NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.1024 8.3544 108.0369 46.1771 0.0000 172.8845 3 V 4.1793 8.6977 122.8554 59.4611 34.4077 172.9428 4 Q 2.0000 8.9767 130.5338 55.2903 29.3569 174.5503 5 P 3.8559 0.0000 0.0000 61.0122 32.3425 174.4613 6 P 4.1549 0.0000 0.0000 64.1061 32.0217 175.5497 7 N 4.1783 8.4871 116.4323 54.5584 37.3779 172.9302 8 F 5.2413 7.8544 118.0381 56.9532 41.0069 174.9684 9 S 4.1946 7.3277 117.8688 57.0065 66.4115 174.2489 10 W 4.5554 8.6181 121.8198 56.6717 29.3458 176.1797 11 V 4.0693 9.1333 123.5919 63.6952 32.4233 175.6446 12 L 4.6227 7.6512 120.3097 51.8281 43.0197 173.2359 13 P 3.7221 0.0000 0.0000 63.6343 31.1802 176.8475 14 G 3.4678 6.6452 110.4992 45.7219 0.0000 173.1526 15 R 4.6312 8.9289 117.9248 56.9729 34.0154 175.2641 16 L 5.3302 8.2152 119.4265 53.4388 45.6048 174.7358 17 A 4.8196 9.1807 126.8679 50.0688 23.0246 174.8223 18 G 4.4154 8.2585 106.7118 44.6630 0.0000 172.2283 19 L 5.3873 8.3582 119.0825 55.6046 44.3306 174.7236 20 A 4.6598 8.4231 122.3911 50.7655 20.9417 176.2161 21 L 3.9546 7.8145 119.8194 54.8173 42.2733 176.2246 22 P 4.3638 0.0000 0.0000 62.5572 32.1138 176.3404 23 R 4.8328 8.4409 113.3004 55.6465 31.7468 174.5112 24 L 4.8594 7.2435 118.2096 51.8329 45.4176 175.5456 25 P 4.6255 0.0000 0.0000 65.2159 31.2254 178.9229 26 A 4.2922 7.8858 118.8418 54.8363 18.3689 179.3605 27 H 4.7703 7.7000 116.7016 58.9087 28.7845 177.5363 28 Y 4.1921 7.4524 117.9898 61.1679 37.7469 178.3981 29 Q 4.0774 8.3056 119.1441 58.7665 28.7116 178.5865 30 F 4.0104 8.0836 121.3217 61.1452 39.5233 176.9852 31 L 3.8221 7.8321 118.3492 57.8941 41.5650 179.5358 32 L 4.0443 8.0689 118.7989 57.9501 41.2756 179.3996 33 D 4.3782 7.7414 118.1207 56.7768 40.7877 177.7551 34 L 4.4218 7.1840 116.5766 54.5406 42.3190 177.7257 35 G 3.9359 8.0257 108.4330 45.1623 0.0000 173.9900 36 V 4.1343 7.4317 119.0047 62.1431 29.9422 175.5137 37 R 4.4415 8.3709 123.9868 56.6688 31.6033 175.4169 38 H 5.3244 8.1239 116.4630 53.7338 33.3035 171.9806 39 L 5.1899 9.1877 124.6012 53.3574 45.0622 175.2241 40 V 4.6107 9.2016 127.9489 61.9743 32.9274 174.4691 41 S 4.7207 9.0384 124.4908 57.0914 63.4888 174.1604 42 L 5.0993 8.6975 126.9686 54.4135 41.5101 177.2487 43 T 4.2492 7.6293 109.6306 61.0750 69.4585 175.1745 44 E 4.2145 8.5659 121.4386 58.6667 29.7258 177.6718 45 R 4.7139 7.2083 114.7190 53.5538 33.9540 175.4083 46 G 3.8099 8.5251 109.4415 44.8543 0.0000 171.7666 47 P 4.4718 0.0000 0.0000 61.2018 32.2174 174.2816 48 P 4.2885 0.0000 0.0000 64.5585 31.8579 175.6677 49 H 4.1405 8.8724 115.9156 56.6634 26.7128 176.8613 50 S 2.7900 7.3878 116.9288 60.9902 62.6360 175.9362 51 D 4.4872 7.7669 118.5080 55.4867 40.3282 177.3317 52 S 4.2035 8.0705 115.0956 60.3958 63.4044 173.1783 53 C 4.7743 7.5552 119.6454 56.4825 27.5006 172.3699 54 P 4.2768 0.0000 0.0000 64.9325 31.0698 178.5318 55 G 3.6690 7.9440 106.4912 46.7761 0.0000 172.9206 56 L 4.5607 7.6363 122.9107 54.2209 43.3057 175.8938 57 T 4.3140 8.5870 123.5976 62.4470 69.9739 173.4234 58 L 4.8067 8.3845 129.0179 54.2515 43.5742 175.3444 59 H 4.8049 9.4599 124.0233 54.0271 30.9167 173.4872 60 R 4.4695 8.5625 123.5245 55.6079 30.6884 177.2643 61 L 4.7840 8.7165 125.5462 52.2294 41.9274 175.0600 62 R 4.3492 8.0784 120.0502 56.5247 31.1018 175.4635 63 I 4.5550 8.2172 126.3839 58.3039 40.6133 173.2296 64 P 4.3520 0.0000 0.0000 62.7545 31.8590 175.4682 65 D 3.8754 8.2972 121.7013 55.8338 40.9867 176.4901 66 F 4.1069 8.2189 119.2859 58.6935 36.4739 174.6118 67 C 4.9955 7.6465 116.6368 57.2393 31.6799 172.1316 68 P 4.6858 0.0000 0.0000 61.0485 32.4045 174.1447 69 P 4.4509 0.0000 0.0000 62.2840 32.1237 176.4703 70 A 4.3811 8.8939 124.5405 50.9940 19.8226 176.8011 71 P 4.3237 0.0000 0.0000 66.3122 31.4254 178.9385 72 D 4.4731 8.1808 116.6110 57.3923 40.6970 178.8382 73 Q 4.0422 8.0873 118.7670 58.9622 28.6354 178.7375 74 I 3.7441 7.7271 120.3341 64.5376 37.2255 177.9987 75 D 4.5073 8.1796 119.6196 57.3902 40.5380 178.9687 76 R 3.9021 8.0807 119.2295 59.2231 30.1495 178.0311 77 F 4.1381 8.6513 120.9577 61.5371 39.2844 177.0473 78 V 3.4412 8.0431 117.7394 66.1496 31.2526 177.6538 79 Q 3.9337 8.1113 118.9731 59.2873 