NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2753 8.3031 120.1288 56.0236 34.1868 176.4077 4 G 3.7593 7.7831 107.6433 45.6638 0.0000 172.9436 5 E 4.1553 8.0496 120.9812 59.2861 29.6766 177.1785 6 E 4.1401 8.1115 116.1203 58.7370 29.8583 178.3204 7 L 4.0392 7.6738 118.1576 55.9079 41.6446 177.2808 8 F 4.9352 7.6848 116.4950 57.3357 39.5374 176.5629 9 T 4.1746 8.2213 113.2860 63.4141 69.4169 174.3510 10 G 4.4002 7.7058 111.1632 44.1041 0.0000 171.6400 11 V 4.3103 8.3300 120.3368 62.3080 32.6686 176.9694 12 V 4.5490 9.0324 127.7027 60.2505 34.3761 172.9997 13 P 4.8107 0.0000 0.0000 62.9356 32.7346 175.2035 14 I 5.0518 8.7262 123.8850 59.3850 41.0456 174.2025 15 L 5.1854 8.8757 127.3694 53.2165 45.3214 175.1605 16 V 5.0706 9.0343 125.5878 61.2467 34.8388 173.9921 17 E 5.3017 9.4562 126.4113 54.6294 34.0350 174.1112 18 L 5.2580 9.1149 125.4787 53.3677 45.6624 174.5138 19 D 5.0748 9.2623 126.2127 52.5087 43.5470 175.6268 20 G 4.3740 8.1645 109.5482 44.2053 0.0000 170.9971 21 D 5.5471 7.7987 116.9641 54.2350 44.6432 174.0247 22 V 4.7441 8.4684 126.0396 61.2781 34.3492 174.9908 23 N 4.3039 10.0210 127.3408 54.4219 36.6659 175.7721 24 G 3.8530 8.6874 104.8410 45.7532 0.0000 174.0459 25 H 4.6118 8.3081 118.4418 54.6169 28.4486 174.5600 26 K 5.0203 8.4501 124.6193 56.1008 33.1374 176.4724 27 F 4.9513 8.2597 116.5363 56.3585 41.5333 172.9775 28 S 5.2553 8.8580 115.2103 56.8727 67.2179 173.5560 29 V 4.9245 8.9196 121.7935 60.3210 34.9283 174.3083 30 S 5.3042 8.9768 118.9330 56.9574 66.1746 173.3726 31 G 4.3329 9.1892 109.7544 44.8751 0.0000 171.1672 32 E 4.9818 7.6348 118.0639 54.6698 33.0661 175.0234 33 G 4.0557 8.2665 109.9127 46.0474 0.0000 171.7616 34 E 4.9895 8.1228 119.8843 55.2355 33.4437 175.0578 35 G 3.4632 8.8023 108.1169 44.3953 0.0000 171.4206 36 D 5.3502 9.4285 121.8582 51.8606 42.0424 175.7351 37 A 4.5419 9.0223 127.5752 54.5731 19.0896 180.0037 38 T 3.7434 8.1622 112.0143 66.3255 68.4488 174.4317 39 Y 4.5228 7.9381 115.4781 56.9325 38.7733 175.6097 40 G 4.2722 8.3321 108.5696 46.3917 0.0000 172.7864 41 K 4.9822 8.1806 120.6287 54.0530 34.8299 174.8000 42 L 5.0094 8.3952 125.7168 54.4238 44.6155 175.0350 43 T 4.8988 8.7110 117.0707 61.9179 71.8159 173.0805 44 L 4.9929 8.9111 125.4515 52.6898 46.8507 175.2762 45 K 4.6397 8.1615 121.9872 54.5383 35.4628 174.7791 46 F 5.1231 9.0261 125.5365 55.6671 42.3676 174.4882 47 I 5.0806 8.7757 122.9475 59.5577 40.7917 174.3610 48 C 4.7675 9.5606 128.3596 59.3477 31.6994 173.9055 49 T 4.2616 8.6202 117.1061 62.7273 68.7723 175.3486 50 T 4.4944 7.7190 111.2145 61.2133 70.1582 173.7887 51 G 4.0542 7.3222 105.9482 44.2093 0.0000 174.7535 52 K 4.1814 8.5933 123.8133 56.0119 32.6418 176.4767 53 L 3.7549 8.5039 126.6078 54.1950 42.3120 175.2368 54 P 4.2445 0.0000 0.0000 63.9578 31.8502 175.9206 55 V 4.1259 6.4258 110.7589 58.2236 35.4795 173.2422 56 P 4.4589 0.0000 0.0000 62.0879 32.0719 177.8106 57 W 4.3960 9.1598 122.3847 59.8667 28.8647 177.0300 58 P 4.5341 0.0000 0.0000 65.7185 30.6040 178.3287 59 T 4.3230 8.0636 107.1966 63.4509 68.9892 175.4639 60 L 4.4423 7.8108 121.0085 54.3199 41.9881 178.0724 61 V 3.5661 7.4835 119.7527 66.3602 31.5326 177.7724 62 T 4.1394 7.9939 107.6038 65.0152 68.7196 176.2641 63 T 4.1153 7.6429 117.4762 65.9792 70.0362 176.2651 64 F 4.8177 7.4533 119.2440 57.3198 36.1379 176.9423 *68 V 4.1027 7.1930 115.6085 61.5222 32.9979 177.1224 69 Q 3.9498 7.7208 118.6812 57.1989 29.0304 178.5666 70 C 4.0472 7.8146 112.7962 60.3547 29.9219 174.2569 71 F 4.5973 8.0229 118.8822 57.6285 38.7389 175.6562 72 S 4.6298 7.6264 117.2042 58.5958 63.7514 174.0735 73 R 4.4830 9.0892 123.9906 55.8218 30.9029 174.8443 74 Y 4.5141 8.5922 125.2933 55.7805 38.8867 174.3879 75 P 4.4188 0.0000 0.0000 62.2623 32.3616 176.9778 76 D 4.4472 8.9232 120.4874 58.0758 40.7660 178.7395 77 H 4.4861 8.2053 111.6052 57.2279 29.1325 175.4896 78 M 4.6392 8.0880 120.0730 55.1065 32.2887 177.8417 79 K 4.0009 7.7334 120.7209 59.3785 32.2166 178.4748 80 R 4.0686 7.9708 114.7152 57.6136 29.7269 