NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.1485 8.1233 122.4471 51.2463 21.1305 176.2891 4 F 5.2205 8.5128 113.7769 55.3632 43.3402 172.3143 5 R 5.3355 9.4910 121.6706 54.2307 33.8923 174.3170 6 Y 3.3881 9.1156 125.7142 58.3312 38.8865 174.9840 7 T 4.4805 7.8239 116.3478 62.4673 70.7083 174.3734 8 R 4.2519 6.3698 116.1358 54.9729 32.2302 173.1061 9 S 5.3254 8.6624 115.3314 56.9559 66.1506 173.5047 10 Q 4.4660 8.8093 122.6112 54.6044 32.5891 173.8598 11 S 5.1254 8.4345 121.7404 57.8274 64.2856 173.5456 12 F 5.0780 9.2458 122.3149 55.6837 43.0981 174.3545 13 D 4.8704 9.2650 122.3926 54.3581 42.2479 175.2807 14 I 5.0847 7.6957 120.1512 59.5434 41.2516 174.1673 15 F 5.0003 8.9844 126.4290 55.5566 43.6465 174.3805 16 D 4.9623 9.1324 122.2372 52.5682 40.9889 176.8702 17 I 3.7469 8.0720 117.7618 62.8409 37.9054 175.6068 18 N 4.7658 8.2267 116.6970 53.6592 38.8246 174.1554 19 Q 3.7973 8.2765 113.1653 56.5350 26.7962 173.5626 20 K 4.5947 8.5481 118.2270 56.4501 33.5348 176.3665 21 C 4.6526 9.0670 119.0935 56.5604 33.1022 172.1522 22 F 5.5031 8.0963 117.0083 56.6339 40.4338 175.7834 23 V 4.6879 8.8451 115.5222 59.4324 35.9701 175.2962 24 L 4.2919 8.2810 125.2315 53.5945 40.9842 175.9598 25 E 4.0577 8.6356 128.1948 58.5520 30.0363 176.9262 26 S 4.6685 7.4519 110.7536 55.8750 66.0251 172.7629 27 P 4.2699 0.0000 0.0000 64.9752 31.0526 177.3684 28 T 4.4796 7.3111 104.9494 60.9703 69.3814 173.6432 29 Q 4.3851 8.1083 124.3460 55.0716 32.6031 173.5511 30 L 4.7416 8.4255 126.3000 54.2079 43.5757 176.0966 31 V 4.9192 8.6738 114.6848 59.4849 36.1194 174.1749 32 A 5.5603 8.4727 123.9270 50.3228 21.5163 175.7070 33 L 4.8283 8.9108 121.4205 54.6189 44.9124 175.1270 34 H 4.8758 8.7053 117.0603 54.8315 28.7860 174.8474 35 L 4.3832 8.4747 126.2004 54.4792 42.9983 176.0033 36 Q 4.5546 8.7304 124.5778 57.1250 34.1175 174.7064 37 G 3.8711 9.2360 115.9023 47.9199 0.0000 175.7081 38 P 4.8898 0.0000 0.0000 59.1031 31.3526 173.6510 39 S 4.6545 7.8597 117.1816 57.0868 65.4238 174.1519 40 S 4.5753 8.4148 116.6449 58.1761 63.4680 174.6878 41 S 4.1974 7.9506 118.3798 58.9729 63.0262 173.2773 42 Q 4.5962 8.4537 124.0314 53.4685 30.2225 175.5111 43 K 4.1100 8.6205 124.6696 56.5525 32.8180 175.9968 44 V 4.0645 8.5922 127.0396 62.8222 32.1796 175.4479 45 R 4.7633 8.6567 125.8253 54.6504 33.4227 174.6283 46 L 4.9718 8.6242 121.2242 53.2711 44.4012 175.4382 47 N 5.0730 8.9719 123.3925 52.3558 39.9712 173.8078 48 I 4.7061 9.0479 129.0963 60.2847 38.4761 175.2100 49 A 4.7158 9.1998 131.2530 50.9662 19.9826 175.7901 50 L 4.5869 8.8575 126.1064 54.8263 43.5050 175.2741 51 Y 5.0213 8.8756 123.4283 56.3501 41.0392 175.0965 52 R 4.8427 8.9743 121.0617 53.8257 32.6093 174.3362 53 P 4.8791 0.0000 0.0000 63.7330 31.7850 177.0674 54 R 4.4679 9.2594 122.7263 57.0476 31.2293 175.9526 *60 A 3.9658 7.9263 119.8039 52.7296 19.5731 176.2608 61 G 3.9702 8.5821 111.9677 44.2268 0.0000 173.6308 62 T 4.2717 8.0278 116.4902 59.9416 70.8236 173.7019 63 G 3.7032 8.4585 116.6464 43.8649 0.0000 173.0798 64 Q 4.2557 8.4522 125.6281 56.8860 28.2350 176.7572 65 M 5.0030 8.4707 123.5550 53.8341 34.9948 171.1549 66 P 4.7316 0.0000 0.0000 62.4000 33.2469 175.9508 67 V 5.2906 9.1479 115.8067 59.7632 36.5195 174.0872 68 A 5.4783 9.2252 123.9534 49.7007 22.2137 176.0995 69 L 4.7147 8.8486 120.3609 53.0124 43.7323 175.6914 70 G 3.2104 8.7833 112.3863 45.0058 0.0000 171.8095 71 I 4.4764 8.3022 125.7610 59.2552 37.7132 175.2124 72 K 4.0343 8.6344 129.5507 57.8291 32.2701 177.4173 73 G 3.7942 9.0741 114.7424 45.5518 0.0000 172.9340 74 Y 4.5340 7.6438 115.1830 56.7578 38.9246 175.6460 75 K 3.9332 8.0689 118.4565 57.6669 29.7990 174.5155 76 L 5.2484 7.6983 116.1961 53.2083 45.6834 175.4095 77 Y 5.1252 8.9667 118.9477 56.2658 41.5365 175.3115 78 M 4.9176 9.0145 123.0280 55.7910 33.0077 175.9119 79 S 4.9155 9.4371 115.8629 57.2953 67.2287 172.2629 80 C 