NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6784 8.4444 117.8615 55.4712 30.1767 172.4907 1 M 4.1602 8.5590 124.3037 55.3154 32.8249 173.8114 2 K 4.7747 9.6076 126.6687 55.1407 35.4229 174.9877 3 I 4.8446 9.5540 124.5909 59.7500 39.9016 174.9205 4 F 5.6339 8.8133 125.7853 56.1107 41.9338 174.6132 5 L 5.1620 8.4028 121.0192 53.5013 43.8167 176.1220 6 D 4.9669 9.2007 124.7078 53.1747 39.6652 175.3411 7 T 4.4147 8.1477 115.3517 61.3988 71.0601 172.4272 8 A 4.5781 8.6114 125.3864 51.2829 20.4304 176.0877 9 N 4.5461 8.5237 117.1740 53.0970 40.0625 175.8342 10 L 4.0005 8.3841 128.1395 57.5257 41.8501 179.2581 11 E 3.8195 8.2112 119.0892 59.3105 29.3756 179.2020 12 E 3.2445 7.9428 117.3797 58.9284 29.5107 178.9697 13 I 3.7583 7.6105 116.0801 63.9370 37.6481 179.0990 *14 K 4.0194 8.4264 128.4758 60.1118 31.5640 182.7184 15 K 3.5634 8.0053 125.9651 59.5794 31.5585 180.7489 16 G 4.2363 7.9494 106.9510 48.0780 0.0000 175.9798 17 V 3.8126 7.9563 114.4811 63.8380 31.4164 178.4280 18 E 3.9561 8.1935 118.1861 59.2866 29.3452 179.1605 19 W 4.7417 8.1927 117.7699 57.3332 29.2238 176.7642 20 G 4.0289 8.1055 106.4897 46.8741 0.0000 174.4367 21 I 4.4195 8.0062 120.5914 60.5082 39.5398 176.1006 22 V 4.5407 7.9367 119.8754 61.5510 32.6536 174.6897 23 D 4.8215 9.0893 126.7481 54.8769 43.0875 176.0033 24 G 3.7913 7.4787 103.5317 45.8686 0.0000 172.0912 25 V 5.0209 7.8118 118.9630 61.2860 35.0524 174.5737 26 T 4.8751 8.9057 117.3728 60.3314 71.1849 173.3396 27 T 4.8631 8.1818 120.3046 62.1724 72.7380 172.4578 28 N 4.8812 8.7393 117.8690 51.4783 39.7399 173.0688 29 P 4.2525 0.0000 0.0000 66.4144 31.5500 178.4132 30 T 3.9508 7.9336 112.7563 65.2067 67.9177 176.0996 *43 V 4.1819 8.0316 123.5464 61.4578 34.1630 182.0295 *44 K 4.1364 8.1588 127.5013 60.3048 31.5591 181.3324 *45 E 4.2263 8.1219 119.4362 61.0114 29.5703 181.0017 46 I 3.8967 7.6314 120.2892 64.2583 37.2218 178.0464 47 C 4.1029 8.3160 120.0954 63.7421 27.8180 176.6624 *48 D 4.3849 7.9601 121.0757 58.0334 39.3446 179.9861 49 L 4.2403 7.3318 119.6914 58.2853 42.3793 178.8198 50 V 3.6139 7.8997 116.7387 63.0603 32.4392 175.7481 51 K 2.8951 7.8046 117.2529 55.9557 29.8629 172.8632 52 G 4.1800 6.3615 102.3399 45.2076 0.0000 171.6429 53 P 4.6111 0.0000 0.0000 63.0967 32.4334 175.9955 54 V 4.5591 8.6584 124.2706 61.0156 33.9597 174.5163 55 S 4.9405 8.8881 125.6804 58.2579 64.1237 173.5830 56 A 4.8562 9.0394 125.6348 50.2844 22.4945 175.1156 57 E 4.5534 8.8476 121.0449 56.0475 30.7408 176.8646 58 V 4.1045 7.5847 116.5758 60.6868 32.8843 177.0731 59 V 3.7237 8.5704 122.1362 66.0907 31.6392 177.1981 60 S 4.3992 8.7483 116.0865 58.6232 63.1365 174.7763 61 L 4.6988 8.2765 120.7407 54.6743 43.6643 177.4451 62 D 4.8756 7.7718 119.0728 52.5008 41.9326 176.2743 63 Y 4.1904 8.7105 122.6871 61.2449 38.8347 178.8012 64 E 3.6306 8.3595 118.7780 59.2748 29.6578 179.4969 65 G 3.6462 8.1440 106.5256 47.4332 0.0000 175.6161 66 M 4.0431 8.1955 121.3762 58.1060 32.0028 179.1017 67 V 3.4569 7.5550 118.2049 65.9153 31.5562 177.8729 68 R 3.8538 7.8212 117.8231 59.7897 29.9715 178.9307 69 E 3.9696 8.3361 117.6471 59.0829 29.3862 179.1708 70 A 3.9960 8.2218 121.1827 55.4266 17.9587 179.9309 71 R 3.9183 8.0130 116.4127 59.3527 29.8498 179.2721 72 E 4.6302 7.5759 118.8526 59.0060 29.7964 179.0522 73 L 4.1157 8.4170 119.2851 57.6741 41.7989 179.3532 74 A 4.0593 8.5138 121.4984 55.0860 18.3643 179.5749 75 Q 4.1072 7.8689 115.1849 59.0588 28.3270 178.8600 76 I 3.7073 7.4389 121.7595 63.4589 37.6447 176.0098 77 S 4.5658 7.0551 109.7352 57.0339 65.5519 175.8828 78 E 3.9501 8.6482 123.3651 59.0764 29.5356 177.5856 79 Y 4.4534 7.6236 116.4044 59.2962 38.4564 175.3868 80 V 4.1856 7.4798 120.7794 62.8638 32.2603 175.3607 81 V 4.6305 8.8348 127.7606 