NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4202 8.3349 116.7900 58.7327 64.7867 174.9515 2 D 4.3700 7.9602 117.0362 55.2418 41.0670 175.8232 3 K 4.2550 8.6444 117.9834 56.7734 33.5714 176.4234 4 I 3.8997 7.5447 121.0052 60.9761 37.5988 175.3077 5 I 4.3258 7.6672 124.8825 59.6542 38.1664 174.4325 6 H 4.7771 8.7246 127.4702 55.6714 30.4902 174.1066 7 L 5.0103 8.2279 124.1118 53.2037 45.5921 174.4872 8 T 4.9890 7.9741 108.3553 58.8960 71.8915 173.6482 9 D 4.5753 8.7411 119.4708 57.4582 40.8051 178.0222 10 D 4.5537 8.0479 116.0298 56.1769 41.3809 176.6179 11 S 4.7239 7.8710 114.2644 58.4509 62.7427 175.4030 12 F 4.1526 8.2381 122.8445 59.7097 39.5976 176.4305 13 D 4.4231 8.1531 118.1745 56.0252 39.1325 178.2952 14 T 4.1328 7.6362 116.0068 66.0259 69.0958 176.3319 15 D 4.3348 7.3521 119.0959 56.6288 41.0838 178.0081 16 V 3.8027 6.7960 116.0453 64.7575 32.5291 176.5964 17 L 3.5534 6.7788 117.0098 57.6397 41.6876 178.3075 18 K 4.1657 7.5513 124.6461 55.6211 31.1263 175.9143 19 A 4.4127 7.9112 125.7974 51.1143 22.0988 174.8237 20 D 4.6412 8.5227 118.6466 53.7352 41.6528 177.6111 21 G 3.8824 8.3580 120.7064 46.3496 0.0000 174.2620 22 A 4.7749 8.7787 122.9614 50.6380 20.4604 176.9200 23 I 4.7649 8.4372 121.2264 60.0514 42.2147 174.8223 24 L 5.1039 8.5139 126.5380 53.3502 45.1001 175.9322 25 V 4.1984 8.3307 119.3848 61.7260 34.4136 173.5827 26 D 4.8251 8.5852 128.5673 53.5849 41.5806 175.4649 27 F 4.7423 8.6716 127.9413 56.2169 37.9625 175.5393 28 W 4.8225 8.3192 120.6215 55.4484 31.0350 178.0093 29 A 4.3720 9.1910 117.3094 53.0022 20.1093 177.8374 30 E 4.1434 9.1994 117.3225 57.8250 28.9241 175.2311 31 W 4.6453 8.0040 117.7955 54.4127 27.0464 175.9903 32 C 3.9934 8.0697 118.3858 64.5570 31.2038 171.5871 33 G 4.0470 9.5359 118.9040 45.5325 0.0000 171.2261 34 P 3.8379 0.0000 0.0000 62.3660 31.2012 175.0838 35 I 4.2781 7.3180 112.2579 59.8485 39.1224 173.9647 36 E 4.4285 7.9674 116.6168 57.6582 30.9415 177.2367 37 E 3.6011 7.6116 118.5970 59.4754 30.1917 177.0063 38 S 4.4879 7.7361 116.8534 57.0720 62.5294 174.3183 39 D 4.6597 8.6129 126.9644 54.0419 39.8518 177.1909 40 D 4.4445 8.1372 120.2625 56.7647 40.9857 176.2942 41 R 4.4427 7.2352 118.2972 54.2808 29.3805 175.0144 42 R 4.4352 7.8466 117.7175 55.1782 32.4267 175.0185 43 Y 4.5806 8.0940 118.6396 56.7843 39.4336 173.7442 44 D 4.7507 8.4172 126.7375 54.7406 41.5258 178.0643 45 L 3.9166 7.6762 119.6573 58.5584 40.6560 176.9252 46 V 3.4682 6.5422 120.2516 58.0215 34.1459 175.6556 47 G 4.2484 8.2446 109.2389 44.8394 0.0000 171.3109 48 P 4.6218 0.0000 0.0000 62.5297 32.6092 173.8022 49 C 4.3323 8.2615 119.1297 59.9746 28.0069 172.7402 50 K 4.6542 7.6025 121.0420 53.4766 34.8690 176.8641 51 M 5.2175 7.6558 132.5669 56.9692 34.8333 176.2720 52 I 4.2259 7.1228 118.8265 61.4026 38.5483 178.1975 53 A 4.0202 7.8712 123.9864 54.7605 18.3840 177.6227 54 P 4.5816 0.0000 0.0000 63.5280 31.1283 176.7146 55 I 4.4166 7.9111 120.1748 62.2794 39.6370 177.7908 56 L 4.1279 7.8999 118.3668 57.2125 41.6318 178.5774 57 D 4.5025 7.6359 118.1838 57.3219 40.7842 178.1780 58 E 4.1558 8.0460 117.7564 59.0712 29.6668 178.8154 59 I 3.7730 7.2210 119.9233 64.2658 37.4757 175.5276 *67 L 4.1810 7.6353 117.4010 55.8113 41.5172 175.1743 68 T 4.7420 8.0865 113.2514 62.0941 70.3769 173.7513 69 V 4.5413 8.2086 123.2911 61.3363 35.1651 174.8952 70 A 4.8609 8.2482 129.0958 51.3696 22.2851 175.5417 71 K 4.6303 8.1019 114.4899 56.1589 37.1044 175.2515 72 L 4.5150 8.3084 126.6963 52.8941 46.0518 174.5435 73 N 4.6610 8.0227 119.9328 50.3406 41.0849 174.9230 74 I 4.2414 8.3414 119.2858 62.3395 38.4554 176.9698 75 D 4.3017 7.7878 120.6681 56.6492 40.6124 177.0117 76 Q 4.4623 7.9215 114.9606 56.0600 29.6907 175.8697 77 N 5.1090 7.5158 115.6940 51.6715 39.6700 172.9178 78 P 4.7014 0.0000 0.0000 62.8602 31.8925 177.5496 79 G 3.8843 7.9300 108.2974 47.2306 0.0000 176.0203 80 T 3.9392 7.9755 116.9912 66.5449 68.9776 176.8817 81 A 3.9206 8.1854 123.7817 54.7529 18.5637 177.7679 82 P 4.3058 0.0000 0.0000 