NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 42 V 3.9702 8.0544 117.9003 60.4376 33.2363 174.7289 43 K 4.3060 8.1896 124.0970 51.4439 33.3687 172.7615 44 P 4.3605 0.0000 0.0000 63.2274 32.8675 174.4903 45 R 5.1658 8.6689 122.8447 54.7537 32.6690 174.3859 46 I 5.0140 9.1116 126.7840 59.5953 40.4074 174.3186 47 L 5.3040 9.0095 127.6108 53.2770 44.0755 175.4359 48 L 4.8832 9.4288 123.3034 53.0058 44.7263 176.2652 *50 G 2.9768 8.4040 109.1697 45.3393 0.0000 171.9264 51 L 4.6086 7.9678 118.8187 53.9306 42.3352 177.3102 52 R 3.9967 8.4218 121.7517 58.5838 30.3055 178.1877 53 R 4.0326 8.8274 117.5544 56.6700 27.1960 178.0226 54 S 4.0932 7.7594 112.3920 60.7474 63.3711 175.2971 55 G 4.2308 7.9165 110.5590 45.6258 0.0000 175.5980 56 K 3.8924 8.3946 119.9973 59.7188 31.9618 179.2263 57 S 4.3754 7.9451 115.8639 61.0960 62.7996 176.7858 58 S 4.1373 8.0898 117.3852 61.7013 62.6405 176.6019 59 I 3.6621 7.8255 122.3088 64.3403 36.7846 178.1932 60 Q 4.1229 8.1997 120.1760 59.2617 28.9236 178.4165 61 K 3.9538 8.3576 119.7478 59.4576 32.2409 179.4665 62 V 3.5440 8.1379 118.6796 66.1686 31.2848 178.3149 63 V 2.8704 7.4116 116.4333 64.9456 31.2937 177.0242 64 F 4.7284 8.2436 115.1061 57.4838 40.2012 176.0547 65 H 4.6762 8.2099 113.4350 53.9899 29.4816 173.3086 66 K 4.1964 8.3290 115.7366 56.0492 30.2983 174.3337 *68 S 4.3160 8.1839 116.9345 57.0819 64.2152 173.0929 69 P 4.1074 0.0000 0.0000 66.2117 30.3353 178.5362 70 N 4.5840 8.1889 115.5092 55.9095 38.4897 176.8100 71 E 4.5087 8.2768 120.1775 58.8945 29.6608 178.7694 72 T 4.0770 7.7330 109.5086 63.8732 68.5210 176.0410 73 L 4.1001 7.5516 120.2857 56.8441 41.6717 178.0943 74 F 4.4811 8.0707 116.3163 57.1608 39.6535 176.2176 75 L 4.2084 7.1680 118.7062 54.8390 41.9804 176.0204 76 E 4.7529 8.2399 119.8754 53.9780 32.4901 176.1215 77 S 4.1991 8.4576 115.9625 59.3923 63.2867 174.6424 78 T 4.2559 8.4347 121.5892 63.1664 68.9619 174.2768 79 N 4.7576 8.7657 123.2168 53.3847 38.8152 174.8703 80 K 4.8234 7.5275 115.4799 53.8738 36.3441 176.3433 81 I 3.7783 8.3300 122.7943 61.6811 37.9212 175.1501 82 C 4.4512 8.8778 127.3794 57.6041 33.5570 172.2408 83 R 4.5777 8.0918 127.2026 54.8297 31.1343 175.1377 84 E 4.5630 8.9778 125.5307 54.7231 32.7300 174.8351 85 D 5.0624 8.6664 124.5181 53.5616 43.4010 176.0255 86 V 4.2298 9.3248 122.9936 61.7750 32.9371 174.6962 87 S 4.9834 8.6402 123.3149 56.4436 65.6242 173.9732 88 N 4.0713 8.2696 116.5623 54.4034 35.6013 174.1133 89 S 4.7126 9.3614 113.0527 57.1797 64.1189 173.4997 90 S 4.6711 8.7024 120.8777 58.4829 62.3289 173.9615 91 F 4.9926 8.0091 124.0349 58.7852 41.9494 175.0940 92 V 4.2178 7.4358 114.2748 59.7890 35.4327 174.2816 93 N 5.0356 8.4139 122.3165 52.3768 39.4222 174.5515 94 F 5.1513 9.1044 120.1407 56.3604 44.5323 173.1160 95 Q 5.1290 9.3084 120.4376 53.8982 30.9928 174.7717 96 I 5.0066 8.7325 124.7586 59.5472 39.9286 174.6136 97 W 4.9872 9.5542 128.8295 55.2155 30.6541 175.0827 98 D 5.1790 9.1150 126.8145 52.9698 41.6785 175.4191 99 F 4.7502 8.9640 125.6840 55.7739 40.3621 174.4647 100 P 4.5623 0.0000 0.0000 62.2011 32.3433 176.1943 101 G 3.8762 8.7732 108.1515 46.9806 0.0000 173.1444 102 Q 4.3512 8.6337 123.6190 56.1182 29.0431 176.0179 103 I 4.7063 8.3088 125.9999 59.2904 41.4633 176.5448 104 D 4.7028 8.5486 126.0097 54.0359 37.9111 178.0968 *105 F 4.8167 7.4998 118.9484 54.4688 41.0123 176.8557 106 F 4.3308 8.9627 129.1277 57.5160 39.3676 175.0069 107 D 4.4049 7.5231 