NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7657 8.2833 118.2202 52.7866 38.6073 175.3376 3 L 3.9312 7.5601 119.9049 56.8983 42.0334 177.8681 4 K 4.0331 8.7933 121.0700 59.8121 32.7953 178.2075 5 D 4.4300 8.1178 118.4988 56.9847 40.6710 178.8534 6 K 4.0249 8.2047 119.4266 59.4738 31.9934 179.4287 7 I 3.7393 7.9575 120.0926 64.2493 37.0342 178.5134 8 L 4.0433 8.3923 120.1798 57.7959 41.3281 179.4131 9 G 3.7324 8.4952 105.8713 48.3235 0.0000 175.8833 10 V 3.5755 8.2425 121.2876 64.7726 31.5306 178.0825 11 A 3.6653 8.1721 121.0633 54.8605 18.3771 179.1233 12 K 4.0021 8.1216 118.0239 60.0470 32.2134 178.6655 13 E 3.9647 7.8595 118.3727 59.5405 29.4034 179.4741 14 L 3.9439 7.6648 118.3687 57.6737 41.5405 179.6260 15 F 4.5720 8.1259 117.9085 60.4296 38.5995 177.8873 16 I 3.7954 7.4766 118.5908 64.1039 36.9907 178.0059 17 K 4.0859 7.9451 119.6248 58.7521 32.2111 177.7684 18 N 4.7797 8.2954 114.2028 52.5467 39.9819 175.8975 19 G 3.9043 8.1143 108.8076 44.7026 0.0000 172.6887 20 Y 4.1894 8.5785 118.3893 60.8033 39.0160 177.8977 21 N 4.2759 8.6432 115.0769 56.4200 38.6710 176.4240 22 A 4.0079 7.8358 117.9798 54.0318 18.7282 177.4059 23 T 3.9540 7.3486 113.3177 63.0067 67.9543 174.8878 24 T 4.3710 7.8893 117.8004 60.6847 72.0141 175.5878 25 T 3.8979 8.3708 116.9205 64.9456 67.4282 177.0295 26 G 3.5270 7.9465 107.5873 47.5664 0.0000 174.8946 27 E 3.8415 7.6945 120.8784 59.1268 29.7207 178.6701 28 I 3.5267 7.4610 119.6594 64.7454 36.7329 178.4426 29 V 3.6558 7.6843 120.6610 66.3279 31.0947 178.8663 30 K 4.0143 8.2868 122.8599 59.9065 31.7608 181.0267 31 L 4.3593 8.2356 118.8651 56.2850 41.5943 178.3488 32 S 4.5263 7.5216 111.0506 56.4154 63.8311 173.5653 33 E 3.7432 8.0077 117.2962 56.9450 26.4323 172.8501 34 S 4.5419 7.7037 110.2820 56.6353 66.0788 173.7589 35 S 4.7555 8.2101 112.7501 55.7329 67.1394 174.3492 36 K 3.8865 8.8859 123.1773 59.8441 31.6160 179.2456 37 G 4.0343 8.2853 104.2028 48.2299 0.0000 174.6226 38 N 4.4694 8.0042 119.8819 55.9472 39.0446 176.2971 39 L 4.0192 7.8423 121.8463 58.9140 41.8734 178.8540 40 Y 4.9552 7.8716 115.8031 60.4079 37.7867 177.5119 41 Y 4.2981 7.8831 122.9730 61.6516 39.0114 177.9218 *42 H 3.8857 8.0453 118.0851 57.3072 28.8044 177.2693 43 F 5.1475 7.7179 120.8975 56.1484 42.4513 176.2986 44 K 4.0925 9.2483 127.6848 57.4288 31.7503 174.2260 45 T 5.1061 7.6260 108.3044 58.7715 73.3431 174.5336 46 K 4.0405 8.7517 121.0266 59.5297 32.2279 178.2452 47 E 4.1609 8.4058 117.5984 59.5407 29.4397 178.5397 48 N 4.2897 8.0712 118.1308 56.2318 39.0618 176.3088 49 L 3.3961 8.1543 122.0630 58.2737 41.9444 178.8053 50 F 3.9963 8.7798 120.5340 61.0584 39.1646 177.0927 51 L 3.5826 7.7456 118.6949 57.7431 41.4874 179.2888 52 E 3.9442 8.0555 118.3846 59.2171 29.2977 179.5974 53 I 3.5776 7.2453 119.5329 64.3824 37.1138 178.2751 54 L 3.8201 7.0385 119.5711 57.9634 41.2096 179.4512 55 N 4.3258 8.1516 116.2420 56.1499 38.3981 177.6583 56 I 3.7645 7.5117 120.7382 64.4652 37.2947 177.7841 57 E 4.1491 8.7759 122.0843 60.6946 29.4101 180.2020 58 E 3.9710 8.7349 118.1582 61.0788 29.6833 181.2470 59 S 4.2186 7.7703 113.0437 61.5484 62.4936 176.1765 60 K 3.6336 8.4897 121.4031 59.1542 31.7073 178.9704 61 W 4.4686 8.4164 130.9008 61.3316 30.6332 178.4726 62 Q 3.9450 8.0251 120.7642 60.3401 27.4024 180.4829 63 E 4.1362 8.1393 119.8568 59.1140 29.6536 178.9482 64 Q 