28.9018 178.3875 80 I 3.5339 7.8375 120.9853 64.3239 37.0573 178.6565 81 V 3.2727 7.3170 118.9520 65.8179 31.2681 177.7513 82 D 4.4064 8.1936 119.0689 57.3931 40.2643 178.7017 83 E 3.9500 8.3198 117.9540 59.1902 29.6106 179.0771 84 A 3.8624 7.9119 121.6669 55.0902 18.5419 179.5034 85 N 4.5440 8.5849 115.9927 55.6409 38.2955 177.5327 86 A 4.1007 7.7117 121.5610 54.4424 18.4553 178.7705 87 R 4.4382 7.3173 113.3028 55.5272 30.3317 176.8997 88 G 3.9242 7.9263 106.4379 46.2375 0.0000 173.3342 89 E 4.8874 8.1869 118.2176 54.0783 32.6225 175.6388 90 A 4.6760 8.6142 124.5496 51.4100 20.9528 176.3625 91 V 4.6917 9.0637 119.3544 61.0067 35.1193 174.6554 92 G 4.5772 9.2916 114.0178 44.2700 0.0000 172.1108 93 V 5.2125 8.8328 123.3024 59.8904 34.4255 174.3172 94 H 5.7235 9.3539 118.8480 52.8839 32.1201 171.4850 95 C 4.6121 8.2938 115.3159 57.9411 32.1341 174.4287 96 A 4.1781 8.9565 116.1525 54.9118 18.5167 179.7640 97 L 4.3377 8.1737 111.6558 54.1746 43.1392 177.8018 98 G 3.7319 8.2878 105.8712 46.5358 0.0000 173.5396 99 F 4.7687 7.9995 118.4697 58.6261 41.0201 177.1149 100 G 3.8688 7.6722 109.7682 47.3965 0.0000 175.6028 101 R 3.8681 8.3004 120.2376 59.0230 31.2285 178.7266 102 T 3.8229 8.0557 114.1582 66.5897 68.9277 176.5827 103 G 3.7014 8.1079 109.8870 49.1576 0.0000 175.7448 104 T 3.8812 7.9437 113.2910 64.2485 68.0122 176.1118 *106 L 4.3235 8.0965 123.1437 54.8967 43.7768 179.1318 107 A 4.0529 7.9849 120.1008 55.4422 18.1963 179.5127 108 C 4.1762 8.1865 115.2663 62.9716 27.9794 175.6758 109 Y 4.1473 8.0416 120.8904 60.5070 38.4374 177.6203 110 L 3.7656 7.9689 119.9179 57.4658 41.1925 179.5907 111 V 3.8168 7.7384 119.4582 65.3477 31.3476 178.0700 112 K 3.9497 8.0115 117.7354 59.6701 32.2772 178.0686 113 E 3.9738 8.2946 118.7746 57.7800 29.1919 177.5662 114 R 4.5395 7.9076 116.0096 54.6592 30.4451 176.7012 115 G 4.0927 7.4554 105.0209 46.3179 0.0000 174.2642 116 L 4.1508 7.1346 119.3231 53.6347 42.5571 176.7986 117 A 3.0685 8.0071 122.5265 51.0099 20.3561 178.5187 118 A 3.5638 6.9823 124.0287 55.1930 18.1643 180.5189 119 G 3.6055 7.4092 103.2206 48.3565 0.0000 175.4558 120 D 4.3699 7.8569 120.7869 56.5840 40.9594 178.6319 121 A 3.9672 7.9601 121.8137 55.1638 18.3977 179.7772 122 I 3.6734 7.9802 118.4377 64.2989 37.0986 178.5873 123 A 4.0021 8.0252 121.8080 55.0669 18.1369 179.3209 124 E 3.8824 8.2414 117.8715 59.4568 29.6954 179.1334 125 I 3.7250 7.6970 119.6078 64.5474 37.3226 178.7205 126 R 4.1747 8.1561 118.8490 58.9599 29.5657 179.2498 127 R 3.9015 7.8521 118.1316 59.4110 30.2355 178.2934 128 L 4.3313 8.0494 117.7151 56.4360 43.1470 177.8152 129 R 4.6153 8.4816 119.0706 52.5128 30.3032 171.4378 130 P 4.9646 0.0000 0.0000 63.3130 31.9140 176.6813 131 G 3.6935 8.9343 110.2685 45.3203 0.0000 174.1021 132 S 4.6016 7.7214 115.0906 59.0845 63.9160 173.8069 133 I 3.5358 8.2188 121.8171 62.6299 34.7804 174.9035 134 E 4.1177 8.0562 117.5759 58.6335 30.7475 178.4070 135 T 4.5308 8.1584 110.1841 60.4103 71.8020 175.1905 136 Y 4.3614 8.3514 123.9138 60.6165 38.9853 178.0115 137 E 4.0754 8.4275 119.0202 59.5056 29.4047 179.3432 138 Q 4.0008 8.0999 117.9133 59.0033 28.7008 178.5366 139 E 4.0301 8.1307 119.6159 59.2343 29.4153 179.1321 140 K 3.7787 8.4414 119.7375 59.5817 32.3010 178.4021 141 A 4.0336 8.1291 120.8355 55.3129 18.1949 179.8592 142 V 3.6297 7.6471 116.6488 66.1488 31.6397 178.2720 143 F 4.0095 8.5011 117.5990 60.8415 38.5895 177.7983 144 Q 4.1549 8.4388 116.5765 58.6150 28.6523 178.3313 145 F 4.3638 8.2094 121.6848 61.4209 39.5166 176.4282 146 Y 4.1067 8.3875 119.3665 60.9734 38.2991 178.1220 147 Q 3.8481 8.0092 118.0358 58.3211 28.8418 178.1582 148 R 4.3648 7.1557 113.8058 56.3348 29.8816 176.8621 149 T 4.0439 6.9703 115.8821 62.3211 71.1045 173.8807 150 K 3.7597 8.0005 126.6553 56.6080 33.6771 174.9648 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 2 G 8.35 4.10 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 0.00 0.00 0.00 3 V 8.70 4.18 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 0.80 0.00 0.00 0.89 0.00 0.00 4 Q 8.98 2.00 0.00 1.10 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.00 5 P 0.00 3.86 0.00 1.87 1.58 