61.1738 34.5874 174.1061 82 I 4.6564 8.7380 129.2245 60.1737 38.0443 175.1917 83 K 4.7832 8.9791 128.1986 56.3351 33.2837 176.1792 84 I 4.8937 8.8896 126.3375 58.6460 40.6621 173.4819 85 P 4.7270 0.0000 0.0000 62.7187 33.0071 175.6885 86 M 4.7058 8.5731 122.7070 55.8786 30.7460 175.1599 87 T 4.7765 7.9799 113.9032 57.7911 72.9096 173.6544 88 P 4.2131 0.0000 0.0000 66.1917 31.1588 178.6368 89 D 4.4801 8.1826 116.9395 57.3244 40.7874 178.9284 90 G 3.7711 8.1327 107.5540 47.4056 0.0000 175.8597 91 I 3.7867 8.2277 122.6682 63.7941 37.2236 178.3569 92 K 3.8094 8.2942 120.4861 59.4532 31.9920 178.6882 93 A 4.3134 8.5738 121.3912 55.2723 18.2697 179.7279 94 V 3.5922 8.0256 116.8076 65.9264 31.4507 178.0767 95 K 4.1352 8.0031 120.6799 59.2932 31.6584 178.9560 96 T 3.9594 7.8921 115.4234 66.7878 68.3944 176.9047 97 L 4.0481 8.5485 121.2507 57.7404 41.6225 179.6554 98 S 4.0972 8.3721 115.1294 61.6973 62.5976 176.6561 99 A 4.0793 7.6245 122.1144 54.6601 18.1206 178.4775 100 E 4.4223 7.6233 114.3571 55.7558 29.7617 176.9417 101 G 3.8630 7.8158 106.8500 46.1111 0.0000 173.3067 102 I 4.3439 7.7282 120.7282 59.4509 38.1973 176.1052 103 K 4.4319 8.7271 127.1663 56.5672 33.0269 176.1134 104 T 5.1980 8.9947 113.6390 59.9644 72.6671 172.6000 105 N 5.3527 9.4962 121.9628 51.8782 41.9638 173.2290 106 V 4.3946 8.8563 128.1269 62.9726 32.8857 175.1553 107 T 4.7614 9.0329 122.8780 59.6293 70.8360 173.0980 108 L 2.7336 7.6956 119.7234 55.3708 39.0538 175.4166 109 V 4.3096 6.7555 116.7270 61.5739 32.7537 175.5117 110 F 4.8535 9.8331 124.4217 56.5266 40.5442 175.2224 111 S 4.7569 7.6770 115.1705 55.5515 67.0739 173.1053 112 P 4.3336 0.0000 0.0000 65.3123 31.1685 178.9631 113 A 4.0143 7.9998 119.5532 55.2571 18.3791 179.3694 114 Q 3.9459 7.9996 115.8379 59.2487 28.8531 179.1361 115 A 4.0823 7.8237 121.3104 55.0928 18.2651 179.8533 116 I 3.5250 7.8714 118.4974 64.4926 37.1300 178.5670 117 L 3.8625 7.7470 119.1125 57.5713 41.4124 179.3130 118 A 3.9266 8.0975 120.4473 55.2598 18.4869 179.5640 119 A 4.2018 7.5224 120.3227 54.7111 18.0215 180.0490 120 K 3.8030 7.5774 115.8065 59.3146 32.0773 179.0336 121 A 4.2055 8.2344 120.5640 52.9592 18.0565 178.6030 122 G 3.9364 7.5506 105.5729 45.2232 0.0000 173.9017 123 A 4.2229 7.4525 121.5664 51.7268 19.1418 179.0302 124 T 3.9988 8.6676 118.8143 66.3129 69.7083 174.1546 125 Y 5.4773 8.6601 117.3686 56.2932 42.8470 175.0167 126 V 4.8997 8.9505 114.1730 59.9743 35.9444 175.1967 127 S 5.6178 9.1457 120.6980 55.1406 64.1711 170.7729 128 P 4.5161 0.0000 0.0000 62.3295 32.6552 175.5496 129 F 4.8063 8.5243 123.7182 56.6058 38.7349 177.2068 130 V 3.6793 8.8136 124.0200 65.9132 31.6249 177.8899 131 G 3.7003 8.1132 105.5564 48.0392 0.0000 175.7702 132 R 4.1346 7.9097 118.9748 59.3145 30.3694 178.7746 133 M 4.3424 8.0574 117.3784 58.3862 31.8985 178.2390 134 D 4.4591 8.5116 119.4730 57.8348 40.8680 178.8038 135 D 4.4489 7.9764 117.2967 56.5417 40.1390 177.8879 136 L 4.2319 7.7929 118.1349 54.5949 41.4803 177.6494 137 S 4.0100 7.9234 114.0647 59.7391 60.8190 171.9957 138 N 4.6163 7.6421 115.6355 52.4668 38.5645 172.8975 139 D 4.3347 8.0915 123.0204 54.2253 38.8042 174.0319 140 G 3.6422 9.2001 112.4335 47.4880 0.0000 172.4478 141 M 4.0674 7.9974 120.0426 58.2706 32.3242 178.1785 142 R 3.8887 8.1271 118.9098 59.4975 30.3678 178.2108 143 M 4.0956 7.8462 117.1166 58.2710 31.0878 178.3110 144 L 3.9718 8.1784 121.6005 57.8693 42.3060 179.2237 145 G 3.5943 8.3697 105.8563 47.7893 0.0000 175.5546 146 E 4.0567 8.2637 120.8569 59.1933 29.3765 179.5013 147 I 3.6971 7.7508 119.9594 64.2505 37.0943 178.3846 148 V 3.5333 7.8817 119.3870 66.0900 31.3090 177.5474 149 E 3.9353 8.2581 118.7156 59.4579 29.3602 178.8894 150 I 3.8817 8.0337 119.7095 64.8051 37.2530 178.0847 