3.9155 8.2197 120.7636 58.6349 29.0810 177.9135 65 W 4.3496 8.0492 131.5416 60.2022 30.4707 178.9604 66 K 3.6873 7.6546 123.3527 59.5609 30.9486 183.1025 67 S 4.3221 7.6767 115.9821 61.6471 62.8426 176.6646 68 E 3.9833 7.9388 121.4429 59.3263 29.2118 179.4719 69 Q 3.3425 7.2237 117.3693 58.6152 28.1299 178.4949 70 I 3.6051 6.8190 120.0342 64.1644 37.0795 178.0381 71 K 4.1448 7.8990 118.4948 57.4097 31.9658 177.0052 72 A 4.3948 7.1303 122.7791 50.7516 18.8881 176.6097 73 K 4.0332 8.0508 126.9064 58.5106 32.9365 178.1874 74 T 4.4202 7.5520 108.1847 60.7844 71.9826 175.3771 75 N 4.5120 9.1823 119.3858 56.1596 38.3350 177.7126 76 R 4.3539 8.2786 120.4651 59.8541 30.2376 178.3015 77 E 4.4014 8.2117 117.9581 58.8025 29.4081 179.4163 78 K 4.3286 8.0730 119.3051 59.2656 32.2364 178.8233 79 F 4.1045 8.5525 120.9977 61.6764 38.8243 176.5879 80 Y 4.2368 8.0671 116.2562 61.2250 37.6546 178.7759 81 L 4.1271 8.2218 120.7989 58.3435 42.0966 178.0175 82 Y 3.5020 8.5507 119.0338 60.6752 38.8776 177.6548 83 N 4.4038 8.0204 117.0856 56.4364 38.5491 176.9303 84 E 3.9948 8.1924 122.5081 59.9719 29.7639 179.4865 85 L 4.1328 8.2988 122.2374 59.1254 39.6573 181.4229 86 S 3.4791 7.5866 113.8640 61.6969 62.3447 176.4781 87 L 4.1336 7.2954 121.0198 57.0319 41.3985 178.0864 88 T 4.4339 7.0000 106.4335 61.6192 70.4822 174.7357 89 T 4.1045 7.7713 119.5121 62.6089 67.8382 174.7388 90 E 4.0463 8.5715 122.5846 57.6930 30.2211 176.3731 91 Y 4.9212 7.5731 114.6366 58.4638 39.5702 173.9254 92 Y 3.6999 9.2375 130.3930 58.5252 39.0715 171.0835 93 Y 3.7992 7.6590 116.1772 60.3792 38.1485 176.7074 94 P 4.3778 0.0000 0.0000 64.3666 31.7157 177.3051 95 L 4.3606 7.6722 117.6347 54.9190 41.6843 178.1130 96 Q 3.7087 7.3358 118.1184 58.7701 28.0090 178.3680 97 N 4.2531 7.9918 117.3261 56.8161 39.1322 176.7418 98 A 4.1011 7.9367 121.3854 54.8863 18.3961 179.6114 99 I 3.8430 7.8092 119.1240 64.5011 37.1158 178.6273 100 I 3.8327 7.5126 114.0810 63.9684 37.4009 177.7621 101 E 3.9562 7.8582 119.8721 59.4085 29.1510 179.3652 102 F 3.7351 8.0628 118.9690 61.1334 39.5541 176.3389 103 Y 4.2291 8.3079 119.6503 60.9102 38.5226 177.7652 104 T 3.6333 8.4725 108.9156 63.7783 69.0994 174.8461 105 E 4.1242 7.6694 122.2228 57.4126 30.0531 175.7059 106 Y 4.4650 7.1091 115.7757 55.2917 38.2809 174.6530 107 Y 4.7108 7.3693 119.5556 55.9956 39.0105 174.1346 *109 T 4.0651 7.8197 124.3534 65.0238 70.5048 175.1561 110 N 4.5973 8.6720 127.5712 56.6538 38.7128 175.5401 111 S 4.4503 7.9718 119.6982 63.5446 62.3584 179.2245 112 I 4.0572 7.7661 123.1628 64.2940 37.0577 177.7009 113 N 4.4132 8.0862 119.8853 57.6390 38.6969 177.2534 114 E 4.0745 8.8767 122.4014 61.9020 29.9235 182.3442 115 K 4.2328 7.9253 124.1421 59.7398 31.8349 181.0981 116 M 4.3342 8.9991 119.4562 58.5490 32.1168 178.2127 117 N 4.3394 8.8212 119.5768 56.9935 38.4768 177.8833 118 K 3.8898 8.2297 125.1439 60.5145 31.5480 180.2155 119 L 4.3752 8.0900 121.6801 58.1031 41.4393 179.8247 120 Q 4.2654 8.4740 122.8252 61.3004 28.0321 181.9608 121 N 4.6429 8.5813 122.7851 58.1969 36.1259 180.7622 122 K 4.1917 7.7568 126.1076 59.8688 31.5906 180.1134 123 Y 4.6662 7.9963 119.8602 60.6223 38.7065 178.1929 124 I 3.7891 7.5525 120.3615 64.0308 37.5452 177.5826 125 D 4.3764 8.2592 118.7037 57.6078 40.9776 178.4304 126 A 3.8052 7.4443 119.3647 55.9181 18.1830 179.3153 127 Y 3.6279 8.1566 