NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7115 8.1633 120.6123 55.4400 33.9406 174.0401 2 K 4.7303 9.0989 124.7447 53.6631 36.9317 173.2814 3 K 4.8117 9.7401 125.9776 55.0159 34.7649 174.6514 4 I 4.8421 8.9490 128.7662 59.7282 39.6705 174.2154 5 E 5.2672 9.2476 127.2751 54.4789 32.0980 174.9837 6 A 4.9551 9.1258 126.3148 50.0798 22.4861 174.5997 7 I 4.9398 8.6702 124.1263 59.6433 39.2200 175.0399 8 I 5.0717 8.6128 120.3119 58.4403 41.6913 175.2704 9 R 4.1986 8.3102 121.6866 55.7812 30.7495 176.0671 10 P 4.2608 0.0000 0.0000 65.7701 31.2234 178.8116 11 F 4.3767 8.2569 110.8288 59.0084 38.0975 176.4409 12 K 3.8686 7.4114 118.4320 56.7518 32.0023 178.1678 13 L 3.8696 7.8572 122.2685 58.4147 41.8963 178.5862 14 D 4.3075 7.9976 117.9163 57.3820 40.9065 178.0388 15 E 3.8911 8.1992 119.2786 59.4819 29.4434 179.0128 16 V 3.5574 7.7797 118.0677 65.6752 31.5275 177.8619 17 K 3.8875 8.4647 119.8127 59.6039 32.0575 178.8096 18 I 3.6626 8.0575 120.0366 64.3466 37.0405 178.2302 19 A 4.0162 8.0287 121.5284 55.1436 18.1954 179.7811 20 L 3.8834 8.2110 117.6794 57.8714 41.7658 179.7925 21 V 3.5808 7.9501 118.2974 66.2806 31.2805 177.7194 22 N 4.3368 8.4180 114.8811 56.1974 38.4558 176.4249 23 A 4.3190 7.6772 119.3940 52.5993 18.5988 177.9706 24 G 3.9878 8.0383 106.4149 44.9313 0.0000 173.8387 25 I 4.0919 7.5142 113.2692 60.4444 38.3470 176.2404 26 V 4.4118 7.9160 116.0579 60.3795 32.2903 175.4980 27 G 4.0017 7.7353 104.2356 45.2413 0.0000 173.0128 28 M 4.8490 8.2681 121.2872 54.8727 35.4985 173.6412 29 T 4.7316 8.7469 120.2340 61.7260 72.4019 173.0710 30 V 5.0602 8.5299 125.3793 61.1480 34.4810 174.3591 31 S 4.8455 9.0044 120.7034 56.6950 67.1956 172.2717 32 E 4.9198 8.6792 119.6110 55.7202 30.6679 176.1681 33 V 4.6790 8.7484 116.0010 59.9529 36.8657 174.1610 34 R 5.2993 8.7257 119.6401 54.6178 32.8798 175.9740 35 G 4.4744 9.4967 109.2826 44.4768 0.0000 171.3668 36 F 5.2204 8.1308 123.2343 55.1213 42.5047 175.2637 37 G 3.8271 6.6373 109.7837 46.2652 0.0000 172.9764 38 R 3.8262 8.5794 117.6670 58.3463 30.7811 176.8061 39 Q 3.9537 7.8744 120.2081 55.9573 29.3684 174.7516 40 K 4.5376 8.3944 124.7603 55.3694 34.1711 177.0937 41 G 4.1166 8.1059 110.4668 45.2456 0.0000 173.1559 42 Q 4.2437 8.4714 120.5859 56.1172 30.5084 176.6032 43 T 4.1567 8.4265 122.2287 62.5858 68.3423 174.5943 44 E 4.4737 8.4145 121.9829 55.8157 31.9620 173.8320 *50 E 4.5530 8.2396 119.7090 56.7228 31.2747 175.2719 51 Y 4.9753 7.8812 116.3433 55.5466 41.9470 173.6608 52 T 4.3075 8.5431 119.0107 62.1045 69.7054 174.9867 53 V 3.7845 7.9362 127.0154 63.6470 31.5982 175.8298 54 E 4.5206 9.0977 124.7295 56.0257 32.6967 175.1317 55 F 5.1010 8.4592 117.9420 55.9824 40.3352 175.1634 56 L 4.8199 8.9519 124.8960 52.8839 44.0950 176.4229 57 Q 4.6577 8.6943 121.5179 56.3134 29.4336 175.7194 58 K 4.8184 9.1378 121.8679 54.8164 37.3092 174.9426 59 L 5.2229 8.7394 120.9569 52.9858 44.9389 175.5311 60 K 4.9407 9.0063 123.8678 54.7730 34.5945 174.5860 61 L 5.0573 9.0816 128.0540 53.2618 43.9885 175.2310 62 E 5.1979 9.3940 123.5235 54.6043 32.9253 175.2043 63 I 4.8369 9.0028 124.7662 59.6915 41.2585 174.2159 64 V 4.7676 8.5048 127.4348 61.6281 32.7023 175.1839 65 V 4.6615 8.7321 120.0563 59.1954 36.7458 174.8500 66 E 4.2811 8.7386 121.0544 56.4756 30.2609 177.9624 67 D 4.3967 9.0266 122.8511 57.9390 40.7042 179.5920 68 A 4.0772 8.0813 118.7419 54.6020 18.5760 178.4071 69 Q 4.3979 8.1489 115.0013 55.7539 29.2693 177.6235 70 V 3.5479 7.6301 121.0544 66.2840 31.4798 177.3630 71 D 4.3585 8.1222 117.8229 57.7953 40.6447 178.8572 72 T 3.8339 7.8699 115.4677 66.6863 68.5034 176.5762 73 V 3.5715 7.7257 119.9797 66.0075 31.5028 178.0105 74 I 3.6387 8.0012 119.5978 64.5525 37.0092 177.7752 75 D 4.4117 8.2515 119.8395 57.8312 40.7520 179.7234 76 K 4.0093 8.2516 118.5467 59.2777 32.0360 179.5679 77 I 3.6455 7.8740 120.1997 