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 6 P 0.00 4.15 0.00 2.13 2.10 0.00 3.48 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 7 N 8.49 4.18 0.00 2.78 2.59 0.00 0.00 6.66 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 8 F 7.85 5.24 0.00 2.99 2.85 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 0.00 0.00 0.00 9 S 7.33 4.19 0.00 3.81 3.75 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 10 W 8.62 4.56 0.00 3.15 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 11 V 9.13 4.07 2.27 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 0.87 0.00 0.00 0.93 0.00 0.00 12 L 7.65 4.62 0.00 1.91 1.66 1.22 1.16 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 13 P 0.00 3.72 0.00 1.89 1.80 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 14 G 6.65 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 0.00 0.00 0.00 15 R 8.93 4.63 0.00 1.89 1.96 0.00 3.11 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 16 L 8.22 5.33 0.00 1.65 1.53 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.18 4.82 0.21 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 18 G 8.26 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 19 L 8.36 5.39 0.00 1.73 1.88 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.42 4.66 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 21 L 7.81 3.95 0.00 1.71 1.58 0.92 1.36 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 22 P 0.00 4.36 0.00 1.46 1.68 0.00 3.30 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 1.95 1.86 0.00 23 R 8.44 4.83 0.00 1.90 2.00 0.00 2.98 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 24 L 7.24 4.86 0.00 1.24 1.38 0.74 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.63 0.00 2.16 2.15 0.00 3.80 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 2.05 2.02 0.00 26 A 7.89 4.29 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 27 H 7.70 4.77 0.00 2.79 2.85 0.00 5.65 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 28 Y 7.45 4.19 0.00 3.17 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 29 Q 8.31 4.08 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.77 0.00 30 F 8.08 4.01 0.00 3.26 3.18 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 31 L 7.83 3.82 0.00 2.00 1.86 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.07 4.04 0.00 1.87 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.74 4.38 0.00 2.60 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 34 L 7.18 4.42 0.00 1.69 2.07 0.79 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.03 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 36 V 7.43 4.13 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 1.20 0.00 0.00 0.96 0.00 0.00 37 R 8.37 4.44 0.00 1.83 1.88 0.00 3.28 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 38 H 8.12 5.32 0.00 3.13 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 9.19 5.19 0.00 1.80 1.57 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.20 4.61 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 0.97 0.00 0.00 1.07 0.00 0.00 41 S 9.04 4.72 0.00 4.01 3.74 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 42 L 8.70 5.10 0.00 1.56 1.55 0.71 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.63 4.25 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 44 E 8.57 4.21 0.00 1.94 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 2.24 2.23 0.00 45 R 7.21 4.71 0.00 1.74 1.77 0.00 3.33 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 46 G 8.53 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 47 P 0.00 4.47 0.00 2.51 2.19 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 48 P 0.00 4.29 0.00 2.22 2.09 0.00 4.08 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 2.06 2.02 0.00 49 H 8.87 4.14 0.00 3.58 3.53 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.39 2.79 0.00 3.69 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 51 D 7.77 4.49 0.00 2.62 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 52 S 8.07 4.20 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 53 C 7.56 4.77 0.00 2.97 2.88 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 54 P 0.00 4.28 0.00 2.14 2.16 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 