176.3387 81 H 4.8024 8.2049 114.0444 55.5211 29.3926 174.4244 82 D 3.7204 7.2751 122.1164 52.1002 39.8228 176.1834 83 F 3.9575 8.1061 125.9414 60.5835 39.3689 175.9350 84 F 4.2613 7.6698 115.7109 60.8981 39.1486 177.5125 85 K 4.1074 8.0849 117.4860 59.1026 31.5637 179.6785 86 S 4.1000 7.4162 113.4019 60.9934 63.1149 175.6535 87 A 4.0699 7.6033 122.2177 52.1790 18.2509 176.3476 88 M 4.8761 7.5204 118.2402 53.3290 33.6852 174.3433 89 P 4.9165 0.0000 0.0000 63.4661 33.5735 177.2299 90 E 3.7949 8.1954 119.0142 58.3722 29.7419 176.8300 91 G 4.1610 9.3924 104.2399 44.3202 0.0000 171.0531 92 Y 5.3598 8.0736 115.1347 55.4998 42.2170 174.1536 93 V 4.7643 9.2326 120.9659 61.5548 33.7483 174.1564 94 Q 4.9866 9.4761 129.9347 54.7189 31.0262 173.8072 95 E 5.3308 9.4425 126.6890 54.8693 32.9360 175.5240 96 R 5.7932 8.7937 120.2863 54.3316 35.6734 173.9780 97 T 4.8132 8.3905 116.0391 61.8434 72.1351 173.0741 98 I 4.4363 8.8515 127.5086 59.4456 39.9782 174.9825 99 F 4.7883 8.6941 127.7553 56.0662 40.1147 175.4256 100 F 4.6384 8.8412 124.5194 56.2515 40.0106 175.5922 101 K 4.0396 8.7495 125.8971 57.9813 32.1571 175.8362 102 D 4.4801 9.0662 125.3920 54.9350 38.3134 172.5678 103 D 4.4653 8.0004 118.4735 53.6664 44.6163 173.9237 104 G 2.8995 7.5982 105.5546 45.8697 0.0000 171.9914 105 N 5.6981 8.1175 115.0063 51.5000 41.1729 173.0180 106 Y 5.6608 9.0023 118.2489 56.4858 41.1156 174.8494 107 K 5.0629 9.2694 122.8918 54.8319 35.4713 175.3753 108 T 5.1403 9.0454 115.1800 59.8503 72.5271 172.9672 109 R 5.1848 9.0748 122.5721 54.8030 33.5731 173.7085 110 A 5.2954 9.3312 127.2118 50.2596 23.3640 174.2189 111 E 4.8476 9.3004 120.1583 54.6079 32.1509 175.3270 112 V 4.8047 8.4355 125.7194 61.3240 33.5428 174.3967 113 K 4.7722 8.3892 126.1551 55.8495 36.4086 174.6416 114 F 4.6260 8.7246 120.1644 57.1996 40.1185 176.2843 115 E 4.5265 9.3618 122.9627 54.8075 31.1173 176.7659 116 G 3.9510 8.4652 118.7380 47.4096 0.0000 173.2885 117 D 4.7213 8.8021 122.7164 53.6377 40.4748 173.8999 118 T 4.7545 7.7488 114.2071 61.3957 69.7591 173.3681 119 L 4.0160 8.6973 131.0661 54.2991 43.1069 175.5200 120 V 4.7972 8.6260 120.7577 59.6163 34.7373 174.9143 121 N 4.9423 9.0889 122.7726 52.0835 41.2519 172.8279 122 R 5.0720 8.9177 126.0778 54.5139 32.5266 175.4279 123 I 5.1135 9.3625 125.3983 59.4220 41.0809 174.5170 124 E 5.1185 9.1129 124.2961 54.4774 32.9207 174.7787 125 L 5.1109 8.8243 125.6038 53.0302 45.8378 174.8275 126 K 4.9923 9.1912 127.0359 54.5893 35.4290 174.5895 127 G 4.9662 9.3122 115.6536 44.7102 0.0000 172.4074 128 I 5.0861 8.4938 117.8298 59.5999 41.5993 175.0898 129 D 4.7079 8.8475 120.3186 55.4719 38.0755 174.1919 130 F 4.5862 7.6482 117.7447 56.8273 39.9109 175.8457 131 K 4.2659 9.4257 124.8504 56.0501 32.4089 178.4667 132 E 4.0360 9.1063 125.7400 59.4462 29.5782 178.1155 133 D 4.9175 7.9577 115.4132 52.5674 41.3768 181.0016 134 G 4.0360 7.9134 110.8395 45.8686 0.0000 174.7246 135 N 4.3610 8.6567 115.2088 56.2010 38.6336 177.3853 136 I 3.6700 6.9571 117.9653 63.8772 37.5617 178.0921 137 L 3.8283 7.5355 120.5554 56.8585 41.8456 178.2718 138 G 3.7231 7.9833 106.1211 45.2480 0.0000 173.2461 139 H 3.9162 7.3405 116.1359 57.1161 26.5925 174.8261 140 K 4.5589 8.5118 116.0069 56.2090 33.8555 178.1346 141 L 4.8496 7.8111 120.2125 54.0871 42.8198 176.5058 142 E 4.3049 8.7942 121.5901 56.1486 30.6017 177.0971 143 Y 4.5493 8.4153 123.9901 55.4929 37.2599 173.3867 144 N 4.8183 7.6103 119.3630 52.4093 40.5030 173.6093 145 Y 4.5236 8.1034 116.7791 56.8350 41.3921 173.4142 146 N 4.8106 7.9475 123.2453 51.8440 40.8525 173.9813 147 S 5.1238 7.9988 113.5066 56.9114 64.8582 173.1053 148 H 5.0669 8.9797 118.3839 54.3035 33.6094 171.5746 149 N 5.2576 8.6992 116.2850 51.5038 40.9935 174.4818 150 V 4.1458 8.4589 123.7866 61.3258 33.8842 173.8246 151 Y 4.9449 8.8503 126.6243 57.0665 39.6529 174.6349 152 I 5.1309 8.8255 125.9737 59.7572 40.0253 174.7312 153 M 5.1716 9.0890 122.6544 53.3237 34.9228 174.4150 154 A 4.2629 8.6467 122.0477 52.2997 19.7766 177.1341 155 D 4.7136 