64.2803 37.1688 178.4891 78 V 3.4945 8.1439 119.1797 66.1613 31.1473 177.9819 79 A 3.9934 7.9351 118.6766 54.8526 18.2173 178.9847 80 A 4.1249 7.8105 118.2592 54.6740 19.0145 179.1226 81 A 4.0484 8.2344 118.3795 52.8993 19.2777 178.2201 82 R 4.2717 7.2362 113.8669 56.2260 30.2468 176.5938 83 T 4.4446 9.2437 108.8587 60.9344 70.4284 175.1746 84 G 3.9455 8.8329 109.8557 45.0443 0.0000 173.0690 85 E 4.5520 7.8419 119.2810 54.3440 31.3585 175.5456 86 I 3.7945 7.9155 121.3362 63.0659 37.9804 176.7909 87 G 4.4185 8.8115 110.7868 46.3397 0.0000 175.1624 88 D 4.0719 7.4492 119.3057 55.9198 41.0668 174.8409 89 G 4.1927 7.0304 100.3157 44.6564 0.0000 172.6122 90 K 4.5129 8.1670 115.6245 54.7826 36.7722 175.4332 91 I 4.6501 7.8901 122.8990 59.4470 39.6523 174.9537 92 F 5.0571 9.2741 125.2061 55.6045 42.1891 174.2447 93 V 5.0002 8.6284 122.8163 61.1987 33.4995 174.6547 94 S 4.9461 9.1245 121.6525 55.9056 66.8423 171.4904 95 P 4.8354 0.0000 0.0000 62.5593 32.5778 175.4583 96 V 4.3469 7.9444 120.9334 61.5913 33.2050 175.2240 97 D 4.5753 8.9813 127.6423 56.5194 41.4896 176.3790 98 Q 4.6343 7.4920 116.6373 55.0360 32.1263 173.1362 99 T 4.7947 8.2481 118.3774 61.9158 72.9557 172.8201 100 I 4.9669 8.2441 125.1801 59.5137 40.9542 174.6600 101 R 4.2250 8.7920 127.9250 55.4907 29.5999 177.3259 102 I 3.7302 8.5431 127.8853 64.3709 37.6276 178.3107 103 R 4.0673 8.1540 119.5734 58.7001 29.9640 176.8524 104 T 4.3473 7.2306 102.1855 60.3759 70.1700 175.2142 105 G 3.9013 8.4217 109.8005 45.6743 0.0000 173.8355 106 E 4.0817 7.7686 119.2617 56.4626 29.9707 176.1809 107 K 5.4014 7.6607 118.8345 53.8386 37.3958 178.1855 108 N 3.8441 8.7090 116.9046 54.4322 37.5697 177.7765 109 A 4.0072 8.5060 123.5531 56.2981 18.1999 179.0855 110 D 4.2238 8.0633 116.8755 57.3980 40.6884 178.4967 111 A 4.1447 7.9150 120.3392 53.6043 18.3424 178.0410 112 I 4.3757 6.9850 109.7789 60.3706 37.9179 176.1808 113 S 4.1186 7.4572 115.1701 58.7298 63.1996 174.2921 114 A 4.2491 8.2489 124.2746 53.7649 18.8581 177.7667 115 W 4.2604 7.3899 117.2840 57.2467 27.5131 174.2516 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.71 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 2 K 9.10 4.73 0.00 1.66 1.63 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.60 7.81 3 K 9.74 4.81 0.00 1.83 1.68 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 I 8.95 4.84 1.97 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 1.24 0.57 0.90 0.00 0.00 5 E 9.25 5.27 0.00 2.10 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 2.31 0.00 6 A 9.13 4.96 1.13 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 0.00 0.00 7 I 8.67 4.94 1.87 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 1.35 1.19 0.96 0.00 0.00 8 I 8.61 5.07 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.67 0.84 0.00 0.00 9 R 8.31 4.20 0.00 1.51 1.91 0.00 3.14 0.00 0.00 3.57 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 10 P 0.00 4.26 0.00 2.24 2.16 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 11 F 8.26 4.38 0.00 3.21 3.19 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 12 K 7.41 3.87 0.00 1.64 1.62 0.00 1.59 0.00 0.00 1.09 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.30 1.31 7.81 13 L 7.86 3.87 0.00 1.79 1.67 0.91 1.09 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 14 D 8.00 4.31 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 15 E 8.20 3.89 0.00 2.03 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 0.00 2.35 2.37 0.00 16 V 7.78 3.56 2.25 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 0.99 0.00 0.00 0.89 0.00 0.00 17 K 8.46 3.89 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 18 I 8.06 3.66 1.87 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 1.46 0.59 0.91 0.00 0.00 19 A 8.03 4.02 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 20 L 8.21 3.88 0.00 1.74 1.72 0.91 1.00 