114.7266 61.1233 38.0856 178.1384 128 H 4.2406 8.3058 118.8399 59.2390 29.9558 177.4042 129 V 3.6547 8.5168 120.2939 66.0556 31.5256 177.7653 130 I 3.7612 7.5838 119.5924 64.8787 36.8046 178.1786 131 F 4.8243 8.3683 118.6123 60.4161 38.9498 177.3061 132 K 4.1352 8.3125 118.7768 60.1067 31.8044 178.4908 133 E 4.1317 8.7859 118.2184 59.0277 29.7849 178.5547 134 G 3.3796 8.2148 105.8793 46.9805 0.0000 175.2835 135 N 4.4825 9.3497 121.2383 56.4731 39.0278 176.0500 136 L 4.3501 7.6727 114.3990 56.1815 40.8356 176.4678 137 N 4.4145 7.9963 117.5123 53.3937 39.0653 175.6021 138 G 3.8813 7.6620 104.7387 46.5615 0.0000 174.6307 139 E 3.8631 7.4937 119.1872 57.8560 29.6628 175.9259 140 W 4.5939 6.8881 115.7211 57.1417 30.4293 175.3904 141 S 4.8262 8.5325 115.0596 57.0966 62.1709 168.9414 142 I 4.0418 8.7167 122.1416 58.8434 35.8692 176.9099 143 N 4.4732 8.6609 123.9599 53.0720 38.2781 174.3613 144 D 4.6913 7.7955 120.5740 52.5994 42.4374 177.0660 145 V 3.6030 8.2928 128.3146 65.9883 31.9291 174.8119 146 N 4.6201 8.2265 117.4580 56.3992 38.7449 176.4566 147 A 3.9569 9.0393 122.6341 55.3854 18.5289 180.0681 148 V 3.5605 7.3888 109.0985 64.3143 31.5225 179.2268 149 S 4.3231 8.1279 115.2211 61.5039 62.7171 176.7910 150 K 3.9096 7.9382 120.8272 59.4025 31.7793 179.2897 151 I 3.6744 7.9466 120.0146 64.3960 37.0110 178.1420 152 A 3.4241 8.3473 121.3104 54.9322 18.1858 179.2469 153 A 3.6563 7.1839 118.9061 55.6482 18.5504 179.7806 154 N 4.5936 8.2448 114.3100 55.9364 38.6313 177.7887 155 A 3.8301 8.0705 122.6030 55.1567 18.6572 179.8199 156 V 3.3115 7.8124 117.0485 66.0372 31.5958 177.6378 157 N 4.6002 8.9672 117.3301 56.7918 38.6616 177.1013 158 G 3.8332 8.0169 106.9007 47.8859 0.0000 175.8333 159 I 3.7790 7.4328 121.1892 63.9671 37.1329 178.4205 160 V 3.6051 7.4660 118.2547 65.8751 31.5607 177.5792 161 T 4.2564 7.6643 106.3452 62.0694 69.1131 175.1036 162 F 5.0194 7.5459 120.1174 57.7348 39.8901 175.8098 163 T 4.9616 7.5848 112.9029 62.4695 70.6671 174.4762 164 H 4.8011 8.1077 120.4882 54.5557 26.3719 172.7339 165 E 4.8406 7.8156 123.0526 57.1480 36.0854 177.4664 166 Q 4.1871 7.4933 116.8957 54.5403 29.5807 175.9852 167 N 4.4730 8.4775 117.3823 52.7502 38.2952 175.6476 168 I 3.6301 8.6073 120.2604 64.8488 37.8741 178.0040 169 N 4.4056 8.0164 116.4074 56.1624 38.1680 177.0664 170 E 4.0115 8.4899 121.0012 59.1740 29.7163 179.0883 171 R 3.9551 7.9191 117.8621 59.1720 30.1894 178.7562 172 I 3.7519 7.8775 119.7301 64.1544 37.0370 178.3860 173 K 3.9785 7.9440 120.0907 59.4119 32.0863 178.8049 174 L 4.0058 7.6806 119.3645 58.0814 41.5643 179.1480 175 M 4.1410 8.1124 117.9305 58.9388 32.2043 177.9535 176 N 4.6847 8.4933 116.6379 56.3909 38.7046 177.3533 177 K 4.1305 8.3315 121.1294 59.2741 32.2626 178.6523 178 F 4.2337 8.5202 121.1069 61.4296 39.3402 176.9365 179 S 4.1241 8.6822 115.2230 61.9466 62.6887 176.8522 180 Q 4.0929 8.0574 122.9960 58.6690 28.6143 178.3272 181 I 3.6177 7.3839 119.4535 64.3601 37.3882 177.7220 182 F 3.8793 8.2132 121.5705 61.2855 38.9246 177.0582 183 L 3.6753 7.9698 118.6625 57.7759 41.2592 178.6967 184 N 4.8081 7.8894 113.1655 53.8300 38.9844 176.1740 185 G 4.0484 7.3724 108.1030 43.3723 0.0000 173.2695 186 L 4.7215 6.6801 116.7306 53.1682 46.1898 177.3806 187 S 4.1946 8.2767 115.1356 59.2976 63.7696 174.5687 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 N 8.28 