8.7509 120.2459 51.8188 40.8195 176.4099 156 K 4.0830 8.4061 123.3789 58.7760 32.8152 179.6416 157 Q 4.0230 8.1961 117.1834 58.5761 28.7519 176.9867 158 K 4.2324 8.0040 114.4051 55.7178 32.2931 176.0246 159 N 4.3372 7.7888 115.6520 54.1268 38.6592 173.8843 160 G 3.8505 7.8687 105.9339 44.7535 0.0000 172.3754 161 I 4.9790 8.1746 115.5332 59.0401 41.7613 174.8036 162 K 5.1191 8.8862 122.5557 54.7252 35.1222 175.5597 163 V 5.0303 8.8266 123.3905 61.3120 35.2497 173.5862 164 N 5.4164 9.4029 125.3130 50.8735 42.6549 172.8027 165 F 5.0464 7.6739 117.1697 56.2877 41.0182 172.7759 166 K 4.8553 8.8091 119.4268 54.6815 34.1376 176.0317 167 I 3.7115 8.5176 127.1067 60.9083 38.6637 175.7386 168 R 4.6531 8.5641 124.9092 55.0815 31.5419 175.1724 169 H 4.7997 8.9228 123.0996 54.0289 30.6239 174.8866 170 N 4.8275 8.8111 121.3746 53.4404 39.8365 174.2627 171 I 4.8352 8.7137 123.9271 59.4380 39.2891 176.9361 172 E 3.9778 8.9845 123.5595 58.6552 29.3944 177.4516 173 D 4.5973 8.1132 117.5043 53.1382 39.9530 177.1104 174 G 3.9262 8.5989 109.4654 45.1070 0.0000 173.6483 175 S 4.6881 8.3562 115.3350 57.1636 65.9710 172.8248 176 V 4.8290 8.1242 118.6075 61.2103 34.0869 174.4050 177 Q 4.5386 9.1127 129.6113 54.8234 30.4153 174.7036 178 L 4.7744 8.5683 126.3947 54.4497 43.7981 176.1338 179 A 4.6148 8.8450 123.5673 49.9497 21.6474 174.5198 180 D 4.5332 8.9254 122.6051 55.0764 42.3847 174.8648 181 H 4.7789 8.7944 124.6573 54.6630 30.3637 173.6897 182 Y 4.5668 8.8620 122.5328 56.2337 39.9431 174.9427 183 Q 5.1936 9.1162 124.7716 54.4964 33.4806 173.4449 184 Q 4.9621 9.4338 124.8263 54.5505 33.0620 173.1700 185 N 6.2133 9.1162 122.7822 50.7534 42.1912 173.5604 186 T 5.0068 8.4402 112.0510 59.1467 72.4400 171.5614 187 P 4.9238 0.0000 0.0000 63.3465 31.6557 176.3725 188 I 4.0519 9.0028 124.5223 63.7303 38.1056 176.8613 189 G 4.4930 7.8459 108.7053 44.3677 0.0000 172.4074 190 D 4.8136 8.3977 116.7209 53.6553 41.9843 177.2581 191 G 3.8576 7.8431 108.1607 44.8407 0.0000 171.6140 192 P 4.4815 0.0000 0.0000 62.1594 32.0603 176.4916 193 V 4.4580 7.9225 113.7048 59.2314 35.1008 175.1967 194 L 4.2278 8.0168 121.9129 54.1676 42.1644 176.7693 195 L 4.5652 8.3702 123.8430 52.4690 42.3892 174.8061 196 P 4.7038 0.0000 0.0000 61.7725 32.6585 175.3983 197 D 4.7564 8.5660 118.4084 53.3965 41.6992 176.2665 198 N 5.0893 8.8164 118.3176 54.1422 39.2914 173.9640 199 H 4.8505 8.3804 116.5475 55.5952 31.8910 171.4548 200 Y 5.2350 7.9568 115.1844 55.5665 41.9252 173.8280 201 L 4.9276 8.6403 119.9851 53.0141 44.7605 175.4831 202 S 5.2041 9.1002 118.9732 57.0898 64.0561 172.9847 203 T 5.2573 8.8501 117.0758 60.2811 72.2124 172.9756 204 Q 4.8711 8.7732 120.2937 54.8337 33.6664 174.1540 205 S 5.1213 8.8159 117.6666 56.8558 67.2498 173.0785 206 A 4.7529 9.2062 125.9975 50.1274 21.4659 174.8424 207 L 5.0763 8.3918 122.7500 53.5055 43.8829 175.9166 208 S 4.8230 8.9536 116.5764 57.9102 66.8659 172.8405 209 K 4.9466 8.5619 118.0714 54.6479 35.9681 175.6148 210 D 4.7470 8.7345 121.4741 51.8452 41.9718 175.4910 211 P 4.2714 0.0000 0.0000 65.4421 31.3395 176.7468 212 N 4.6167 8.1883 113.7607 52.8215 39.0223 174.2688 213 E 4.2018 7.7567 120.8920 55.2966 29.9986 176.1065 214 K 4.3335 8.4415 124.9556 57.0685 33.1596 177.3212 215 R 4.2203 8.2182 118.2123 55.4123 30.8475 175.7697 216 D 4.7938 8.6240 120.3166 55.2850 42.2623 174.6920 217 H 4.9182 8.3933 119.1190 55.0805 31.5991 172.3059 218 M 4.4499 7.8701 117.9098 52.4090 35.6399 173.7109 219 V 4.6690 8.6278 125.5777 61.0279 34.2301 174.0065 220 L 5.2279 9.0114 129.3610 53.2070 45.7293 174.6048 221 L 5.0954 8.8823 127.2043 53.3291 45.4062 174.9025 222 E 5.2119 8.9981 124.1991 54.5901 34.3177 174.5761 223 F 5.3890 9.0795 119.8105 55.8723 43.0673 174.3779 224 V 4.9947 9.2290 122.8273 61.6723 35.3378 174.0028 225 T 5.0751 8.8204 123.1360 61.6705 72.3764 173.3682 226 A 4.3292 8.5949 128.5071 51.9631 19.6426 176.1179 227 A 4.1780 8.4627 121.3574 50.5797 22.9198 176.7685 228 G 3.9879 9.0104 105.6051 45.3713 0.0000 174.0573 229 I 4.5133 7.5049 