NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7389 8.4249 118.2181 52.2788 38.9443 174.0512 3 S 4.0855 8.6341 114.0870 61.6406 62.9605 176.4278 4 R 4.0313 8.8401 117.2281 57.1743 30.8262 178.0856 *6 K 4.2847 8.1725 119.5026 56.6953 34.1540 178.3419 7 I 3.7934 8.1943 119.8286 64.2499 36.9684 178.2667 8 K 3.9771 8.1766 120.4460 59.6553 31.9110 178.9517 9 K 4.1467 8.1883 117.9588 59.4811 31.8563 179.0563 10 A 4.2304 8.2854 120.2715 55.2707 18.3720 178.7555 11 Y 4.2400 8.1222 117.6066 60.7930 39.1907 177.5700 12 E 3.8988 8.3569 120.2329 59.2407 29.7007 178.7139 13 Y 3.6373 7.9331 116.5429 58.5012 38.7251 177.6930 *15 K 4.0815 8.0116 119.7278 55.9760 34.5439 178.1968 16 S 3.9357 7.8594 113.3539 61.0518 62.5329 175.8838 17 F 3.7145 7.8935 121.6213 60.9363 39.2856 175.2604 18 H 4.7403 7.6191 115.2213 55.3338 28.6497 176.7341 19 Q 3.9189 7.4585 119.9479 59.1993 28.2744 176.9332 20 H 4.5869 7.7949 114.0416 55.5827 28.7859 174.5919 21 D 4.6238 7.8905 121.8894 52.9988 40.0147 177.2921 22 T 4.5015 8.1975 119.2111 61.9072 68.4488 175.7070 23 T 4.4004 7.8658 112.3852 60.9756 70.5696 175.3418 24 G 3.9229 8.3773 108.7637 46.3408 0.0000 174.6697 25 H 4.0764 8.2089 119.7924 59.5527 29.7726 176.4546 26 D 4.2308 7.9194 120.3900 57.5560 40.6117 179.1513 27 I 3.6409 7.6137 119.1837 64.2761 37.1664 178.0869 28 A 4.2326 8.1574 123.2269 54.7794 18.1694 178.9870 29 H 3.9958 8.4860 117.0164 59.4954 29.9392 177.4495 30 V 3.6113 7.7607 119.8002 66.2158 30.8730 177.7064 31 E 4.1153 8.4552 118.3262 59.5977 29.2338 179.7036 32 R 3.9809 8.2414 118.1184 59.1517 30.0554 179.2143 33 V 3.5413 7.8797 118.1011 66.0731 31.5297 177.3697 34 Y 4.0193 8.5149 119.5611 60.9904 38.7268 177.9258 35 N 4.3113 8.8069 117.7380 56.2259 38.4863 177.2805 36 N 4.2771 8.5875 118.1983 56.2504 38.6377 177.2635 37 A 3.9535 8.1671 122.4038 55.4508 18.5368 179.5316 38 C 3.9934 7.9356 115.2007 62.7911 28.2145 175.7538 39 Y 3.9346 7.9417 121.1539 60.7408 38.3805 178.0834 40 I 3.7228 8.2110 120.8064 64.1914 37.2789 178.0393 41 A 3.9244 8.2843 122.0190 55.2151 18.2412 179.4537 42 K 3.7336 7.7082 117.2714 59.7983 32.0111 178.9416 43 R 3.8052 7.4412 117.2494 58.9423 29.9829 177.2951 44 E 4.2853 8.1383 116.2934 54.9393 30.8484 176.1757 45 N 4.0577 7.6738 115.6183 54.3680 36.2341 174.8696 46 I 4.2541 7.6002 117.3173 59.4107 37.8227 176.2070 47 T 3.6218 7.9220 116.8807 64.4574 68.8919 173.1576 48 D 4.5708 7.8373 124.4080 52.9196 42.0472 176.4048 49 T 4.5662 8.2590 116.5242 61.4065 69.5468 176.0903 50 L 3.9293 8.7284 125.9902 58.9682 41.9554 178.7871 51 V 3.6016 7.7956 117.5317 66.1419 31.4427 177.6688 52 I 3.7062 7.7585 118.7794 64.6180 37.0131 178.1229 53 E 4.1234 8.3644 119.2484 59.4450 29.3191 179.5233 54 L 4.1105 8.3160 119.2154 57.8926 41.7260 179.7071 55 S 4.1967 8.4485 115.3660 61.7472 62.5892 176.8878 56 S 4.1566 8.0510 116.3931 61.8651 62.7354 176.6700 57 L 4.2846 8.0739 120.1253 56.8817 41.6996 178.4843 58 L 4.5828 8.0458 117.0529 54.6842 42.2109 177.9724 59 H 4.2026 8.4237 114.9176 57.9908 28.2208 175.7064 60 D 4.5021 7.6982 117.9180 54.5586 41.4798 176.6206 61 T 3.4734 7.4744 107.9907 62.0364 68.5343 174.1022 62 V 4.1838 6.7695 113.4417 60.3799 35.7543 175.1005 *73 Y 4.4810 8.1525 115.9188 57.6390 39.8377 176.9777 74 D 4.3869 8.3167 119.9007 57.7575 41.3585 178.0649 75 Q 4.1125 8.0980 117.9231 58.7337 28.6773 178.4025 76 L 3.9561 7.8800 120.9748 58.1856 42.3039 179.0127 77 K 3.9810 8.7904 118.7972 59.2769 31.6832 179.1327 78 Q 3.9003 7.9030 119.1354 59.1197 29.3544 177.7653 79 F 4.1773 8.0991 121.4906 61.4184 39.4275 177.0935 80 L 3.8193 8.0740 118.4990 57.4114 41.1369 178.8579 81 S 4.3086 7.6565 111.4252 59.6119 62.4633 174.7374 