4.77 0.00 2.91 3.09 0.00 0.00 6.14 5.79 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 3 L 7.56 3.93 0.00 1.80 1.88 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.79 4.03 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.63 1.38 7.81 5 D 8.12 4.43 0.00 2.77 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 6 K 8.20 4.02 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 7 I 7.96 3.74 2.25 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 1.89 1.05 1.04 0.00 0.00 8 L 8.39 4.04 0.00 1.95 1.75 1.02 0.97 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 9 G 8.50 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 10 V 8.24 3.58 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 0.93 0.00 0.00 1.02 0.00 0.00 11 A 8.17 3.67 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 12 K 8.12 4.00 0.00 1.99 2.05 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.55 7.81 13 E 7.86 3.96 0.00 1.95 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 0.00 2.54 2.47 0.00 14 L 7.66 3.94 0.00 1.60 1.40 0.75 0.87 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 15 F 8.13 4.57 0.00 3.40 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 16 I 7.48 3.80 1.99 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 1.39 0.62 0.93 0.00 0.00 17 K 7.95 4.09 0.00 1.74 1.79 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 18 N 8.30 4.78 0.00 2.77 2.79 0.00 0.00 7.11 7.21 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 19 G 8.11 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 20 Y 8.58 4.19 0.00 2.91 2.92 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 21 N 8.64 4.28 0.00 2.81 2.92 0.00 0.00 6.86 7.35 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 22 A 7.84 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 23 T 7.35 3.95 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 0.37 0.00 0.00 24 T 7.89 4.37 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 1.21 0.00 0.00 25 T 8.37 3.90 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 1.30 0.00 0.00 26 G 7.95 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.69 3.84 0.00 2.02 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 2.21 2.30 0.00 28 I 7.46 3.53 1.93 0.00 0.00 0.62 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 0.69 0.83 0.00 0.00 29 V 7.68 3.66 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 0.98 0.00 0.00 0.96 0.00 0.00 30 K 8.29 4.01 0.00 1.84 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 31 L 8.24 4.36 0.00 1.50 1.72 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.52 4.53 0.00 3.94 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 33 E 8.01 3.74 0.00 2.09 1.92 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 2.22 2.26 0.00 34 S 7.70 4.54 0.00 3.83 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 35 S 8.21 4.76 0.00 4.04 3.89 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 36 K 8.89 3.89 0.00 1.95 2.24 0.00 1.81 0.00 0.00 2.05 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.58 7.81 37 G 8.29 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 38 N 8.00 4.47 0.00 2.75 2.97 0.00 0.00 6.92 7.01 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 39 L 7.84 4.02 0.00 1.70 1.61 0.75 0.73 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 40 Y 7.87 4.96 0.00 3.11 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 41 Y 7.88 4.30 0.00 2.91 3.12 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 *42 H 8.05 3.89 0.00 3.05 2.96 0.00 7.20 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.72 5.15 0.00 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7.81 119 L 8.09 4.38 0.00 1.92 1.72 0.