126.0204 53.2967 42.0070 173.1165 108 P 4.5709 0.0000 0.0000 62.9362 31.5116 177.6599 109 T 4.2970 7.9384 112.4354 63.3127 67.9740 174.6049 110 F 4.1131 8.5139 118.0045 58.3222 39.8612 174.7329 111 D 4.4001 8.2186 119.2527 55.2027 39.0122 173.2446 112 Y 3.5319 7.8116 119.1736 60.7426 38.7995 179.2968 113 E 4.2793 7.6779 115.9426 56.7399 29.3456 178.6213 *115 I 3.7886 7.9196 118.0917 60.8212 39.0978 178.0861 116 F 4.5685 7.9667 118.4906 60.0091 38.9982 177.7099 117 R 3.8354 8.2491 120.2056 58.9254 29.8288 177.1867 118 G 3.9885 7.7274 103.4517 45.3527 0.0000 173.0894 119 T 4.2550 7.9692 118.0289 62.5403 69.8290 175.5611 120 G 3.9650 9.0908 113.2619 47.6246 0.0000 173.5474 121 A 5.1114 7.6923 120.9336 49.6064 23.2639 174.7995 122 L 4.8251 8.7441 123.0863 53.3903 44.8143 175.2214 123 I 4.5233 8.7339 128.6242 59.8290 38.4292 175.1497 124 F 4.5164 9.1379 130.8308 56.4465 41.0521 174.3461 125 V 4.6461 7.8255 126.5505 61.8244 32.8033 174.9220 126 I 4.6487 9.0690 128.3389 59.3860 40.6358 174.2027 127 D 4.9613 8.9022 127.1083 53.7882 41.3920 176.7297 128 S 4.5424 9.0054 121.4377 59.9829 63.3007 174.9050 129 Q 4.6640 8.5001 119.9501 55.5461 28.7825 174.3635 130 D 4.7830 7.7411 116.2030 52.1587 44.6479 174.3730 131 D 4.2063 8.5886 122.2277 54.5116 41.8012 175.8961 132 Y 4.6487 7.2448 123.6306 54.8087 38.1321 174.9752 *134 E 4.2900 8.3333 128.5346 56.7457 32.0595 177.6810 135 A 4.2294 8.1242 120.0316 55.3502 18.4774 179.4398 136 L 3.9125 8.6473 117.6703 57.8448 41.7528 179.6553 137 A 3.9902 7.8676 120.2941 55.2523 18.3457 179.6831 138 R 3.9927 8.3211 116.4698 58.6947 30.0927 178.9619 139 L 2.4649 7.6762 120.7036 57.6677 41.9232 178.4318 140 H 3.8622 7.9307 118.1339 59.2932 29.8365 177.3308 141 L 3.8985 7.6262 120.2400 57.8143 41.3259 179.7270 142 T 3.7360 7.9274 115.9825 66.5805 68.3689 176.9196 143 V 2.9953 7.5824 120.6254 66.0024 31.5626 178.1922 144 T 3.7382 7.4998 109.5157 64.6478 68.1441 176.9416 145 R 3.8639 7.8649 120.7104 58.8762 30.0188 178.8946 146 A 2.6756 7.6637 120.5916 54.9376 18.0418 178.9318 147 Y 4.2192 8.0258 117.1752 60.9797 38.8298 178.3126 148 K 4.0280 7.8472 118.2054 58.9526 32.1403 178.7281 149 V 4.2203 7.0110 117.0539 63.4074 31.7121 175.4067 150 N 4.6656 8.2163 118.3632 52.1090 40.4630 174.4313 151 T 3.7184 8.1988 115.7321 62.8078 69.3292 175.0348 152 D 4.5850 8.2425 121.5413 54.9604 41.3167 176.6508 153 I 3.7578 6.9693 120.5322 61.3402 37.7356 175.4055 154 N 4.4635 8.6185 124.7929 52.4914 39.9757 174.1592 155 F 5.0406 8.5219 123.3570 56.2429 40.8543 174.5864 156 E 5.1827 9.0808 123.9979 54.4197 32.7067 175.2775 157 V 4.8350 8.9032 124.7467 61.3314 33.9987 174.5129 158 F 5.1675 9.3133 128.6093 56.6788 40.2336 175.7146 159 I 4.5969 9.1586 127.5540 60.7373 37.1102 175.2297 160 H 5.1440 9.2819 127.7033 54.2468 32.3313 174.5936 161 K 4.0865 8.0601 116.7961 57.2866 29.2759 178.4326 162 V 3.8766 7.7438 113.5974 63.2577 31.7331 178.1993 163 D 4.4712 8.3344 119.8830 55.6520 39.1037 177.5226 164 G 4.3301 7.6518 108.0310 45.1888 0.0000 173.3155 165 L 4.8654 7.7091 118.5171 51.9266 45.3879 177.0591 166 S 4.3085 8.4562 116.3122 58.4272 63.4760 176.1059 167 D 4.7697 8.7006 124.4036 54.9849 40.1780 177.6537 168 D 4.6845 9.7576 120.5688 54.8445 44.9849 180.7607 *169 H 4.3055 7.9199 118.5442 59.1568 27.6005 179.8569 170 K 4.1751 8.0283 118.5920 60.0468 31.9706 179.0013 171 I 3.6462 7.6771 119.5264 64.5321 36.9691 177.9685 172 E 3.9068 8.2628 119.8511 59.5302 