65.4503 31.6851 178.9382 83 K 3.8564 7.6936 117.1302 59.0612 31.8666 177.3979 84 Y 4.4098 7.9229 112.9863 57.0975 38.1053 175.4774 85 G 3.7612 7.6187 106.2765 46.6318 0.0000 175.1600 86 I 3.7993 7.3140 121.6095 60.9174 35.5814 176.5563 87 R 4.1821 8.2707 123.7796 56.7086 30.6105 177.0082 88 G 3.9562 7.2334 104.2120 44.6421 0.0000 172.4525 89 I 4.7253 7.7315 114.7882 57.9123 41.1673 173.1402 90 P 4.8988 0.0000 0.0000 62.2354 32.5240 174.9913 91 T 4.6620 8.6749 121.0126 61.7806 71.1671 173.5810 92 L 5.0271 8.3134 127.6831 52.9998 41.9963 174.9678 93 L 4.3198 8.4819 124.1123 53.6667 43.6513 175.4218 94 L 4.5761 8.2326 125.4254 53.8376 43.6172 175.5863 95 F 5.4786 9.4130 127.6490 55.8948 38.9934 174.2782 96 K 4.5301 8.5039 125.6168 54.5550 33.7884 175.8479 97 N 3.9156 8.9365 127.0409 54.6285 36.3996 174.7693 98 G 4.0257 8.6424 100.2415 46.3886 0.0000 172.9407 99 E 4.8039 8.1214 119.3261 54.5776 32.9695 173.2269 100 V 5.1068 8.4755 117.4186 60.3362 33.5086 174.8408 101 A 4.2693 8.6549 130.2741 53.9540 19.1906 176.6039 102 A 5.0024 7.5788 115.9902 50.6455 22.9706 174.4772 103 T 4.8621 8.5374 109.2010 58.9879 72.0703 174.0806 104 K 4.0616 8.2070 123.1988 55.0945 34.5960 174.7389 105 V 4.2511 8.3096 120.4989 60.4552 33.9003 173.1793 106 G 3.7064 8.1145 117.0426 44.9580 0.0000 173.5266 107 A 4.1616 8.3616 128.0415 52.5226 18.9224 175.8402 108 L 4.6409 7.8247 118.3181 53.2366 43.7665 176.4591 109 S 4.5203 8.2439 114.5626 57.5727 65.8003 174.4569 110 K 4.1301 8.5636 120.9691 59.6561 31.4966 179.0919 111 G 3.6352 7.9813 105.5076 47.1609 0.0000 175.3705 112 Q 4.3053 7.9723 119.3286 57.8143 29.3530 177.5884 113 L 4.1913 7.8789 120.9927 57.5569 42.0306 178.8337 114 K 4.0356 7.8832 119.8738 59.4207 31.9132 178.6628 115 E 3.9926 7.6580 116.8964 59.1743 29.4364 178.8742 116 F 4.5258 8.1754 120.4331 61.1347 39.5334 177.4855 117 L 3.6293 7.7672 118.0476 57.8897 41.3601 179.0639 118 D 4.5558 8.1475 115.9702 55.6982 40.6820 177.2743 119 A 4.7368 7.0822 120.5458 51.6657 20.1323 176.9201 120 N 4.8667 7.9980 116.8816 55.2227 44.4134 176.1597 121 L 4.2510 7.8825 116.7225 55.9513 42.6226 176.3006 122 A 4.1302 7.5414 124.0492 52.6651 18.9206 175.7967 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 S 8.33 4.42 0.00 3.85 3.96 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 2 D 7.96 4.37 0.00 2.74 2.71 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 0.00 0.00 0.00 0.00 3 K 8.64 4.26 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.60 7.81 4 I 7.54 3.90 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.34 0.96 0.00 0.00 5 I 7.67 4.33 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.92 0.00 0.00 6 H 8.72 4.78 0.00 3.25 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.23 5.01 0.00 1.54 1.54 0.73 0.75 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 8 T 7.97 4.99 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 1.25 0.00 0.00 9 D 8.74 4.58 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.05 4.55 0.00 2.69 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.87 4.72 0.00 3.82 3.83 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 12 F 8.24 4.15 0.00 3.36 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 13 D 8.15 4.42 0.00 2.95 2.97 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 14 T 7.64 4.13 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 15 D 7.35 4.33 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.80 3.80 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 0.62 0.00 0.00 0.27 0.00 0.00 17 L 6.78 3.55 0.00 1.72 1.64 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.55 4.17 0.00 1.86 1.77 0.00 1.57 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.42 7.81 19 A 7.91 4.41 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.52 4.64 0.00 2.63 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 21 G 8.36 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.78 4.77 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 23 I 8.44 4.76 1.87 