5.1874 8.3837 118.7238 58.2396 29.9190 173.9152 81 V 4.6801 8.3974 115.8317 59.7448 36.4243 173.9126 82 M 4.4954 8.6887 122.5877 55.4063 33.2531 175.4833 83 S 4.5100 8.7660 120.3878 57.2417 65.9126 174.2354 84 G 3.9147 8.6351 119.3165 47.3138 0.0000 173.7351 85 T 4.5937 8.8717 111.3654 60.6742 69.0536 172.8383 86 E 4.6800 8.0800 121.2722 54.1321 32.9947 173.7393 87 P 3.9490 0.0000 0.0000 62.9094 31.9145 175.9545 88 T 4.5184 8.1079 119.5958 61.6254 73.1423 172.6891 89 L 4.7880 8.4571 127.8597 54.5616 43.1398 175.5077 90 Q 4.7226 9.3726 123.5086 54.4297 32.8346 173.6068 91 L 5.2434 8.4260 118.7781 53.0141 44.1422 176.0093 92 E 4.8439 9.2068 122.7601 54.1693 33.3846 175.1808 93 E 4.6053 9.1943 122.8438 56.2600 29.9332 176.2118 94 A 4.7233 8.4522 125.4302 50.6528 22.3972 175.5430 95 D 4.6268 8.5356 121.2538 53.0258 42.1696 176.3652 96 V 3.3925 8.0558 120.4064 63.1363 31.8240 174.8746 97 M 4.3321 8.0305 127.0154 53.6572 32.9272 175.8135 98 R 4.0854 8.6032 125.3642 58.7021 31.5159 175.8662 99 D 5.4657 8.1087 116.9418 52.4927 44.1826 175.8236 100 I 4.4795 9.0709 124.6661 59.2564 39.0940 175.2997 101 D 5.0821 8.4954 126.3163 51.6804 40.4667 175.9346 102 S 4.6679 7.8022 112.9764 56.4849 67.0870 174.1310 103 V 3.5294 8.3560 122.3558 66.1539 31.3531 177.5310 104 E 4.0135 8.1083 118.3998 59.5255 29.5577 178.7618 105 L 4.2332 8.1141 118.1883 57.4315 41.6512 179.2264 106 T 3.9656 7.8493 116.0552 65.6598 68.2615 176.1709 107 R 3.6735 7.5394 118.7251 59.0451 28.8810 178.0343 108 F 4.7319 7.9437 116.6993 57.4002 39.3994 174.7119 109 I 4.4146 7.0987 121.1421 59.7510 38.8901 174.8803 110 F 5.0430 9.1140 124.9117 55.7605 43.2037 173.7026 111 Y 5.0018 9.2408 120.2583 57.0199 39.2594 174.8329 112 R 4.3889 9.0833 126.5798 56.0595 30.9533 175.8449 113 L 4.6462 9.0357 128.0427 53.2894 43.2815 175.2202 114 D 4.9726 8.5391 123.6300 53.4558 42.7175 177.2784 115 S 4.5521 8.8079 119.4845 56.2010 62.8829 173.1219 116 P 4.2658 0.0000 0.0000 65.6244 31.6974 178.3516 117 T 3.9953 8.0635 113.6948 66.5204 67.1976 174.9013 118 E 4.2169 8.2288 118.5096 55.8046 30.1532 177.1244 119 G 3.8447 7.9040 106.8270 46.4852 0.0000 173.4343 120 T 4.8551 7.0659 107.1088 60.2222 72.0161 173.2220 121 T 5.0777 8.7377 117.2605 62.1701 73.3320 173.4924 122 R 5.2516 8.8848 123.2139 54.4596 34.6500 174.8010 123 F 5.4739 9.0366 118.7635 56.0586 42.2763 173.5182 124 E 4.6762 9.2309 125.9544 54.0710 31.3196 175.1641 125 S 3.9838 9.2534 122.4576 58.6441 62.9459 174.8260 126 A 4.2821 8.4182 129.1208 54.7844 18.2374 178.8746 127 A 3.9492 7.9276 117.4253 54.2888 19.3218 177.5943 128 F 4.6644 8.1915 114.3991 54.3331 39.0623 172.3890 129 P 4.7279 0.0000 0.0000 63.5113 32.3002 177.3586 130 G 4.1208 9.9888 110.9052 44.7711 0.0000 172.5658 131 W 5.3417 8.2530 120.2317 55.0179 31.6842 175.1765 132 F 5.5911 9.5230 122.5504 55.4416 42.3319 174.5747 133 I 4.6619 9.0505 123.8968 61.8940 37.9825 175.0215 134 C 5.4828 9.8811 121.3106 55.8575 33.6245 172.9260 135 T 5.0256 9.0878 110.0658 59.7411 71.7206 173.7462 136 S 4.6338 8.5371 116.6037 57.7722 63.1695 174.3255 137 L 4.1452 8.3802 124.1033 57.2019 41.7005 177.8207 138 Q 4.4336 7.7878 117.6092 53.8429 29.1384 174.0245 139 P 4.5659 0.0000 0.0000 63.5426 32.1508 175.9116 140 R 3.8011 8.7768 115.5559 57.7565 28.1539 176.3500 141 Q 4.8251 7.1217 111.7850 53.1231 32.3429 173.8575 142 P 4.7393 0.0000 0.0000 62.7760 32.1678 176.4568 143 V 3.8053 8.3261 123.9995 63.2393 32.2345 175.7766 144 G 4.2668 8.9349 114.0446 45.1990 0.0000 170.8907 145 I 5.5413 8.5328 112.3658 59.6747 40.9037 174.8786 146 T 4.7480 9.1357 117.2574 60.6422 70.9931 173.6911 147 N 4.8328 7.3081 122.7633 52.0187 38.4322 175.3677 148 Q 4.5089 7.7729 117.7443 53.5961 28.9345 173.3898 149 P 4.2771 0.0000 0.0000 64.3692 31.9452 177.0448 150 D 4.8972 9.2445 120.9629 55.0583 37.6025 174.1167 151 Q 4.2560 7.7064 122.0180 54.8467 28.5269 175.2281 152 V 