29.4095 178.9514 173 T 3.9193 8.0550 115.8284 66.7302 68.4673 176.4829 174 Q 3.8170 8.2987 121.7305 59.0704 29.0761 178.1832 175 R 3.7451 8.1901 120.0924 59.2353 30.0766 178.0909 176 D 4.2759 8.3677 118.1880 57.4195 41.3270 178.2951 177 I 3.5542 7.8333 120.6781 64.4440 37.1214 177.7677 178 H 2.9420 7.9389 119.3721 58.9263 29.5479 176.8721 179 Q 3.8219 7.9337 120.9979 59.3074 28.8661 178.4059 180 R 3.8623 8.0633 118.6450 59.1227 30.1638 178.8426 181 A 3.9622 7.9998 120.3932 55.5483 18.4725 179.5999 182 N 4.3329 8.0394 114.5176 56.2707 38.4535 177.5579 183 D 4.3302 8.1213 120.7327 57.2797 40.8969 178.4161 184 D 4.2351 8.3891 119.8420 57.2774 40.8131 178.7272 185 L 4.0419 7.8623 119.2483 57.7164 41.5957 179.5607 186 A 4.1672 7.8309 121.9158 54.7623 18.2057 179.3258 187 D 4.5683 8.1463 115.5925 56.3470 40.9275 177.7249 188 A 4.6292 7.2611 117.9707 50.8255 19.7091 176.8518 189 G 4.0027 8.4176 105.5135 46.0411 0.0000 174.2561 190 L 4.7203 8.0938 119.0344 53.6194 42.5895 178.9349 191 E 3.9911 8.2178 118.9733 58.8623 29.8299 178.9997 192 K 4.0460 7.8634 117.8922 59.1808 32.8692 177.3893 193 I 3.4648 7.1230 121.3055 61.4059 37.1555 174.6904 194 H 4.7916 8.7464 125.3339 54.7256 30.9828 173.7452 195 L 4.7560 8.1395 125.6781 53.0401 44.0848 175.9384 196 S 4.6777 8.5684 119.8764 57.0058 65.2461 173.2555 197 F 5.2924 8.3665 120.5658 56.0546 42.1812 174.2236 198 Y 4.8121 9.0909 118.2934 56.4027 42.6432 174.0955 199 L 5.1879 8.6396 122.7682 53.6500 42.7030 175.9553 200 T 4.8028 9.1290 114.0726 60.2640 73.0857 172.8117 201 S 4.7438 8.5363 115.6276 57.3369 65.9114 175.0983 202 I 4.0076 8.6147 119.1979 62.6592 37.9076 175.8234 203 Y 4.4767 7.8119 118.7064 57.8691 38.0335 174.0443 204 D 4.6609 7.6214 118.9104 51.5912 42.5455 175.5823 205 H 4.5921 8.8515 117.7490 58.7177 29.5614 176.6523 206 S 4.4006 8.9046 118.1769 61.2607 62.5447 176.4448 207 I 3.6310 7.5410 120.7885 63.7019 37.6052 177.9745 208 F 4.0872 8.2673 118.3823 60.3879 38.3615 177.3104 209 E 3.9102 8.6535 118.5198 59.2916 29.3598 179.3964 210 A 3.7502 7.9231 120.6465 55.1354 18.4339 179.5047 211 F 3.7513 8.2197 119.1613 61.2021 39.2635 177.2630 212 S 4.2078 8.4538 113.1817 61.4763 61.9238 176.4147 213 K 4.0749 7.9839 120.5959 59.1510 31.4833 179.7184 214 V 3.5498 7.2758 117.8307 65.9654 31.6839 177.9741 215 V 3.4054 7.8698 118.0093 65.9126 31.3678 177.6987 216 Q 4.1762 8.5055 118.0656 59.2537 28.4836 179.1035 217 K 4.2817 7.7473 116.4397 57.9406 32.1440 177.5593 218 L 4.5082 7.8892 118.3920 54.3676 42.1660 176.1526 219 I 4.2532 7.4235 121.1765 58.5571 37.5763 173.9687 220 P 4.4102 0.0000 0.0000 62.9624 31.0615 176.2834 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 42 V 8.05 3.97 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 0.91 0.00 0.00 0.93 0.00 0.00 43 K 8.19 4.31 0.00 1.75 1.73 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.53 7.81 44 P 0.00 4.36 0.00 2.43 2.17 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 45 R 8.67 5.17 0.00 1.85 1.87 0.00 2.59 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.17 0.00 46 I 9.11 5.01 1.99 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.86 0.00 0.00 47 L 9.01 5.30 0.00 1.57 1.63 0.98 0.14 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 48 L 9.43 4.88 0.00 1.79 1.60 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *50 G 8.40 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 0.00 0.00 0.00 51 L 7.97 4.61 0.00 1.75 1.64 