82 T 4.3608 7.5926 110.7149 62.1407 69.1991 174.5925 83 L 4.1648 7.0861 120.4206 53.8349 42.3872 175.8113 84 D 4.2635 7.6517 116.9881 55.2181 39.3209 172.8313 85 L 4.6705 7.2729 117.4145 53.0257 44.4349 177.9678 86 S 4.4159 8.2182 116.7585 57.9822 65.2440 175.5246 87 S 4.1871 8.4983 117.7955 61.5380 62.7066 176.1572 88 E 3.8691 8.0848 122.3592 59.1326 29.4671 178.8355 89 I 3.7278 7.5920 119.2242 64.2948 37.2790 178.1235 90 S 4.0985 8.4685 114.3356 61.8478 62.1507 176.4644 91 Q 4.0929 8.6215 120.6671 58.5356 28.3374 178.4746 92 Q 3.9545 7.8263 120.4880 59.1954 29.0775 178.4938 93 V 3.6365 7.8907 119.0932 66.0210 31.5214 177.8394 94 L 4.1010 7.9324 118.6470 58.0503 41.5020 178.8596 95 Y 4.0466 8.3292 119.4618 60.7643 38.5132 178.2126 96 I 3.7492 7.7235 119.2817 64.6024 37.3609 178.0475 97 I 3.9008 7.8109 119.2879 64.4485 37.0238 178.1432 98 K 4.6423 8.2314 120.9022 57.8052 32.2262 176.4713 99 H 4.5715 7.3433 114.6165 54.0352 30.8641 173.4436 *109 H 4.5631 8.3034 119.2259 56.2715 30.4195 172.6720 110 V 4.4938 7.7983 118.3338 59.1302 35.0948 175.5503 111 K 4.2231 8.3028 120.9129 56.2773 32.6698 176.0694 112 L 4.9416 8.2806 120.4312 52.0896 45.6063 176.9877 113 S 4.4409 8.2566 114.9319 57.8646 65.1917 174.6497 114 I 3.6911 8.3129 121.1379 64.4987 37.3415 177.3749 115 D 4.4677 8.1261 119.3685 57.3044 40.6978 178.8200 116 G 3.6403 7.7403 105.0459 47.7902 0.0000 175.7514 117 E 4.0112 8.6506 121.1530 58.8736 29.3247 179.5034 118 I 3.7866 7.8295 120.4061 64.1622 37.2264 178.4691 119 V 3.5755 7.6462 118.9364 65.8652 31.2807 178.2843 120 R 3.9252 8.1656 117.9223 59.4118 29.9104 178.6886 121 D 4.3590 8.3114 118.4388 57.3793 40.6058 178.7796 122 A 3.9857 7.9213 120.0989 55.1599 18.3048 178.9263 123 D 4.3781 8.1944 116.5481 57.4685 41.3003 178.4233 124 R 3.8981 8.4065 119.7001 59.4143 30.1755 178.3607 125 L 3.9602 8.3422 119.2711 57.8197 41.4287 178.5714 126 D 4.5037 7.7158 115.1909 55.7881 41.6439 176.9727 127 A 4.3770 8.1369 120.5482 52.8324 19.3889 176.0828 128 I 4.6406 7.4390 110.4278 59.2106 40.9019 175.2314 129 G 4.0665 8.3912 107.3755 45.0839 0.0000 173.3891 130 A 3.9754 8.1220 118.7256 55.3003 18.1389 180.2250 131 I 3.7476 7.5995 117.9050 64.4754 37.2971 178.5837 132 G 4.0276 7.6635 107.4481 47.2208 0.0000 175.7646 133 I 3.3779 7.7938 121.7850 63.9903 37.1650 178.2994 134 A 4.1162 7.9975 121.5626 55.2710 18.2381 179.6401 135 R 3.8747 8.5174 117.5139 59.8180 30.1817 178.7850 136 T 3.8915 8.0488 115.5809 66.8950 68.4150 176.6857 137 F 4.4548 8.1994 120.8313 59.9215 38.8737 177.8327 138 Q 4.0070 8.3783 117.8983 59.0006 28.4497 178.7964 139 F 3.8568 8.3299 118.9526 60.5082 38.7862 177.8400 140 S 4.5894 8.3956 114.0175 61.5872 62.7553 176.8650 141 G 3.6521 8.5132 109.5522 47.7528 0.0000 175.0588 142 H 4.0392 8.4321 120.1441 58.6811 29.8951 176.4461 143 F 4.8639 8.2763 116.5865 56.6940 39.2082 175.8886 144 G 3.9413 7.9843 106.6890 46.6761 0.0000 173.7842 145 E 4.7136 8.9454 119.5303 53.4433 31.1365 176.7494 146 P 4.9802 0.0000 0.0000 62.6304 33.6855 176.4162 *148 W 5.3589 8.5790 129.3835 57.4598 31.4866 173.6650 149 T 4.5183 6.2066 111.0543 59.4196 71.3141 173.3230 150 E 3.9509 8.2491 122.1276 56.2503 30.3155 176.3092 151 T 4.5754 7.8542 116.1948 60.1246 70.5944 173.6312 152 K 4.3005 8.4243 123.6517 57.2594 33.5056 177.1252 153 L 4.3468 7.7640 120.9825 54.4056 42.4230 177.0622 154 S 4.4656 9.1506 117.2854 57.7571 64.0208 174.9709 155 N 4.2291 8.8505 119.1230 56.8323 38.0705 177.4964 156 E 4.0864 7.7573 118.7092 59.4813 29.5357 179.2464 157 E 4.0839 8.1778 118.4638 59.0034 29.2720 179.0802 158 L 4.0115 7.3026 118.0796 57.0356 41.5657 177.9417 159 H 4.8824 7.7950 114.7781 55.6018 29.3882 