3.2635 8.2728 126.1676 62.8712 30.2706 171.2335 153 N 4.7061 7.2542 111.0649 51.9032 40.4607 172.3829 154 I 4.6831 8.7307 119.0316 59.1930 39.7087 176.3083 155 A 5.1556 9.3350 127.7634 50.6782 20.5358 175.3179 156 T 4.6841 7.3532 114.3788 63.0943 71.4142 172.8623 157 Y 5.2371 8.9797 122.4818 56.0929 43.0920 174.3964 158 K 4.9414 9.3678 120.5017 54.8379 34.9949 175.4080 159 L 5.3480 8.6736 125.1427 53.2910 43.9661 176.2342 160 S 4.8053 9.3345 116.5938 57.2058 66.4690 173.6747 161 G 3.4767 8.6113 113.7966 44.9887 0.0000 173.1137 *162 R 4.1219 8.5259 117.1644 56.4785 30.1199 171.0712 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 3 A 8.12 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.51 5.22 0.00 2.94 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 5 R 9.49 5.34 0.00 1.82 1.90 0.00 3.19 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 6 Y 9.12 3.39 0.00 2.85 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 7 T 7.82 4.48 4.15 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 1.19 0.00 0.00 8 R 6.37 4.25 0.00 1.77 1.91 0.00 2.88 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 9 S 8.66 5.33 0.00 3.85 4.04 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 10 Q 8.81 4.47 0.00 2.05 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 1.46 2.06 0.00 11 S 8.43 5.13 0.00 3.68 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 12 F 9.25 5.08 0.00 2.90 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 13 D 9.27 4.87 0.00 2.70 2.66 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 14 I 7.70 5.08 1.71 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.82 0.36 0.00 0.00 15 F 8.98 5.00 0.00 3.00 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 16 D 9.13 4.96 0.00 2.65 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 17 I 8.07 3.75 1.90 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 1.13 0.65 0.85 0.00 0.00 18 N 8.23 4.77 0.00 2.69 2.80 0.00 0.00 7.09 7.08 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 19 Q 8.28 3.80 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.64 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 20 K 8.55 4.59 0.00 2.08 1.90 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.00 1.33 7.81 21 C 9.07 4.65 0.00 2.55 2.47 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 22 F 8.10 5.50 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.85 4.69 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 0.75 0.00 0.00 0.93 0.00 0.00 24 L 8.28 4.29 0.00 0.99 1.11 0.76 0.17 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 25 E 8.64 4.06 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 2.29 2.22 0.00 26 S 7.45 4.67 0.00 3.95 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 27 P 0.00 4.27 0.00 2.05 2.17 0.00 3.60 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 2.03 2.09 0.00 28 T 7.31 4.48 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 29 Q 8.11 4.39 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.95 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 30 L 8.43 4.74 0.00 1.29 1.15 0.44 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.67 4.92 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 0.91 0.00 0.00 32 A 8.47 5.56 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 33 L 8.91 4.83 0.00 1.75 1.75 0.97 1.02 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 34 H 8.71 4.88 0.00 3.12 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.47 4.38 0.00 1.68 1.66 1.01 0.80 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 36 Q 8.73 4.55 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 37 G 9.24 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 38 P 0.00 4.89 0.00 2.04 1.80 0.00 3.77 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 1.82 1.54 0.00 39 S 7.86 4.65 0.00 3.79 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 40 S 8.41 4.58 0.00 4.03 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 41 S 7.95 4.20 0.00 3.91 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 42 Q 8.45 4.60 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.56 0.00 43 K 8.62 4.11 0.00 1.72 1.72 0.00 1.40 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.27 7.81 44 V 8.59 4.06 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 0.86 0.00 0.00 0.93 0.00 0.00 45 R 8.66 4.76 0.00 1.79 1.89 0.00 3.37 0.00 0.00 3.