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.42 4.00 0.00 1.82 1.90 0.00 3.35 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 53 R 8.83 4.03 0.00 1.91 2.02 0.00 3.25 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.17 0.00 54 S 7.76 4.09 0.00 4.03 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 55 G 7.92 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 0.00 0.00 0.00 0.00 56 K 8.39 3.89 0.00 1.83 2.04 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.50 7.81 57 S 7.95 4.38 0.00 3.88 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 58 S 8.09 4.14 0.00 4.07 3.93 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 59 I 7.83 3.66 2.14 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 1.14 0.00 0.00 60 Q 8.20 4.12 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 61 K 8.36 3.95 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.59 7.81 62 V 8.14 3.54 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 0.90 0.00 0.00 0.93 0.00 0.00 63 V 7.41 2.87 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 -0.76 0.00 0.00 0.13 0.00 0.00 64 F 8.24 4.73 0.00 3.11 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 65 H 8.21 4.68 0.00 3.27 3.33 0.00 6.00 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.33 4.20 0.00 1.86 1.81 0.00 2.11 0.00 0.00 2.45 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.33 7.81 *68 S 8.18 4.32 0.00 4.06 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 0.00 69 P 0.00 4.11 0.00 1.21 2.06 0.00 3.70 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 2.06 1.96 0.00 70 N 8.19 4.58 0.00 2.94 3.05 0.00 0.00 7.18 7.66 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 71 E 8.28 4.51 0.00 2.29 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 0.00 2.34 2.37 0.00 72 T 7.73 4.08 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 1.23 0.00 0.00 73 L 7.55 4.10 0.00 1.33 1.48 0.86 0.80 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 74 F 8.07 4.48 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 75 L 7.17 4.21 0.00 1.79 1.64 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.24 4.75 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 77 S 8.46 4.20 0.00 3.88 3.84 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 78 T 8.43 4.26 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 1.23 0.00 0.00 79 N 8.77 4.76 0.00 2.81 2.95 0.00 0.00 6.01 7.13 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 80 K 7.53 4.82 0.00 1.54 1.62 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.32 7.81 81 I 8.33 3.78 1.56 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 0.40 0.46 0.32 0.00 0.00 82 C 8.88 4.45 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 83 R 8.09 4.58 0.00 0.67 1.26 0.00 2.80 0.00 0.00 2.87 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 84 E 8.98 4.56 0.00 1.75 1.74 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 2.11 2.44 0.00 85 D 8.67 5.06 0.00 2.59 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 86 V 9.32 4.23 2.51 0.00 0.00 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 1.09 0.00 0.00 87 S 8.64 4.98 0.00 3.78 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 88 N 8.27 4.07 0.00 2.82 2.83 0.00 0.00 6.83 7.57 0.00 0.00 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 S 9.36 4.71 0.00 3.91 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 90 S 8.70 4.67 0.00 4.09 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.01 