174.2313 160 T 4.7293 7.7000 112.4949 59.1908 71.4711 175.0104 161 S 4.2407 8.4994 115.2260 61.1899 62.6435 176.0252 162 L 4.0467 7.8741 122.6701 57.3872 41.2396 179.4364 163 V 3.6837 7.9236 119.3081 64.6890 30.9012 178.0634 164 E 4.1123 8.1623 118.2086 58.6688 29.3281 178.1988 165 E 4.1807 8.0852 117.2287 56.7771 30.0271 177.0234 166 L 4.2608 7.0756 119.2548 54.0107 42.5395 176.6399 167 D 4.5556 8.2220 120.9418 53.7831 41.5403 176.3544 168 N 4.4487 8.4983 119.7943 54.0225 39.1640 175.1720 169 S 4.8187 8.2665 115.1033 56.2095 66.7216 175.7118 170 A 3.9040 8.4023 125.4174 55.5225 18.3875 180.0544 171 I 2.9831 7.5800 117.7781 63.8986 36.9846 178.1566 172 K 4.1361 8.4395 120.6549 60.1872 32.0288 178.2181 173 H 4.1027 8.1779 117.8865 59.0338 29.5476 177.2933 174 F 3.4324 8.2470 119.8095 60.6366 38.4481 177.2476 175 Y 4.2299 7.7599 114.3517 60.9716 37.8639 177.4202 176 E 4.2110 8.4759 119.7331 58.0227 30.0078 176.4833 177 K 4.3147 7.9589 117.6005 57.8465 34.5112 177.7801 178 L 3.7336 7.6587 117.9692 57.9386 41.4232 179.4656 179 F 4.8175 7.7684 114.5043 59.2902 37.9449 176.1065 180 K 4.4672 8.0113 119.7713 56.6715 33.0850 178.6588 181 L 4.1636 7.8417 119.5326 57.4260 41.9104 179.2112 182 K 3.8709 8.2304 118.7278 59.6852 32.0279 177.3479 183 D 4.4862 7.4059 112.4545 55.6464 40.6665 177.0502 184 L 4.3055 7.4516 120.6708 53.4483 40.5678 175.5458 *186 H 4.7528 8.4063 121.6570 55.9231 31.8090 174.4736 187 T 4.2588 8.3634 110.5258 60.6628 70.9522 173.7728 188 P 4.2539 0.0000 0.0000 66.0198 31.4093 179.3011 189 T 3.9288 7.9809 114.7037 66.5183 68.3379 176.7090 190 A 4.0603 8.0027 122.5236 54.9716 18.3780 179.7606 191 K 3.8852 8.2337 117.1211 59.4109 32.1394 179.3119 192 K 4.0727 8.0290 119.7516 59.7403 32.0332 178.8240 193 L 4.0743 8.0477 118.9069 57.7477 41.4765 179.4338 194 A 4.0308 8.4925 121.2139 55.0922 18.1823 179.5200 195 E 3.9923 8.4016 117.3144 59.3626 29.5099 179.1743 196 E 3.9586 7.8541 117.9070 59.5951 29.5964 179.2479 197 R 4.0504 7.5730 116.6735 59.2189 30.1076 178.4010 198 H 4.3789 8.5320 118.0046 59.3950 30.2739 176.6537 199 Q 4.1788 8.4809 121.7308 59.0702 28.7196 178.9252 200 F 4.9561 8.1125 121.6048 58.0142 39.3051 176.9301 *202 I 4.1776 7.7439 118.7858 61.0678 39.1629 178.0751 203 Q 3.9122 8.0169 119.1223 59.1397 28.3942 178.4602 204 Y 3.8038 8.1702 120.8363 60.3388 38.6168 177.6689 205 L 3.8814 8.0612 119.8541 58.1224 42.3975 178.3729 206 K 4.0629 8.0539 118.4622 59.5315 32.3679 178.2343 207 Q 4.0815 8.0593 119.9276 58.8450 28.8224 178.1060 208 F 3.9494 8.1075 118.3833 59.3102 38.9525 176.4691 *210 S 4.4563 7.9644 113.1103 57.9477 65.0855 174.8528 211 E 4.1757 8.0376 120.0333 58.5674 29.6721 178.6125 212 W 3.9338 8.3654 128.0916 60.0477 30.9918 176.2615 213 N 4.8890 8.2247 113.2425 52.6575 38.3403 173.8914 214 F 4.1306 7.8917 121.5141 59.7430 39.4367 174.1529 215 N 3.8029 7.9027 125.3736 54.0393 37.3143 172.7842 216 K 4.4351 7.5838 116.6498 54.2186 33.5215 175.6703 217 E 4.3208 8.5012 125.8106 56.9159 29.3608 174.5867 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 8.42 4.74 0.00 2.85 2.92 0.00 0.00 6.07 6.76 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 3 S 8.63 4.09 0.00 4.00 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 4 R 8.84 4.03 0.00 1.89 1.97 0.00 3.16 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 *6 K 8.17 4.28 0.00 2.01 1.89 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.73 7.81 7 I 8.19 3.79 2.07 0.00 0.00 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 1.51 0.88 1.03 0.00 0.00 8 K 8.18 3.98 0.00 1.93 2.00 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.62 7.81 9 K 8.19 4.15 0.00 2.18 2.13 