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 46 L 8.62 4.97 0.00 1.63 1.53 0.68 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.97 5.07 0.00 2.71 2.73 0.00 0.00 6.92 7.40 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 48 I 9.05 4.71 2.21 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 1.04 0.00 0.00 49 A 9.20 4.72 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 0.00 0.00 0.00 0.00 0.00 50 L 8.86 4.59 0.00 1.73 1.54 1.00 0.74 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 51 Y 8.88 5.02 0.00 2.97 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 52 R 8.97 4.84 0.00 1.80 1.91 0.00 3.17 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 53 P 0.00 4.88 0.00 1.98 2.00 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.49 0.00 54 R 9.26 4.47 0.00 1.46 1.79 0.00 3.30 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 *60 A 7.93 3.97 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 61 G 8.58 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 0.00 0.00 0.00 62 T 8.03 4.27 2.69 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.79 4.43 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 139 P 0.00 4.57 0.00 2.25 2.22 0.00 3.86 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 2.11 2.06 0.00 140 R 8.78 3.80 0.00 1.96 2.08 0.00 3.12 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 141 Q 7.12 4.83 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.61 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 142 P 0.00 4.74 0.00 1.90 2.06 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 143 V 8.33 3.81 1.68 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 0.40 0.00 0.00 0.30 0.00 0.00 144 G 8.93 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 0.00 0.00 0.00 0.00 145 I 8.53 5.54 2.28 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 1.14 0.00 0.00 146 T 9.14 4.75 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 1.27 0.00 0.00 147 N 7.31 4.83 0.00 2.29 1.42 0.00 0.00 6.18 7.39 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 0.00 148 Q 7.77 4.51 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 149 P 0.00 4.28 0.00 1.64 1.43 0.00 3.76 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 0.00 150 D 9.24 4.90 0.00 2.73 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 0.00 151 Q 7.71 4.26 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.32 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 152 V 8.27 3.26 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 0.91 0.00 0.00 153 N 7.25 4.71 0.00 3.11 2.89 0.00 0.00 6.83 7.22 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 0.00 154 I 8.73 4.68 1.83 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 0.62 0.72 0.00 0.00 155 A 9.33 5.16 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 0.00 156 T 7.35 4.68 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 1.13 0.00 0.00 157 Y 8.98 5.24 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 0.00 158 K 9.37 4.94 0.00 1.73 1.75 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 159 L 8.67 5.35 0.00 1.43 1.49 0.58 0.86 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 0.00 160 S 9.33 4.81 0.00 3.94 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 0.00 161 G 8.61 3.48 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 0.00 *162 R 8.53 4.12 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.