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.47 4.27 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 121 N 8.58 4.64 0.00 2.72 2.86 0.00 0.00 7.09 7.11 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 0.00 122 K 7.76 4.19 0.00 1.76 1.85 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.32 7.81 123 Y 8.00 4.67 0.00 2.53 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 0.00 124 I 7.55 3.79 1.98 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 1.19 0.33 0.95 0.00 0.00 125 D 8.26 4.38 0.00 2.81 2.82 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 0.00 0.00 0.00 0.00 126 A 7.44 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.16 3.63 0.00 3.02 3.01 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 0.00 0.00 0.00 0.00 128 H 8.31 4.24 0.00 3.29 3.49 0.00 5.67 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 0.00 129 V 8.52 3.65 2.29 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 0.92 0.00 0.00 1.13 0.00 0.00 130 I 7.58 3.76 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.92 0.92 0.00 0.00 131 F 8.37 4.82 0.00 3.12 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 0.00 132 K 8.31 4.14 0.00 1.97 2.03 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.56 7.81 133 E 8.79 4.13 0.00 2.09 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 0.00 2.34 2.37 0.00 134 G 8.21 3.38 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 0.00 135 N 9.35 4.48 0.00 3.16 2.95 0.00 0.00 6.89 6.54 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 0.00 136 L 7.67 4.35 0.00 1.81 1.77 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.00 4.41 0.00 2.79 2.74 0.00 0.00 7.16 7.52 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 0.00 138 G 7.66 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 0.00 139 E 7.49 3.86 0.00 1.16 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 2.03 1.87 0.00 140 W 6.89 4.59 0.00 3.22 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 0.00 141 S 8.53 4.83 0.00 3.58 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 0.00 142 I 8.72 4.04 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 1.35 1.11 0.91 0.00 0.00 143 N 8.66 4.47 0.00 2.80 2.95 0.00 0.00 6.00 8.06 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 0.00 144 D 7.80 4.69 0.00 2.61 2.49 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 0.00 145 V 8.29 3.60 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 0.76 0.00 0.00 0.93 0.00 0.00 146 N 8.23 4.62 0.00 2.90 2.97 0.00 0.00 7.05 8.75 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 0.00 147 A 9.04 3.96 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 0.00 148 V 7.39 3.56 1.75 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 0.62 0.00 0.00 0.13 0.00 0.00 149 S 8.13 4.32 0.00 4.16 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 0.00 150 K 7.94 3.91 0.00 2.00 1.85 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.63 7.81 151 I 7.95 3.67 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.90 1.16 0.00 0.00 152 A 8.35 3.42 0.94 