4.99 0.00 2.91 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 92 V 7.44 4.22 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 0.73 0.00 0.00 0.93 0.00 0.00 93 N 8.41 5.04 0.00 2.42 2.85 0.00 0.00 6.82 7.45 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 94 F 9.10 5.15 0.00 3.10 3.06 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 0.00 0.00 0.00 95 Q 9.31 5.13 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.67 2.28 0.00 96 I 8.73 5.01 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.64 0.91 0.00 0.00 97 W 9.55 4.99 0.00 3.33 3.08 0.00 0.00 0.00 0.00 0.00 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0.00 *115 I 7.92 3.79 1.40 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 0.48 0.00 0.00 116 F 7.97 4.57 0.00 3.08 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 0.00 117 R 8.25 3.84 0.00 2.06 1.97 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 118 G 7.73 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.97 4.26 4.40 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 0.00 0.00 0.00 1.20 0.00 0.00 120 G 9.09 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 0.00 121 A 7.69 5.11 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.74 4.83 0.00 1.60 1.52 1.04 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.73 4.52 1.60 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.31 -0.40 0.00 0.00 124 F 9.14 4.52 0.00 3.09 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 0.00 125 V 7.83 4.65 1.96 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 0.91 0.00 0.00 0.81 0.00 0.00 126 I 9.07 4.65 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 1.03 0.00 0.00 127 D 8.90 4.96 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 0.00 128 S 9.01 4.54 0.00 4.12 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 0.00 129 Q 8.50 4.66 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 130 D 7.74 4.78 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.59 4.21 0.00 2.59 2.52 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 1.33 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.46 4.31 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.70 4.77 0.00 2.69 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 0.00 168 D 9.76 4.68 0.00 2.35 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *169 H 7.92 4.31 0.00 2.96 3.12 0.00 7.17 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 0.00 170 K 8.03 4.18 0.00 1.80 1.89 0.00 1.66 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.80 7.81 171 I 7.68 3.65 2.03 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 1.51 0.68 0.89 0.00 0.00 172 E 8.26 3.91 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 2.42 0.00 173 T 8.06 3.92 4.39 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 1.20 0.00 0.00 174 Q 8.30 3.82 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 175 R 8.19 3.75 0.00 1.98 2.02 0.00 3.12 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 176 D 8.37 4.28 0.00 2.96 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 0.00 177 I 7.83 3.55 1.64 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.05 0.97 0.00 0.00 178 H 7.94 2.94 0.00 2.40 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 Q 7.93 3.82 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.61 0.00 180 R 8.06 3.86 0.00 1.91 1.97 0.00 3.31 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 181 A 8.00 3.