55 G 7.94 3.67 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 56 L 7.64 4.56 0.00 1.69 1.53 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.59 4.31 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 1.03 0.00 0.00 58 L 8.38 4.81 0.00 1.57 1.51 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.46 4.80 0.00 3.08 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.56 4.47 0.00 1.71 1.89 0.00 3.32 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 61 L 8.72 4.78 0.00 1.58 1.53 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.08 4.35 0.00 1.80 1.84 0.00 3.26 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 63 I 8.22 4.56 1.82 0.00 0.00 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 1.17 1.03 0.89 0.00 0.00 64 P 0.00 4.35 0.00 2.19 1.96 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 65 D 8.30 3.88 0.00 2.06 1.54 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 66 F 8.22 4.11 0.00 3.26 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 67 C 7.65 5.00 0.00 2.99 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 68 P 0.00 4.69 0.00 2.19 2.18 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 69 P 0.00 4.45 0.00 2.01 1.94 0.00 3.65 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 1.93 1.99 0.00 70 A 8.89 4.38 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 P 0.00 4.32 0.00 2.22 2.23 0.00 3.64 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 72 D 8.18 4.47 0.00 2.71 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 73 Q 8.09 4.04 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 74 I 7.73 3.74 2.00 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 1.51 0.79 0.28 0.00 0.00 75 D 8.18 4.51 0.00 2.97 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 76 R 8.08 3.90 0.00 2.07 2.16 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 77 F 8.65 4.14 0.00 3.06 3.25 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 78 V 8.04 3.44 2.35 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 1.18 0.00 0.00 1.15 0.00 0.00 79 Q 8.11 3.93 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 80 I 7.84 3.53 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.58 0.00 0.00 81 V 7.32 3.27 1.23 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 0.23 0.00 0.00 -0.13 0.00 0.00 82 D 8.19 4.41 0.00 2.88 2.72 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 83 E 8.32 3.95 0.00 2.21 2.17 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 2.35 2.45 0.00 84 A 7.91 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 8.58 4.54 0.00 2.81 2.90 0.00 0.00 6.44 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 86 A 7.71 4.10 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 87 R 7.32 4.44 0.00 2.02 1.98 0.00 3.28 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 88 G 7.93 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 89 E 8.19 4.89 0.00 2.11 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 2.26 2.45 0.00 90 A 8.61 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 91 V 9.06 4.69 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 1.10 0.00 0.00 0.83 0.00 0.00 92 G 9.29 4.58 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 0.00 0.00 0.00 93 V 8.83 5.21 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 0.77 0.00 0.00 0.75 0.00 0.00 94 H 9.35 5.72 0.00 3.50 3.38 0.00 5.67 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.29 4.61 0.00 2.85 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 96 A 8.96 4.18 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 97 L 8.17 4.34 0.00 1.81 1.94 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.29 3.73 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 0.00 0.00 0.00 99 F 8.00 4.77 0.00 3.10 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 0.00 100 G 7.67 3.87 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 0.00 0.00 0.00 101 R 8.30 3.87 0.00 1.73 1.91 0.00 3.12 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 102 T 8.06 3.82 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 1.13 0.00 0.00 103 G 8.11 3.70 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 