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 0.00 153 A 7.18 3.66 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 0.00 0.00 0.00 0.00 0.00 154 N 8.24 4.59 0.00 2.89 2.91 0.00 0.00 7.01 7.49 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 0.00 155 A 8.07 3.83 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 0.00 156 V 7.81 3.31 2.33 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 1.01 0.00 0.00 1.01 0.00 0.00 157 N 8.97 4.60 0.00 3.13 2.90 0.00 0.00 7.11 7.77 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 0.00 158 G 8.02 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 0.00 159 I 7.43 3.78 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.48 0.85 0.00 0.00 160 V 7.47 3.61 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 0.79 0.00 0.00 0.74 0.00 0.00 161 T 7.66 4.26 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 1.15 0.00 0.00 162 F 7.55 5.02 0.00 3.11 2.98 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 0.00 163 T 7.58 4.96 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 1.31 0.00 0.00 164 H 8.11 4.80 0.00 3.12 3.23 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 7.82 4.84 0.00 2.10 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 2.37 2.28 0.00 166 Q 7.49 4.19 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 167 N 8.48 4.47 0.00 2.95 2.96 0.00 0.00 5.59 7.84 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 0.00 168 I 8.61 3.63 1.87 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 1.64 1.19 0.91 0.00 0.00 169 N 8.02 4.41 0.00 3.05 2.86 0.00 0.00 6.69 7.32 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 0.00 170 E 8.49 4.01 0.00 2.09 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 0.00 2.32 2.50 0.00 171 R 7.92 3.96 0.00 2.00 1.92 0.00 3.15 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 172 I 7.88 3.75 2.03 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 1.69 0.87 0.95 0.00 0.00 173 K 7.94 3.98 0.00 1.84 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 174 L 7.68 4.01 0.00 1.88 1.74 0.94 0.82 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 0.00 175 M 8.11 4.14 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 176 N 8.49 4.68 0.00 3.08 3.02 0.00 0.00 6.72 6.52 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 0.00 177 K 8.33 4.13 0.00 2.07 2.09 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.59 7.81 178 F 8.52 4.23 0.00 3.23 3.32 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 0.00 179 S 8.68 4.12 0.00 4.01 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 0.00 180 Q 8.06 4.09 0.00 2.55 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 181 I 7.38 3.62 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.00 0.93 0.00 0.00 182 F 8.21 3.88 0.00 2.00 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 0.00 183 L 7.97 3.68 0.00 1.75 1.67 0.02 0.74 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 0.00 184 N 7.89 4.81 0.00 2.82 2.83 0.00 0.00 6.93 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 0.00 185 G 7.37 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 0.00 186 L 6.68 4.72 0.00 1.55 1.29 0.30 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 187 S 8.28 4.19 0.00 3.78 3.68 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 * Residues marked with a * may have inaccurate shift predictions.