151 Y 4.4190 8.8877 118.0380 61.2960 37.4604 178.4632 152 N 4.4129 8.5180 117.0439 56.3666 38.6963 176.8618 153 N 4.2262 8.0333 117.0809 55.4747 37.8872 175.9539 154 Y 4.4794 7.4831 115.6230 56.0210 39.3687 175.8095 155 G 3.9510 8.0272 108.0081 45.7389 0.0000 174.1696 156 F 4.3409 6.9243 113.7889 57.5897 39.5432 177.2726 157 E 3.9155 8.8286 124.0874 59.1526 29.9308 177.7085 158 T 4.1764 7.1404 113.8725 64.5773 69.6346 173.0235 159 E 5.1954 9.0372 125.1938 55.0018 32.3671 175.0441 160 I 4.6649 9.2814 125.2446 60.3115 39.1642 174.7990 161 I 4.4630 8.9560 122.0342 58.8405 39.3112 174.9200 162 A 4.0939 8.8610 130.5393 52.4608 19.3862 176.0408 163 A 4.5204 8.4909 123.6047 49.7052 23.2069 175.2563 164 S 3.6066 7.6520 109.3971 59.2970 60.6833 171.8672 165 I 4.2639 7.4844 118.9739 60.6572 37.9295 176.3976 166 R 4.5248 8.4398 123.1765 56.8908 32.3560 175.1027 167 H 4.6974 7.4261 111.0158 52.7427 31.1110 172.6538 168 P 4.2205 0.0000 0.0000 66.2009 30.8992 178.9171 169 M 4.1433 8.1298 116.8648 58.4296 31.9098 178.1906 170 H 4.2037 7.8737 116.7982 58.8761 28.7774 177.9584 171 V 3.5371 7.5456 119.4213 65.9529 31.4598 178.1761 172 V 3.5389 7.8219 117.9889 66.0914 31.5185 177.9147 173 E 3.9452 8.6191 118.5842 59.1531 29.2420 179.1666 174 A 3.9498 8.1372 120.7207 55.1156 18.5908 179.5326 175 A 3.9144 8.1600 119.3799 55.3543 18.2283 179.9207 176 L 4.0115 7.9996 116.7984 57.4389 41.7579 178.6852 177 M 4.3335 7.8308 114.4657 54.8481 31.9540 176.0923 178 G 3.7575 7.8417 107.7174 46.4502 0.0000 174.5295 179 V 3.7963 7.4172 118.2720 61.2140 32.5312 175.9554 180 D 4.5906 8.7852 122.2077 57.2796 41.7485 176.3378 181 I 4.9470 7.9482 117.9175 59.3906 42.1403 174.3922 182 V 4.5588 8.4461 125.2901 61.3350 34.0460 173.8868 183 T 5.2570 8.4331 123.3199 60.7496 68.7990 173.4077 184 M 4.9501 8.8614 124.7199 52.9371 35.5536 172.9789 185 P 4.7218 0.0000 0.0000 62.2484 32.4873 177.4774 186 F 4.3437 9.0855 122.4302 61.5795 39.1336 177.2032 187 A 3.8741 8.2086 119.9063 55.3485 17.8693 179.6820 188 V 3.5146 7.5390 115.1231 65.8828 31.8861 177.4965 189 L 4.0222 7.7311 119.8789 58.1654 41.4425 178.6131 190 E 3.9304 8.1840 118.8406 59.5879 29.3037 179.5959 191 K 4.0115 7.7653 118.3837 59.4402 31.8521 179.3072 192 L 3.8574 7.3434 118.2245 57.7505 41.4862 179.3253 193 F 3.9746 7.6138 115.9195 58.6876 39.1971 175.7655 194 K 4.5153 7.4942 117.6369 55.6306 33.5307 176.1434 195 H 4.6628 8.2167 120.2074 53.3262 33.9216 172.9539 196 P 4.2925 0.0000 0.0000 66.2269 31.1298 178.6737 197 M 4.1704 8.2268 118.0473 58.1374 31.9526 178.5987 198 T 3.7644 7.8826 115.7182 66.7936 68.7132 176.2207 199 D 4.3440 7.9252 120.2651 57.2265 40.7182 178.9211 200 L 4.0924 8.0844 119.7986 57.6548 41.6354 179.6353 201 G 3.4924 8.1839 105.7968 47.8949 0.0000 175.7930 202 I 3.6321 7.7101 122.1679 64.0080 36.9459 178.3659 203 E 4.0152 8.1618 119.5165 59.4470 29.2930 179.4717 204 R 4.6070 8.2374 120.1942 59.1253 30.1553 178.5992 205 F 4.5144 9.1022 117.7988 60.4922 38.9589 177.4119 206 M 4.4212 8.1481 118.7359 57.7671 31.9295 178.5515 207 E 4.0183 7.9786 119.2013 59.6203 29.6373 178.8182 208 D 4.4081 8.1226 118.8324 57.4834 41.0126 179.2147 209 W 4.0392 8.1396 118.9603 59.6421 28.7731 178.8802 210 K 4.2481 8.2415 120.1051 59.8979 31.4784 179.9947 211 K 4.1950 8.9037 124.4644 59.8253 31.5709 180.3628 212 Y 4.3355 9.0499 124.8655 61.3816 38.4874 179.2236 213 L 4.0772 8.0576 121.3339 59.0407 41.1291 180.3217 214 E 4.3218 7.7796 114.1122 58.5178 29.6832 176.7075 215 N 4.4552 7.5241 122.3041 53.3393 38.8071 174.5753 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 0 H 8.44 4.68 0.00 3.15 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.56 4.16 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 2 K 9.61 4.77 0.00 1.66 