119.8067 59.7794 39.5576 175.0668 230 T 4.5885 8.5513 113.3331 61.1857 69.8634 173.5447 231 H 4.5003 8.0838 122.9367 56.0432 28.8989 174.9766 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 K 8.30 4.28 0.00 1.73 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 4 G 7.78 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 5 E 8.05 4.16 0.00 2.06 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 2.36 2.36 0.00 6 E 8.11 4.14 0.00 2.35 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 2.27 1.97 0.00 7 L 7.67 4.04 0.00 1.38 0.94 0.41 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.68 4.94 0.00 3.23 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 9 T 8.22 4.17 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 1.29 0.00 0.00 10 G 7.71 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 0.00 0.00 0.00 0.00 11 V 8.33 4.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.02 0.00 0.00 12 V 9.03 4.55 2.50 0.00 0.00 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 1.02 0.00 0.00 13 P 0.00 4.81 0.00 2.11 1.94 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 14 I 8.73 5.05 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.07 1.00 0.00 0.00 15 L 8.88 5.19 0.00 1.62 1.46 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.03 5.07 2.28 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 1.28 0.00 0.00 1.10 0.00 0.00 17 E 9.46 5.30 0.00 1.92 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 18 L 9.11 5.26 0.00 1.87 1.66 0.79 0.95 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 19 D 9.26 5.07 0.00 2.50 2.42 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 20 G 8.16 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.80 5.55 0.00 2.63 2.42 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 22 V 8.47 4.74 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 0.74 0.00 0.00 0.91 0.00 0.00 23 N 10.02 4.30 0.00 3.02 2.97 0.00 0.00 7.16 7.04 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 24 G 8.69 3.85 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 0.00 0.00 0.00 25 H 8.31 4.61 0.00 3.31 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.45 5.02 0.00 1.67 1.73 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 27 F 8.26 4.95 0.00 3.01 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 28 S 8.86 5.26 0.00 3.81 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 29 V 8.92 4.92 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.15 0.00 0.00 30 S 8.98 5.30 0.00 3.84 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 31 G 9.19 4.33 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 0.00 32 E 7.63 4.98 0.00 1.95 1.90 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 2.03 2.11 0.00 33 G 8.27 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 0.00 0.00 0.00 34 E 8.12 4.99 0.00 2.01 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 2.09 2.15 0.00 35 G 8.80 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.43 5.35 0.00 2.71 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 37 A 9.02 4.54 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 3.74 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 0.64 0.00 0.00 39 Y 7.94 4.52 0.00 3.13 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 40 G 8.33 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.18 4.98 0.00 1.90 1.67 0.00 1.29 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.06 0.60 7.81 42 L 8.40 5.01 0.00 1.58 1.36 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.71 4.90 4.10 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 1.09 0.00 0.00 44 L 8.91 4.99 0.00 1.36 0.65 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.16 4.64 0.00 1.60 1.35 0.00 1.46 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.22 7.81 46 F 9.03 5.12 0.00 2.58 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.78 5.08 1.93 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 1.08 1.55 0.99 0.00 0.00 48 C 9.56 4.77 0.00 3.16 3.13 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 