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 N 8.04 4.33 0.00 2.77 2.81 0.00 0.00 7.12 8.02 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 0.00 183 D 8.12 4.33 0.00 2.86 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 0.00 184 D 8.39 4.24 0.00 2.74 2.39 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 0.00 185 L 7.86 4.04 0.00 1.82 1.78 0.74 0.56 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 0.00 186 A 7.83 4.17 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 0.00 187 D 8.15 4.57 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.26 4.63 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 8.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 L 8.09 4.72 0.00 1.58 1.36 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.22 3.99 0.00 2.07 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 2.32 2.22 0.00 192 K 7.86 4.05 0.00 1.89 1.98 0.00 1.48 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.44 7.81 193 I 7.12 3.46 1.60 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 0.48 0.00 0.00 194 H 8.75 4.79 0.00 3.08 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 8.14 4.76 0.00 1.33 0.92 0.85 0.59 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 0.00 196 S 8.57 4.68 0.00 3.98 3.52 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 0.00 197 F 8.37 5.29 0.00 2.78 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 Y 9.09 4.81 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 L 8.64 5.19 0.00 1.54 1.63 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 200 T 9.13 4.80 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 0.67 0.00 0.00 201 S 8.54 4.74 0.00 3.98 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 0.00 202 I 8.61 4.01 1.69 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.11 0.95 0.00 0.00 203 Y 7.81 4.48 0.00 3.07 3.06 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 0.00 0.00 0.00 204 D 7.62 4.66 0.00 3.04 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 0.00 205 H 8.85 4.59 0.00 3.20 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 S 8.90 4.40 0.00 4.18 4.14 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 0.00 207 I 7.54 3.63 1.94 0.00 0.00 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 1.45 1.08 0.70 0.00 0.00 208 F 8.27 4.09 0.00 3.38 3.11 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 0.00 0.00 0.00 0.00 209 E 8.65 3.91 0.00 2.06 1.97 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 1.97 2.22 0.00 210 A 7.92 3.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 F 8.22 3.75 0.00 3.34 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 0.00 212 S 8.45 4.21 0.00 4.07 4.11 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 0.00 0.00 0.00 0.00 213 K 7.98 4.07 0.00 2.12 2.03 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.74 7.81 214 V 7.28 3.55 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.67 0.00 0.00 215 V 7.87 3.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.01 0.00 0.00 216 Q 8.51 4.18 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.76 2.86 0.00 217 K 7.75 4.28 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.88 7.81 218 L 7.89 4.51 0.00 2.03 2.08 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 219 I 7.42 4.25 1.83 0.00 0.00 -0.56 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 0.65 0.74 0.00 0.00 220 P 0.00 4.41 0.00 2.16 2.02 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.