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.58 7.81 10 A 8.29 4.23 1.56 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 0.00 0.00 11 Y 8.12 4.24 0.00 2.84 3.22 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 12 E 8.36 3.90 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 13 Y 7.93 3.64 0.00 2.28 2.48 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 *15 K 8.01 4.08 0.00 1.72 1.67 0.00 0.73 0.00 0.00 1.11 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.95 7.81 16 S 7.86 3.94 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.89 3.71 0.00 2.48 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 18 H 7.62 4.74 0.00 3.31 3.21 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.46 3.92 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 7.33 0.00 0.00 0.00 0.00 0.00 2.14 1.75 0.00 20 H 7.79 4.59 0.00 3.06 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.89 4.62 0.00 2.73 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 22 T 8.20 4.50 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 1.18 0.00 0.00 23 T 7.87 4.40 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 24 G 8.38 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.21 4.08 0.00 3.20 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.92 4.23 0.00 2.57 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 0.00 0.00 0.00 0.00 27 I 7.61 3.64 1.84 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 1.54 0.58 0.94 0.00 0.00 28 A 8.16 4.23 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 29 H 8.49 4.00 0.00 3.12 3.48 0.00 5.80 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 30 V 7.76 3.61 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 1.11 0.00 0.00 0.98 0.00 0.00 31 E 8.46 4.12 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 32 R 8.24 3.98 0.00 1.98 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 33 V 7.88 3.54 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 1.02 0.00 0.00 0.80 0.00 0.00 34 Y 8.51 4.02 0.00 3.04 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.81 4.31 0.00 2.76 2.87 0.00 0.00 7.11 6.70 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 36 N 8.59 4.28 0.00 2.84 2.84 0.00 0.00 6.85 7.07 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 37 A 8.17 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.94 3.99 0.00 2.91 2.83 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 39 Y 7.94 3.93 0.00 3.16 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 40 I 8.21 3.72 2.02 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 1.84 0.83 0.93 0.00 0.00 41 A 8.28 3.92 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.71 3.73 0.00 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0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.80 3.60 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 1.14 0.00 0.00 0.95 0.00 0.00 52 I 7.76 3.71 1.99 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 1.81 0.43 0.87 0.00 0.00 53 E 8.36 4.12 0.00 2.13 2.32 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 2.25 2.51 0.00 54 L 8.32 4.11 0.00 1.94 1.80 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.45 4.20 0.00 4.06 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 56 S 8.05 4.16 0.00 4.19 4.06 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 57 L 8.07 4.28 0.00 1.76 1.82 0.85 0.86 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 58 L 8.05 4.58 0.00 1.82 1.70 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.42 4.20 0.00 3.31 3.73 0.00 5.54 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.70 4.50 0.00 2.50 2.63 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 61 T 7.47 3.47 3.04 