0.00 49 T 8.62 4.26 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 50 T 7.72 4.49 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 51 G 7.32 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 52 K 8.59 4.18 0.00 1.73 1.71 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.42 7.81 53 L 8.50 3.75 0.00 1.39 1.06 -0.58 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.24 0.00 1.82 1.94 0.00 2.49 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.67 0.00 55 V 6.43 4.13 1.79 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 0.33 0.00 0.00 0.48 0.00 0.00 56 P 0.00 4.46 0.00 2.18 2.03 0.00 3.41 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 57 W 9.16 4.40 0.00 3.68 3.45 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 0.00 0.00 0.00 0.00 58 P 0.00 4.53 0.00 2.30 2.41 0.00 3.74 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 59 T 8.06 4.32 4.47 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 1.07 0.00 0.00 60 L 7.81 4.44 0.00 1.27 0.52 0.75 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.48 3.57 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 0.44 0.00 0.00 0.81 0.00 0.00 62 T 7.99 4.14 4.55 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 1.49 0.00 0.00 63 T 7.64 4.12 4.07 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 1.17 0.00 0.00 64 F 7.45 4.82 0.00 2.81 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 *68 V 7.19 4.10 2.40 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 0.93 0.00 0.00 1.21 0.00 0.00 69 Q 7.72 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 70 C 7.81 4.05 0.00 2.12 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 71 F 8.02 4.60 0.00 3.29 3.13 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 0.00 72 S 7.63 4.63 0.00 4.02 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 73 R 9.09 4.48 0.00 2.00 1.83 0.00 3.22 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 74 Y 8.59 4.51 0.00 2.82 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.42 0.00 2.05 1.97 0.00 3.45 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 2.01 2.05 0.00 76 D 8.92 4.45 0.00 2.73 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 77 H 8.21 4.49 0.00 3.27 3.41 0.00 5.48 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.09 4.64 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 79 K 7.73 4.00 0.00 1.80 1.85 0.00 1.92 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.64 7.81 80 R 7.97 4.07 0.00 1.67 1.79 0.00 3.10 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 81 H 8.20 4.80 0.00 3.22 3.21 0.00 5.84 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 82 D 7.28 3.72 0.00 1.70 2.14 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 83 F 8.11 3.96 0.00 3.05 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 84 F 7.67 4.26 0.00 3.10 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 85 K 8.08 4.11 0.00 1.72 1.78 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.30 1.03 7.81 86 S 7.42 4.10 0.00 3.89 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 87 A 7.60 4.07 1.19 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 0.00 0.00 88 M 7.52 4.88 0.00 2.38 2.39 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.97 0.00 89 P 0.00 4.92 0.00 2.19 2.05 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 90 E 8.20 3.79 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 91 G 9.39 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.07 5.36 0.00 3.35 3.20 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 93 V 9.23 4.76 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 1.05 0.00 0.00 1.02 0.00 0.00 94 Q 9.48 4.99 0.00 2.60 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 95 E 9.44 5.33 0.00 1.94 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 2.25 2.30 0.00 96 R 8.79 5.79 0.00 1.73 1.71 0.00 3.15 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 97 T 8.39 4.81 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 0.51 0.00 0.00 98 I 8.85 4.44 1.66 