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 1.22 0.73 0.91 0.00 0.00 24 L 8.51 5.10 0.00 1.64 1.66 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.33 4.20 2.34 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 0.58 0.00 0.00 1.37 0.00 0.00 26 D 8.59 4.83 0.00 2.97 2.71 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 0.00 0.00 0.00 0.00 27 F 8.67 4.74 0.00 3.23 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 28 W 8.32 4.82 0.00 3.68 3.30 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 29 A 9.19 4.37 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 9.20 4.14 0.00 2.30 2.26 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 2.60 2.36 0.00 31 W 8.00 4.65 0.00 3.52 3.17 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 32 C 8.07 3.99 0.00 3.08 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 33 G 9.54 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 34 P 0.00 3.84 0.00 0.49 1.37 0.00 3.56 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.62 0.00 35 I 7.32 4.28 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.36 0.80 0.00 0.00 36 E 7.97 4.43 0.00 2.06 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 2.20 2.27 0.00 37 E 7.61 3.60 0.00 1.90 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 0.00 2.30 2.27 0.00 38 S 7.74 4.49 0.00 3.88 3.72 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 39 D 8.61 4.66 0.00 3.11 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 40 D 8.14 4.44 0.00 2.70 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 41 R 7.24 4.44 0.00 1.83 1.81 0.00 3.12 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 42 R 7.85 4.44 0.00 1.51 1.67 0.00 3.67 0.00 0.00 3.57 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 43 Y 8.09 4.58 0.00 2.74 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.42 4.75 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.68 3.92 0.00 1.55 1.55 0.24 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 46 V 6.54 3.47 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 0.83 0.00 0.00 1.02 0.00 0.00 47 G 8.24 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 0.00 0.00 0.00 0.00 48 P 0.00 4.62 0.00 2.13 2.10 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 49 C 8.26 4.33 0.00 2.97 2.97 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 50 K 7.60 4.65 0.00 1.93 1.78 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.51 7.81 51 M 7.66 5.22 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 52 I 7.12 4.23 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.92 0.00 0.00 53 A 7.87 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.58 0.00 2.03 2.16 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 55 I 7.91 4.42 1.99 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 1.29 0.83 0.91 0.00 0.00 56 L 7.90 4.13 0.00 1.62 1.74 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.64 4.50 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 4.16 0.00 1.93 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 2.31 2.41 0.00 59 I 7.22 3.77 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.60 0.91 0.00 0.00 *67 L 7.64 4.18 0.00 1.78 1.76 0.95 0.56 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 68 T 8.09 4.74 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 1.19 0.00 0.00 69 V 8.21 4.54 2.50 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 1.04 0.00 0.00 0.98 0.00 0.00 70 A 8.25 4.86 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 K 8.10 4.63 0.00 1.82 2.18 0.00 1.57 0.00 0.00 1.18 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.67 1.46 7.81 72 L 8.31 4.51 0.00 1.33 0.95 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.02 4.66 0.00 1.44 2.15 0.00 0.00 7.45 7.82 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 74 I 8.34 4.24 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 1.07 0.00 0.00 75 D 7.79 4.30 0.00 2.60 2.55 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 76 Q 7.92 4.46 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.29 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 77 N 7.52 5.11 0.00 2.74 2.83 0.00 0.00 6.94 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.70 0.00 2.04 2.07 0.00 3.65 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 79 G 7.