1.54 0.00 1.62 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.57 7.81 3 I 9.55 4.84 2.14 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 1.19 0.74 0.97 0.00 0.00 4 F 8.81 5.63 0.00 2.85 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 5 L 8.40 5.16 0.00 1.66 1.64 1.08 1.46 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 6 D 9.20 4.97 0.00 2.65 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 7 T 8.15 4.41 4.35 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 1.19 0.00 0.00 8 A 8.61 4.58 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 9 N 8.52 4.55 0.00 2.67 2.59 0.00 0.00 7.19 6.38 0.00 0.00 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 L 8.38 4.00 0.00 1.65 1.62 0.88 0.92 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 11 E 8.21 3.82 0.00 2.09 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 2.26 0.00 12 E 7.94 3.24 0.00 1.16 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 2.32 2.09 0.00 13 I 7.61 3.76 1.81 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 1.42 0.65 0.89 0.00 0.00 *14 K 8.43 4.02 0.00 1.74 1.86 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.33 7.81 15 K 8.01 3.56 0.00 1.72 1.87 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 16 G 7.95 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 0.00 0.00 0.00 0.00 17 V 7.96 3.81 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 0.77 0.00 0.00 0.97 0.00 0.00 18 E 8.19 3.96 0.00 1.88 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 2.25 0.00 19 W 8.19 4.74 0.00 3.77 3.27 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 20 G 8.11 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 21 I 8.01 4.42 2.17 0.00 0.00 0.78 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 0.99 0.98 0.00 0.00 22 V 7.94 4.54 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 0.92 0.00 0.00 1.17 0.00 0.00 23 D 9.09 4.82 0.00 2.97 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 24 G 7.48 3.79 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 0.00 0.00 0.00 25 V 7.81 5.02 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 1.08 0.00 0.00 0.83 0.00 0.00 26 T 8.91 4.88 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 1.28 0.00 0.00 27 T 8.18 4.86 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 1.24 0.00 0.00 28 N 8.74 4.88 0.00 2.82 2.86 0.00 0.00 6.01 7.75 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 29 P 0.00 4.25 0.00 2.08 2.18 0.00 3.75 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 2.05 2.17 0.00 30 T 7.93 3.95 4.35 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 1.22 0.00 0.00 *43 V 8.03 4.18 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 0.74 0.00 0.00 0.93 0.00 0.00 *44 K 8.16 4.14 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 3.80 0.00 1.79 1.80 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.41 7.81 121 A 8.23 4.21 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 0.00 122 G 7.55 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 0.00 123 A 7.45 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.67 4.00 4.52 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 0.76 0.00 0.00 125 Y 8.66 5.48 0.00 2.89 2.84 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 0.00 0.00 0.00 126 V 8.95 4.90 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 0.83 0.00 0.00 1.02 0.00 0.00 127 S 9.15 5.62 0.00 3.83 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 0.00 128 P 0.00 4.52 0.00 2.00 1.89 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 129 F 8.52 4.81 0.00 2.00 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 0.00 130 V 8.81 3.68 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 0.94 0.00 0.00 0.85 0.00 0.00 131 