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 0.51 0.64 0.08 0.00 0.00 99 F 8.69 4.79 0.00 2.92 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 0.00 100 F 8.84 4.64 0.00 3.18 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 0.00 101 K 8.75 4.04 0.00 1.75 1.88 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 102 D 9.07 4.48 0.00 2.89 2.76 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 0.00 103 D 8.00 4.47 0.00 2.69 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 0.00 104 G 7.60 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 0.00 0.00 0.00 105 N 8.12 5.70 0.00 2.48 2.75 0.00 0.00 7.28 8.33 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 0.00 106 Y 9.00 5.66 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 9.27 5.06 0.00 1.63 1.67 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.45 7.81 108 T 9.05 5.14 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 0.00 109 R 9.07 5.18 0.00 1.87 1.77 0.00 3.12 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 110 A 9.33 5.30 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 0.00 111 E 9.30 4.85 0.00 1.89 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 2.27 2.25 0.00 112 V 8.44 4.80 1.08 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 0.88 0.00 0.00 1.02 0.00 0.00 113 K 8.39 4.77 0.00 2.11 1.83 0.00 1.37 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.41 7.81 114 F 8.72 4.63 0.00 3.07 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 0.00 115 E 9.36 4.53 0.00 1.94 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 2.23 2.22 0.00 116 G 8.47 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 0.00 117 D 8.80 4.72 0.00 2.71 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 0.00 118 T 7.75 4.75 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 1.28 0.00 0.00 119 L 8.70 4.02 0.00 1.22 1.64 0.37 1.25 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 0.00 120 V 8.63 4.80 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 1.03 0.00 0.00 121 N 9.09 4.94 0.00 2.86 2.78 0.00 0.00 6.97 7.19 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 0.00 122 R 8.92 5.07 0.00 1.81 1.84 0.00 3.13 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 123 I 9.36 5.11 1.94 0.00 0.00 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 1.33 0.86 0.93 0.00 0.00 124 E 9.11 5.12 0.00 1.85 1.77 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 2.17 2.20 0.00 125 L 8.82 5.11 0.00 1.52 1.21 0.51 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.19 4.99 0.00 1.85 1.61 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.45 7.81 127 G 9.31 4.97 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 0.00 128 I 8.49 5.09 1.92 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 1.37 0.78 0.97 0.00 0.00 129 D 8.85 4.71 0.00 2.76 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 0.00 130 F 7.65 4.59 0.00 3.37 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 0.00 131 K 9.43 4.27 0.00 1.82 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.54 7.81 132 E 9.11 4.04 0.00 1.98 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 2.36 2.29 0.00 133 D 7.96 4.92 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.91 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.66 4.36 0.00 2.81 2.89 0.00 0.00 6.88 7.37 0.00 0.00 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 I 6.96 3.67 1.67 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 0.40 -0.13 0.20 0.00 0.00 137 L 7.54 3.83 0.00 1.70 1.59 0.58 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.98 3.72 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 0.00 0.00 0.00 139 H 7.34 3.92 0.00 3.24 3.32 0.00 5.82 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.51 4.56 0.00 1.66 1.81 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.41 7.81 141 L 7.81 4.85 0.00 1.60 1.66 0.87 0.97 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 0.00 142 E 8.79 4.30 0.00 2.10 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 2.40 2.46 