0.00 0.00 0.00 104 T 7.94 3.88 4.28 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 0.00 0.00 1.22 0.00 0.00 *106 L 8.10 4.32 0.00 1.88 1.78 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.98 4.05 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 0.00 108 C 8.19 4.18 0.00 2.79 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 0.00 0.00 0.00 0.00 109 Y 8.04 4.15 0.00 3.34 3.21 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 0.00 110 L 7.97 3.77 0.00 1.98 1.71 1.11 1.24 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 0.00 111 V 7.74 3.82 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 1.39 0.00 0.00 1.05 0.00 0.00 112 K 8.01 3.95 0.00 2.16 1.89 0.00 1.62 0.00 0.00 1.41 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.71 7.81 113 E 8.29 3.97 0.00 1.16 1.49 0.00 0.00 0.00 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 0.00 114 R 7.91 4.54 0.00 2.00 1.88 0.00 3.49 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 115 G 7.46 4.09 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 0.00 0.00 0.00 116 L 7.13 4.15 0.00 1.83 1.48 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.01 3.07 0.99 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 0.00 118 A 6.98 3.56 0.05 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 0.00 119 G 7.41 3.61 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 0.00 0.00 0.00 120 D 7.86 4.37 0.00 2.70 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 0.00 121 A 7.96 3.97 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 0.00 122 I 7.98 3.67 1.99 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 1.43 0.94 0.94 0.00 0.00 123 A 8.03 4.00 1.39 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 0.00 0.00 0.00 124 E 8.24 3.88 0.00 2.22 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 2.31 2.41 0.00 125 I 7.70 3.73 1.88 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 1.80 0.94 0.93 0.00 0.00 126 R 8.16 4.17 0.00 2.09 1.99 0.00 3.14 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 127 R 7.85 3.90 0.00 1.98 2.13 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 128 L 8.05 4.33 0.00 1.67 1.73 0.95 1.20 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 0.00 129 R 8.48 4.62 0.00 1.95 1.93 0.00 3.06 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 130 P 0.00 4.96 0.00 2.05 2.02 0.00 3.78 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 131 G 8.93 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 0.00 132 S 7.72 4.60 0.00 3.98 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 0.00 133 I 8.22 3.54 1.90 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 1.37 0.40 0.94 0.00 0.00 134 E 8.06 4.12 0.00 2.08 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 2.31 2.34 0.00 135 T 8.16 4.53 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 1.28 0.00 0.00 136 Y 8.35 4.36 0.00 3.11 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 0.00 137 E 8.43 4.08 0.00 2.13 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 2.56 2.52 0.00 138 Q 8.10 4.00 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 139 E 8.13 4.03 0.00 2.01 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 0.00 2.39 2.58 0.00 140 K 8.44 3.78 0.00 1.46 1.88 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.45 7.81 141 A 8.13 4.03 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 0.00 142 V 7.65 3.63 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 1.01 0.00 0.00 0.98 0.00 0.00 143 F 8.50 4.01 0.00 3.25 3.15 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 0.00 144 Q 8.44 4.15 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 145 F 8.21 4.36 0.00 3.31 3.33 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 0.00 146 Y 8.39 4.11 0.00 2.96 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 0.00 147 Q 8.01 3.85 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 148 R 7.16 4.36 0.00 1.85 1.95 0.00 3.10 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.43 0.00 149 T 6.97 4.04 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 1.04 0.00 0.00 150 K 8.00 3.76 0.00 1.66 1.66 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.