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 0.00 132 R 7.91 4.13 0.00 2.32 2.31 0.00 3.76 0.00 0.00 3.46 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 133 M 8.06 4.34 0.00 2.17 2.45 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 3.17 0.00 134 D 8.51 4.46 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 0.00 135 D 7.98 4.45 0.00 2.87 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 0.00 136 L 7.79 4.23 0.00 1.84 1.70 0.88 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 137 S 7.92 4.01 0.00 4.02 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 0.00 138 N 7.64 4.62 0.00 2.93 2.86 0.00 0.00 6.82 7.94 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 0.00 139 D 8.09 4.33 0.00 2.95 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 0.00 140 G 9.20 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 0.00 141 M 8.00 4.07 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.86 0.00 142 R 8.13 3.89 0.00 2.19 2.03 0.00 3.25 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 143 M 7.85 4.10 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 144 L 8.18 3.97 0.00 1.74 1.82 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.37 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 4.06 0.00 2.20 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 2.35 2.58 0.00 147 I 7.75 3.70 1.89 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 1.38 0.83 0.40 0.00 0.00 148 V 7.88 3.53 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 1.13 0.00 0.00 0.92 0.00 0.00 149 E 8.26 3.94 0.00 2.24 2.15 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 2.32 2.41 0.00 150 I 8.03 3.88 2.31 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.85 1.43 0.00 0.00 151 Y 8.89 4.42 0.00 3.28 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 0.00 152 N 8.52 4.41 0.00 2.83 2.87 0.00 0.00 7.07 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.03 4.23 0.00 2.31 2.00 0.00 0.00 6.89 7.00 0.00 0.00 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 Y 7.48 4.48 0.00 1.68 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 0.00 0.00 0.00 155 G 8.03 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 0.00 156 F 6.92 4.34 0.00 2.54 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.83 3.92 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 2.32 2.40 0.00 158 T 7.14 4.18 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 1.41 0.00 0.00 159 E 9.04 5.20 0.00 1.92 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 2.31 2.42 0.00 160 I 9.28 4.66 1.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.52 0.77 0.00 0.00 161 I 8.96 4.46 1.71 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 1.14 0.60 0.94 0.00 0.00 162 A 8.86 4.09 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 0.00 163 A 8.49 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 S 7.65 3.61 0.00 3.46 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 0.00 165 I 7.48 4.26 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 0.88 0.00 0.00 166 R 8.44 4.52 0.00 1.78 2.00 0.00 3.44 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 167 H 7.43 4.70 0.00 3.25 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.22 0.00 2.16 2.12 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 169 M 8.13 4.14 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 170 H 7.87 4.20 0.00 3.19 3.23 0.00 5.64 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 0.00 171 V 7.55 3.54 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 1.05 0.00 0.00 0.89 0.00 0.00 172 V 7.82 3.54 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 1.03 0.00 0.00 0.96 0.00 0.00 173 E 8.62 3.95 0.00 2.10 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 2.33 2.47 0.00 174 A 