0.00 143 Y 8.42 4.55 0.00 3.07 2.94 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 0.00 144 N 7.61 4.82 0.00 2.85 2.82 0.00 0.00 6.08 7.55 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 0.00 145 Y 8.10 4.52 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 N 7.95 4.81 0.00 2.47 2.57 0.00 0.00 6.91 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 0.00 147 S 8.00 5.12 0.00 3.84 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 0.00 148 H 8.98 5.07 0.00 3.07 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.70 5.26 0.00 2.34 1.85 0.00 0.00 6.68 7.68 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 0.00 150 V 8.46 4.15 1.82 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 0.81 0.00 0.00 0.11 0.00 0.00 151 Y 8.85 4.94 0.00 3.17 2.93 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 0.00 152 I 8.83 5.13 1.61 0.00 0.00 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 1.39 1.41 0.88 0.00 0.00 153 M 9.09 5.17 0.00 2.04 2.20 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 2.47 2.66 0.00 154 A 8.65 4.26 1.32 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 0.00 0.00 155 D 8.75 4.71 0.00 2.63 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 0.00 156 K 8.41 4.08 0.00 1.90 1.85 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.53 7.81 157 Q 8.20 4.02 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 158 K 8.00 4.23 0.00 1.93 1.84 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.24 7.81 159 N 7.79 4.34 0.00 2.88 2.92 0.00 0.00 6.82 7.86 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 0.00 160 G 7.87 3.85 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 0.00 0.00 0.00 161 I 8.17 4.98 1.63 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.37 0.40 0.00 0.00 162 K 8.89 5.12 0.00 1.76 1.74 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.21 7.81 163 V 8.83 5.03 2.24 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 1.31 0.00 0.00 1.02 0.00 0.00 164 N 9.40 5.42 0.00 2.74 2.62 0.00 0.00 6.66 7.29 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 0.00 165 F 7.67 5.05 0.00 3.12 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 0.00 166 K 8.81 4.86 0.00 1.88 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 0.99 7.81 167 I 8.52 3.71 1.71 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 1.04 0.99 0.49 0.00 0.00 168 R 8.56 4.65 0.00 1.64 1.84 0.00 3.17 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 169 H 8.92 4.80 0.00 3.20 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.81 4.83 0.00 2.86 2.85 0.00 0.00 7.03 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 0.00 171 I 8.71 4.84 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.07 1.06 0.00 0.00 172 E 8.98 3.98 0.00 2.11 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 0.00 2.46 2.28 0.00 173 D 8.11 4.60 0.00 2.79 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 0.00 174 G 8.60 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 0.00 0.00 0.00 175 S 8.36 4.69 0.00 3.92 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 0.00 176 V 8.12 4.83 2.09 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 0.81 0.00 0.00 0.98 0.00 0.00 177 Q 9.11 4.54 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 178 L 8.57 4.77 0.00 1.61 1.53 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.84 4.61 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 0.00 180 D 8.93 4.53 0.00 2.76 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 0.00 181 H 8.79 4.78 0.00 1.94 2.18 0.00 5.83 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.86 4.57 0.00 3.04 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 0.00 183 Q 9.12 5.19 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 184 Q 9.43 4.96 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.19 0.00 185 N 9.12 6.21 0.00 2.16 2.48 0.00 0.00 6.37 6.40 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 0.00 186 T 8.44 5.01 4.32 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 1.23 0.00 0.00 187 P 