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.98 3.94 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 0.92 0.00 0.00 81 A 8.19 3.92 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 82 P 0.00 4.31 0.00 2.15 2.10 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 83 K 7.69 3.86 0.00 1.30 1.32 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.60 7.81 84 Y 7.92 4.41 0.00 2.84 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 85 G 7.62 3.76 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 0.00 0.00 0.00 86 I 7.31 3.80 1.59 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.35 0.67 0.00 0.00 87 R 8.27 4.18 0.00 1.75 1.93 0.00 3.21 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 88 G 7.23 3.96 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 0.00 0.00 0.00 89 I 7.73 4.73 2.32 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 1.04 0.00 0.00 90 P 0.00 4.90 0.00 2.25 2.38 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.91 0.00 91 T 8.67 4.66 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 1.15 0.00 0.00 92 L 8.31 5.03 0.00 1.55 1.77 1.02 0.89 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 93 L 8.48 4.32 0.00 1.82 1.46 0.86 0.26 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 94 L 8.23 4.58 0.00 1.90 1.72 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 95 F 9.41 5.48 0.00 3.16 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 K 8.50 4.53 0.00 1.81 1.71 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.38 7.81 97 N 8.94 3.92 0.00 3.00 2.91 0.00 0.00 7.05 7.53 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 98 G 8.64 4.03 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 0.00 0.00 0.00 99 E 8.12 4.80 0.00 2.08 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 2.28 2.33 0.00 100 V 8.48 5.11 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 0.64 0.00 0.00 0.48 0.00 0.00 101 A 8.65 4.27 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 0.00 102 A 7.58 5.00 1.41 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 0.00 0.00 103 T 8.54 4.86 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 1.19 0.00 0.00 104 K 8.21 4.06 0.00 0.79 1.17 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.98 0.61 7.81 105 V 8.31 4.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.87 0.00 0.00 106 G 8.11 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.36 4.16 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 0.00 108 L 7.82 4.64 0.00 1.88 1.58 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.24 4.52 0.00 4.08 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 0.00 110 K 8.56 4.13 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.52 7.81 111 G 7.98 3.64 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 0.00 0.00 0.00 112 Q 7.97 4.31 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 113 L 7.88 4.19 0.00 1.96 1.71 1.09 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.88 4.04 0.00 2.06 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.49 7.81 115 E 7.66 3.99 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 116 F 8.18 4.53 0.00 3.02 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 0.00 117 L 7.77 3.63 0.00 1.74 1.63 0.95 0.92 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 0.00 118 D 8.15 4.56 0.00 2.71 2.71 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 0.00 0.00 0.00 0.00 119 A 7.08 4.74 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 0.00 120 N 8.00 4.87 0.00 2.61 2.59 0.00 0.00 6.82 7.95 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 0.00 121 L 7.88 4.25 0.00 1.57 1.67 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.54 4.13 1.17 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.