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 0.84 0.00 0.00 62 V 6.77 4.18 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 0.30 0.00 0.00 0.74 0.00 0.00 *73 Y 8.15 4.48 0.00 3.08 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 74 D 8.32 4.39 0.00 2.81 2.73 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 75 Q 8.10 4.11 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 76 L 7.88 3.96 0.00 1.70 1.85 0.93 0.91 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 77 K 8.79 3.98 0.00 2.04 1.88 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.74 7.81 78 Q 7.90 3.90 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 79 F 8.10 4.18 0.00 2.60 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.07 3.82 0.00 1.80 1.63 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.66 4.31 0.00 3.97 4.06 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 82 T 7.59 4.36 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 83 L 7.09 4.16 0.00 1.45 1.58 0.71 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.65 4.26 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.27 4.67 0.00 1.62 1.53 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.22 4.42 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.50 4.19 0.00 4.06 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 0.00 88 E 8.08 3.87 0.00 2.04 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 2.36 2.38 0.00 89 I 7.59 3.73 1.86 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 1.41 0.72 0.92 0.00 0.00 90 S 8.47 4.10 0.00 3.89 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 91 Q 8.62 4.09 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 92 Q 7.83 3.95 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 93 V 7.89 3.64 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.03 0.00 0.00 94 L 7.93 4.10 0.00 1.98 1.78 1.00 0.95 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 95 Y 8.33 4.05 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.72 3.75 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.96 0.00 0.00 97 I 7.81 3.90 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.73 0.94 0.00 0.00 98 K 8.23 4.64 0.00 1.79 1.84 0.00 1.21 0.00 0.00 1.30 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.04 1.25 7.81 99 H 7.34 4.57 0.00 2.86 3.04 0.00 5.74 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 H 8.30 4.56 0.00 3.09 3.28 0.00 5.86 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 0.00 110 V 7.80 4.49 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 0.76 0.00 0.00 111 K 8.30 4.22 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 112 L 8.28 4.94 0.00 1.60 1.59 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.26 4.44 0.00 4.05 4.01 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 0.00 114 I 8.31 3.69 1.89 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 1.65 1.35 0.91 0.00 0.00 115 D 8.13 4.47 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 7.74 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 0.00 117 E 8.65 4.01 0.00 1.85 1.86 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 2.53 2.12 0.00 118 I 7.83 3.79 2.01 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 1.42 0.81 0.90 0.00 0.00 119 V 7.65 3.58 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 0.98 0.00 0.00 1.00 0.00 0.00 120 R 8.17 3.93 0.00 2.00 1.98 0.00 3.42 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 121 D 8.31 4.36 0.00 2.86 2.73 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 0.00 122 A 7.92 3.99 1.40 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 0.00 0.00 0.00 123 D 8.19 4.38 0.00 2.78 2.83 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 