8.14 3.95 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 0.00 175 A 8.16 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.00 4.01 0.00 1.76 1.73 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 177 M 7.83 4.33 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.79 0.00 178 G 7.84 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 0.00 179 V 7.42 3.80 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 0.70 0.00 0.00 0.92 0.00 0.00 180 D 8.79 4.59 0.00 2.86 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 0.00 181 I 7.95 4.95 1.73 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.66 -0.12 0.00 0.00 182 V 8.45 4.56 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 0.88 0.00 0.00 0.85 0.00 0.00 183 T 8.43 5.26 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 1.16 0.00 0.00 184 M 8.86 4.95 0.00 2.07 2.08 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 2.52 2.73 0.00 185 P 0.00 4.72 0.00 2.24 2.06 0.00 3.61 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 2.12 2.08 0.00 186 F 9.09 4.34 0.00 3.26 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 0.00 187 A 8.21 3.87 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 0.00 188 V 7.54 3.51 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 0.84 0.00 0.00 0.93 0.00 0.00 189 L 7.73 4.02 0.00 1.90 1.86 0.84 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.18 3.93 0.00 2.03 1.88 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 2.02 1.58 0.00 191 K 7.77 4.01 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 192 L 7.34 3.86 0.00 1.35 1.49 0.80 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 193 F 7.61 3.97 0.00 3.05 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 0.00 194 K 7.49 4.52 0.00 1.84 1.71 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.38 7.81 195 H 8.22 4.66 0.00 3.13 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.29 0.00 2.27 2.24 0.00 3.14 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 197 M 8.23 4.17 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.64 0.00 198 T 7.88 3.76 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 199 D 7.93 4.34 0.00 2.83 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 0.00 200 L 8.08 4.09 0.00 1.85 1.72 0.93 0.85 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 0.00 201 G 8.18 3.49 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 0.00 202 I 7.71 3.63 1.94 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 1.39 0.58 0.90 0.00 0.00 203 E 8.16 4.02 0.00 2.24 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 2.52 0.00 204 R 8.24 4.61 0.00 2.02 2.36 0.00 3.23 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 205 F 9.10 4.51 0.00 3.02 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 0.00 206 M 8.15 4.42 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.67 0.00 207 E 7.98 4.02 0.00 2.26 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 2.38 2.62 0.00 208 D 8.12 4.41 0.00 2.69 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 0.00 209 W 8.14 4.04 0.00 3.44 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 0.00 210 K 8.24 4.25 0.00 2.39 1.95 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.32 7.81 211 K 8.90 4.19 0.00 1.72 1.81 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 212 Y 9.05 4.34 0.00 2.80 3.08 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 0.00 213 L 8.06 4.08 0.00 1.83 1.57 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 214 E 7.78 4.32 0.00 2.42 2.13 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 2.30 2.22 0.00 215 N 7.52 4.46 0.00 2.49 2.67 0.00 0.00 6.81 7.41 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 * Residues marked with a * may have inaccurate shift predictions.