00 3.08 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 79 F 8.61 5.02 0.00 3.02 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 80 G 7.07 4.07 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 0.00 81 K 7.78 4.03 0.00 1.72 1.59 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.35 7.81 82 T 7.68 4.26 2.99 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 1.37 0.00 0.00 83 P 0.00 4.06 0.00 1.47 1.82 0.00 2.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.55 0.00 *85 S 7.94 4.11 0.00 4.10 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 *86 D 8.89 4.69 0.00 2.70 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 87 D 7.70 4.93 0.00 2.67 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 88 K 7.32 4.48 0.00 1.91 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.28 1.00 7.81 89 I 8.06 4.11 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 1.17 0.56 0.87 0.00 0.00 90 Q 8.39 4.74 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.04 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 91 P 0.00 4.68 0.00 2.41 1.98 0.00 3.87 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 1.94 1.80 0.00 92 A 8.55 4.21 0.69 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 93 S 7.58 4.86 0.00 3.93 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 94 A 8.76 4.34 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 95 V 8.49 4.71 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.92 0.00 0.00 96 N 9.18 4.87 0.00 2.91 2.77 0.00 0.00 7.03 7.28 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 97 V 8.37 4.48 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 98 I 8.95 3.93 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.57 0.00 0.00 99 G 7.15 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 0.00 0.00 0.00 0.00 100 K 7.87 5.16 0.00 1.73 1.72 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.62 7.81 101 I 9.07 4.38 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.98 0.00 0.00 102 V 8.93 4.41 2.12 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 0.70 0.00 0.00 1.04 0.00 0.00 103 E 8.16 4.48 0.00 2.02 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 2.29 2.34 0.00 104 G 9.14 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 0.00 105 L 8.16 3.91 0.00 1.80 1.71 1.05 1.04 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 0.00 106 E 8.13 4.03 0.00 2.00 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 0.00 2.41 2.35 0.00 107 D 7.89 4.44 0.00 2.96 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 0.00 108 L 7.49 3.57 0.00 0.64 0.32 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.01 4.10 0.00 2.01 1.91 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.35 7.81 110 K 7.48 4.19 0.00 1.75 1.79 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81 111 I 6.93 4.12 1.49 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.36 0.53 0.00 0.00 112 K 8.45 4.57 0.00 1.80 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 113 D 8.46 4.57 0.00 2.64 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 0.00 114 G 9.33 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 0.00 115 E 7.74 4.27 0.00 2.05 1.95 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 2.33 2.46 0.00 116 K 9.46 4.69 0.00 1.66 1.66 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.37 7.81 117 V 8.55 4.45 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 -0.13 0.00 0.00 -0.10 0.00 0.00 118 A 8.44 4.63 1.04 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 0.00 0.00 0.00 119 V 8.25 4.25 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 0.60 0.00 0.00 0.24 0.00 0.00 120 R 8.03 4.41 0.00 1.53 1.64 0.00 3.33 0.00 0.00 3.03 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 121 F 8.19 4.47 0.00 2.99 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 0.00 122 A 8.55 4.50 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 0.00 123 S 8.44 4.27 0.00 3.89 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 * Residues marked with a * may have inaccurate shift predictions.