0.00 124 R 8.41 3.90 0.00 2.04 2.02 0.00 3.16 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 125 L 8.34 3.96 0.00 1.85 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.72 4.50 0.00 2.65 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 0.00 127 A 8.14 4.38 1.34 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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1.90 1.87 0.00 136 T 8.05 3.89 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 137 F 8.20 4.45 0.00 3.16 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 0.00 138 Q 8.38 4.01 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 139 F 8.33 3.86 0.00 3.36 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.40 4.59 0.00 4.25 4.25 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 0.00 141 G 8.51 3.65 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 0.00 0.00 0.00 142 H 8.43 4.04 0.00 2.86 3.09 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.28 4.86 0.00 3.25 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 0.00 144 G 7.98 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 0.00 145 E 8.95 4.71 0.00 1.93 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 0.00 2.39 2.46 0.00 146 P 0.00 4.98 0.00 2.48 1.93 0.00 3.94 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 2.25 2.03 0.00 *148 W 8.58 5.36 0.00 2.89 2.02 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 0.00 149 T 6.21 4.52 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 150 E 8.25 3.95 0.00 1.92 1.89 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 2.39 2.30 0.00 151 T 7.85 4.58 4.01 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 1.21 0.00 0.00 152 K 8.42 4.30 0.00 1.87 1.89 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.48 7.81 153 L 7.76 4.35 0.00 1.64 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 154 S 9.15 4.47 0.00 3.99 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 0.00 155 N 8.85 4.23 0.00 2.80 3.00 0.00 0.00 6.88 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 0.00 156 E 7.76 4.09 0.00 2.10 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 2.35 2.42 0.00 157 E 8.18 4.08 0.00 2.20 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 0.00 2.34 2.35 0.00 158 L 7.30 4.01 0.00 1.30 0.84 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 159 H 7.79 4.88 0.00 3.30 3.42 0.00 5.80 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 0.00 160 T 7.70 4.73 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 1.25 0.00 0.00 161 S 8.50 4.24 0.00 4.08 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.87 4.05 0.00 1.91 1.77 0.94 0.61 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 0.00 163 V 7.92 3.68 2.38 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 0.90 0.00 0.00 1.00 0.00 0.00 164 E 8.16 4.11 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 165 E 8.09 4.18 0.00 2.04 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 2.34 0.00 166 L 7.08 4.26 0.00 1.85 1.59 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.22 4.56 0.00 2.61 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 0.00 168 N 8.50 4.45 0.00 2.71 2.78 0.00 0.00 6.77 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 0.00 169 S 8.27 4.82 0.00 4.29 4.01 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 0.00 170 A 8.40 3.90 0.93 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 0.00 0.00 171 I 7.58 2.98 1.66 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.12 -0.37 0.00 0.00 172 K 8.44 4.14 0.00 2.07 2.19 0.00 1.84 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.54 1.59 7.81 173 H 8.18 4.10 0.00 3.21 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 F 8.25 3.43 0.00 2.62 1.89 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 0.00 175 Y 7.76 4.23 0.00 3.07 3.24 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 0.00 176 E 8.48 4.21 0.00 2.01 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 2.32 2.33 0.00 177 K 7.96 4.31 0.00 1.50 1.29 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.43 7.81 178 L 7.66 3.73 0.00 1.12 1.22 -0.