0.00 4.92 0.00 2.05 2.09 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 188 I 9.00 4.05 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.95 0.00 0.00 189 G 7.85 4.49 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 0.00 190 D 8.40 4.81 0.00 2.64 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 0.00 191 G 7.84 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 0.00 0.00 0.00 192 P 0.00 4.48 0.00 2.04 1.98 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 193 V 7.92 4.46 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 0.58 0.00 0.00 1.08 0.00 0.00 194 L 8.02 4.23 0.00 1.60 1.67 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 195 L 8.37 4.57 0.00 1.64 1.63 0.94 1.13 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 0.00 196 P 0.00 4.70 0.00 2.34 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 197 D 8.57 4.76 0.00 2.68 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 0.00 198 N 8.82 5.09 0.00 2.66 2.87 0.00 0.00 7.12 8.16 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 0.00 199 H 8.38 4.85 0.00 3.27 3.34 0.00 5.41 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 7.96 5.23 0.00 2.60 2.64 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 0.00 201 L 8.64 4.93 0.00 1.44 1.47 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.10 5.20 0.00 3.94 3.72 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 0.00 203 T 8.85 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 1.11 0.00 0.00 204 Q 8.77 4.87 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 205 S 8.82 5.12 0.00 3.57 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 A 9.21 4.75 1.21 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 0.00 0.00 207 L 8.39 5.08 0.00 0.92 0.93 0.58 0.66 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 0.00 208 S 8.95 4.82 0.00 3.89 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 0.00 209 K 8.56 4.95 0.00 1.61 1.73 0.00 1.26 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.20 1.16 7.81 210 D 8.73 4.75 0.00 2.60 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.20 2.17 0.00 3.78 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 1.97 1.98 0.00 212 N 8.19 4.62 0.00 2.69 2.86 0.00 0.00 6.94 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 0.00 213 E 7.76 4.20 0.00 1.86 1.63 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 1.91 2.34 0.00 214 K 8.44 4.33 0.00 1.76 1.84 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.49 7.81 215 R 8.22 4.22 0.00 1.95 1.94 0.00 3.20 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 216 D 8.62 4.79 0.00 2.87 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 0.00 217 H 8.39 4.92 0.00 3.17 3.16 0.00 5.52 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 7.87 4.45 0.00 1.60 0.83 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 219 V 8.63 4.67 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 0.91 0.00 0.00 0.89 0.00 0.00 220 L 9.01 5.23 0.00 1.90 1.72 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.88 5.10 0.00 1.63 1.37 0.80 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 222 E 9.00 5.21 0.00 1.93 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 2.21 2.12 0.00 223 F 9.08 5.39 0.00 2.90 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 V 9.23 4.99 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 0.88 0.00 0.00 0.93 0.00 0.00 225 T 8.82 5.08 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 1.12 0.00 0.00 226 A 8.59 4.33 0.21 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 0.00 0.00 227 A 8.46 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 9.01 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 0.00 229 I 7.50 4.51 1.72 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.61 0.00 0.00 230 T 8.55 4.59 4.22 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 1.21 0.00 0.00 231 H 8.08 4.50 0.00 3.31 3.34 0.00 5.56 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 * Residues marked with a * may have inaccurate shift predictions.