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 21 V 7.95 3.58 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 1.04 0.00 0.00 0.98 0.00 0.00 22 N 8.42 4.34 0.00 2.69 2.88 0.00 0.00 7.09 7.25 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 23 A 7.68 4.32 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.51 4.09 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.96 0.00 0.00 26 V 7.92 4.41 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 0.80 0.00 0.00 0.94 0.00 0.00 27 G 7.74 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 28 M 8.27 4.85 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 29 T 8.75 4.73 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 1.22 0.00 0.00 30 V 8.53 5.06 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 9.00 4.85 0.00 3.88 3.91 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 32 E 8.68 4.92 0.00 1.89 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 0.00 2.29 2.35 0.00 33 V 8.75 4.68 2.14 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 0.86 0.00 0.00 0.99 0.00 0.00 34 R 8.73 5.30 0.00 1.75 2.03 0.00 3.57 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 35 G 9.50 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.13 5.22 0.00 2.32 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 37 G 6.64 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 0.00 0.00 0.00 38 R 8.58 3.83 0.00 1.74 1.92 0.00 3.18 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 39 Q 7.87 3.95 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 40 K 8.39 4.54 0.00 1.61 1.64 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.69 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.30 7.81 41 G 8.11 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 42 Q 8.47 4.24 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 43 T 8.43 4.16 4.18 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 1.16 0.00 0.00 44 E 8.41 4.47 0.00 1.89 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 0.00 2.12 2.08 0.00 *50 E 8.24 4.55 0.00 2.04 2.32 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 2.31 2.57 0.00 51 Y 7.88 4.98 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.54 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 1.16 0.00 0.00 53 V 7.94 3.78 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 1.08 0.00 0.00 0.87 0.00 0.00 54 E 9.10 4.52 0.00 2.00 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 0.00 2.30 2.48 0.00 55 F 8.46 5.10 0.00 3.05 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 56 L 8.95 4.82 0.00 1.62 1.61 0.96 0.66 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 57 Q 8.69 4.66 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 58 K 9.14 4.82 0.00 1.68 1.77 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.60 7.81 59 L 8.74 5.22 0.00 1.56 1.54 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.01 4.94 0.00 1.83 1.67 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 L 9.08 5.06 0.00 1.75 1.55 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.39 5.20 0.00 1.84 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 0.00 2.24 2.27 0.00 63 I 9.00 4.84 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.97 0.00 0.00 64 V 8.50 4.77 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 0.79 0.00 0.00 0.94 0.00 0.00 65 V 8.73 4.66 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 0.71 0.00 0.00 0.93 0.00 0.00 66 E 8.74 4.28 0.00 2.06 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 2.37 2.37 0.00 67 D 9.03 4.40 0.00 2.67 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 68 A 8.08 4.08 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 69 Q 8.15 4.40 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 70 V 7.63 3.55 2.18 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 1.12 0.00 0.00 0.97 0.00 0.00 71 D 8.12 