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 179 F 7.77 4.82 0.00 3.05 3.05 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 0.00 180 K 8.01 4.47 0.00 1.98 1.86 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.48 7.81 181 L 7.84 4.16 0.00 1.78 1.69 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 182 K 8.23 3.87 0.00 1.69 1.72 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.36 7.81 183 D 7.41 4.49 0.00 2.69 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 0.00 184 L 7.45 4.31 0.00 1.81 1.64 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *186 H 8.41 4.75 0.00 3.12 3.55 0.00 5.92 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 T 8.36 4.26 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 1.32 0.00 0.00 188 P 0.00 4.25 0.00 2.17 2.13 0.00 3.96 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 2.09 2.15 0.00 189 T 7.98 3.93 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 190 A 8.00 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 8.23 3.89 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.74 7.81 192 K 8.03 4.07 0.00 2.15 1.88 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 193 L 8.05 4.07 0.00 1.87 1.65 0.87 0.35 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 0.00 194 A 8.49 4.03 1.40 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 0.00 0.00 0.00 195 E 8.40 3.99 0.00 2.20 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 2.33 2.60 0.00 196 E 7.85 3.96 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 197 R 7.57 4.05 0.00 1.79 2.08 0.00 3.18 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 198 H 8.53 4.38 0.00 3.23 3.58 0.00 5.96 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Q 8.48 4.18 0.00 2.23 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.70 2.41 0.00 200 F 8.11 4.96 0.00 3.29 3.23 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 *202 I 7.74 4.18 1.97 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.81 0.00 0.00 203 Q 8.02 3.91 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 204 Y 8.17 3.80 0.00 2.88 3.07 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 0.00 205 L 8.06 3.88 0.00 1.90 1.89 0.94 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 206 K 8.05 4.06 0.00 1.89 1.79 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 207 Q 8.06 4.08 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 208 F 8.11 3.95 0.00 2.79 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 *210 S 7.96 4.46 0.00 4.11 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.04 4.18 0.00 2.00 1.89 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 2.19 2.32 0.00 212 W 8.37 3.93 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 N 8.22 4.89 0.00 2.94 2.88 0.00 0.00 6.74 8.13 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 0.00 214 F 7.89 4.13 0.00 3.24 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 N 7.90 3.80 0.00 2.06 2.66 0.00 0.00 7.06 6.68 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 0.00 216 K 7.58 4.44 0.00 1.74 1.79 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 217 E 8.50 4.32 0.00 1.87 1.70 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 2.15 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.