4.36 0.00 2.72 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 72 T 7.87 3.83 4.34 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 1.21 0.00 0.00 73 V 7.73 3.57 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 74 I 8.00 3.64 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.52 0.88 0.00 0.00 75 D 8.25 4.41 0.00 2.89 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 76 K 8.25 4.01 0.00 1.75 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.61 7.81 77 I 7.87 3.65 1.83 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 1.37 0.68 0.85 0.00 0.00 78 V 8.14 3.49 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 0.98 0.00 0.00 0.91 0.00 0.00 79 A 7.94 3.99 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 80 A 7.81 4.12 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 81 A 8.23 4.05 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 82 R 7.24 4.27 0.00 1.95 1.99 0.00 2.99 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 83 T 9.24 4.44 4.32 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 1.34 0.00 0.00 84 G 8.83 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 85 E 7.84 4.55 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 86 I 7.92 3.79 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 1.32 0.45 0.87 0.00 0.00 87 G 8.81 4.42 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 0.00 88 D 7.45 4.07 0.00 2.79 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 89 G 7.03 4.19 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 0.00 90 K 8.17 4.51 0.00 0.89 1.02 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.44 7.81 91 I 7.89 4.65 1.73 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 1.23 0.44 0.90 0.00 0.00 92 F 9.27 5.06 0.00 2.91 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 93 V 8.63 5.00 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 0.85 0.00 0.00 0.95 0.00 0.00 94 S 9.12 4.95 0.00 3.87 3.91 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 95 P 0.00 4.84 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 7.94 4.35 2.21 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 0.85 0.00 0.00 0.95 0.00 0.00 97 D 8.98 4.58 0.00 2.70 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 98 Q 7.49 4.63 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 99 T 8.25 4.79 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 1.20 0.00 0.00 100 I 8.24 4.97 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.90 0.00 0.00 101 R 8.79 4.22 0.00 1.88 1.79 0.00 3.26 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 102 I 8.54 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.91 0.00 0.00 103 R 8.15 4.07 0.00 1.77 1.96 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 T 7.23 4.35 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 1.21 0.00 0.00 105 G 8.42 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 0.00 0.00 0.00 106 E 7.77 4.08 0.00 2.06 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 2.31 2.28 0.00 107 K 7.66 5.40 0.00 1.66 1.65 0.00 1.94 0.00 0.00 2.11 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.54 7.81 108 N 8.71 3.84 0.00 2.92 2.48 0.00 0.00 7.32 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 0.00 109 A 8.51 4.01 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 0.00 110 D 8.06 4.22 0.00 2.82 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.91 4.14 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 0.00 112 I 6.99 4.38 1.85 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 1.32 0.80 0.90 0.00 0.00 113 S 7.46 4.12 0.00 3.62 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 0.00 114 A 8.25 4.25 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 0.00 115 W 7.39 4.26 0.00 3.50 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 0.00 * Residues marked with a * may have inaccurate shift predictions.