NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2957 7.8827 121.4483 61.1946 38.7349 173.7819 17 V 4.3478 8.5626 125.6785 61.6573 32.9901 174.3194 18 G 4.0482 8.9802 114.4342 46.4772 0.0000 173.2151 19 G 4.1966 7.7832 110.0489 43.8428 0.0000 172.5987 20 Y 4.9708 7.6409 116.3020 55.0247 42.1141 174.9639 21 T 4.1301 8.5964 117.1495 64.0033 68.3991 175.3343 22 C 4.3601 8.6038 125.2637 60.1187 37.4280 174.9546 23 G 4.1359 8.5734 106.1296 44.0983 0.0000 172.8628 24 A 3.9340 8.5622 125.5305 53.5859 18.6833 176.9849 25 N 4.2637 8.8974 118.8175 54.4664 36.1720 175.3173 26 T 4.1947 7.5427 107.7154 62.7196 69.7963 175.1980 27 V 4.0856 7.0464 122.1706 60.2470 31.3039 173.6522 28 P 4.5553 0.0000 0.0000 63.6124 32.0518 178.0346 29 Y 4.9864 6.6993 115.9155 56.2920 38.8754 174.8091 30 Q 4.5694 7.3384 123.5148 56.4234 29.4258 175.4501 31 V 4.8651 8.9129 118.4694 59.6457 36.4588 174.1189 32 S 4.8655 8.6633 116.6162 56.5640 65.1196 172.5839 33 L 4.6026 8.4030 127.4392 53.2262 43.4073 175.0184 34 N 5.7338 9.0346 122.3977 49.9291 42.1962 174.8596 *37 S 4.3812 8.4059 120.0676 58.3822 64.1344 174.5066 38 G 4.0272 9.8020 108.6206 46.1412 0.0000 172.5227 39 Y 4.5112 6.7186 115.5041 56.3705 40.0540 172.4132 40 H 4.6452 8.7528 121.0906 55.5348 30.5582 174.6756 41 F 4.8403 7.6835 120.0864 57.5365 39.9158 174.1248 42 C 4.7852 6.4532 116.0810 55.6147 45.0541 173.5025 43 G 4.2259 8.4099 108.7934 45.5289 0.0000 172.1315 44 G 4.5638 7.9610 105.3657 46.4523 0.0000 172.5737 45 S 5.5397 8.6205 115.2335 56.4354 66.7958 173.6668 46 L 4.6840 9.0979 127.2938 54.7316 42.5612 177.0545 47 I 4.5405 8.4536 119.1087 60.7892 38.8067 174.3217 48 N 4.6505 7.5057 117.5963 52.2988 39.4764 174.9521 49 S 4.1014 8.5458 111.7400 60.2650 63.3174 174.6032 50 Q 4.5528 9.0746 121.4553 55.3955 30.7858 174.4154 51 W 5.6128 8.3336 117.2844 55.6434 33.5546 174.3652 52 V 5.1916 8.9815 122.4995 61.0691 34.8924 174.3601 53 V 4.9635 8.7332 125.6838 60.4527 33.7003 174.8160 54 S 4.9447 9.0284 117.5786 57.7131 66.0794 171.9146 55 A 4.7189 8.5179 120.2401 50.4891 20.7593 178.2897 56 A 3.8211 8.3471 124.4276 55.4102 18.4231 179.1024 57 H 4.5485 8.3584 108.3965 56.9434 28.5521 175.1581 58 C 4.7804 7.8905 116.9220 56.9368 40.6416 173.4124 59 Y 4.1867 7.7647 122.2019 57.6639 38.8024 175.0060 60 K 3.6924 6.6010 123.2556 56.3102 34.6325 174.1996 61 S 4.2901 8.1338 114.6236 57.5835 65.1034 173.2229 62 G 3.6504 8.2734 105.7106 46.6903 0.0000 173.6922 63 I 4.4717 7.2731 118.7153 59.4105 40.1739 175.8802 64 Q 4.7884 8.7595 127.3847 54.2121 31.8009 174.0966 65 V 4.4175 8.8657 126.9981 61.7437 33.6267 174.5798 65A R 4.9745 8.8955 127.4147 54.7239 32.2595 175.3728 66 L 4.6481 8.9343 124.7261 52.8648 44.6228 177.3132 *69 G 3.9111 8.2072 105.4112 46.3154 0.0000 172.8610 70 E 4.6819 8.4184 118.7433 55.2373 30.4917 174.1801 71 D 4.7234 7.7681 117.0959 55.1637 43.9243 174.0697 72 N 4.9072 8.7290 119.6967 52.8498 39.2651 176.1575 73 I 3.9557 8.3616 119.6704 62.1777 37.8852 176.2191 74 N 4.7968 8.7324 118.1138 53.0165 39.2283 174.7091 75 V 4.3069 7.3805 117.3828 60.7303 34.2877 174.9710 76 V 4.0907 8.4650 126.9334 62.6277 31.0619 175.1135 77 E 4.4101 9.1378 127.0896 55.3473 30.7226 176.8018 78 G 3.9796 8.5917 106.3841 45.9377 0.0000 174.0215 79 N 4.6337 8.9605 116.6997 52.7141 36.8440 174.5652 80 E 5.0140 7.5622 116.8191 55.9635 30.6154 176.4177 81 Q 4.4270 8.6276 120.8051 54.2939 32.8987 173.8180 82 F 5.4969 8.9085 123.0229 55.9992 40.9289 175.2016 83 I 4.7231 8.7369 124.5481 59.4338 41.0821 175.4759 84 S 4.6651 8.6055 121.2942 58.0755 64.3979 173.2523 85 A 4.3766 8.1876 124.8364 52.2193 18.3943 177.6560 86 S 4.4546 9.0957 117.7164 60.3566 63.3791 174.3945 87 K 4.7186 7.5827 116.1675 55.8181 35.6601 174.8100 88 S 5.2358 8.7967 117.2020 56.9486 66.1314 173.8220 89 I 4.4892 9.1500 125.2143 59.4846 39.0966 174.9759 90 V 4.2235 8.3073 127.3021 62.2111 32.6503 175.2033 91 H 3.7940 8.5934 126.6277 56.0708 29.9733 174.4829 92 P 4.3032 0.0000 0.0000 65.3737 31.3902 177.1478 93 S 4.7051 7.8644 112.0169 58.2110 63.0364 173.3276 94 Y 4.2720 8.0433 123.1399 57.6151 39.0185 174.3972 95 N 4.5711 8.0501 125.4598 51.4110 39.7225 175.0805 96 S 3.9030 7.7541 120.0470 59.3552 63.5203 174.9185 97 N 4.4359 8.5275 119.2052 54.9338 38.8290 176.0463 98 T 3.9886 7.7451 105.6516 60.7346 70.0410 174.9964 99 L 3.7955 7.9164 120.9256 55.4305 39.8068 173.9497 100 N 4.4908 7.6756 117.5846 54.5883 39.5525 174.4816 101 N 5.0313 8.6514 119.1280 54.1539 35.9231 175.5900 102 D 4.7275 7.9431 117.5169 53.1028 39.7140 174.8020 103 I 4.8268 7.1916 121.0094 59.3104 42.4395 172.9474 104 M 5.3991 9.1880 126.1731 54.1764 36.3043 173.3451 105 L 5.3806 9.0339 124.2404 53.1339 45.2044 175.3813 106 I 5.0102 9.1479 123.3849 59.4502 40.6077 174.2944 107 K 3.8418 8.7095 128.4031 54.4899 33.8244 175.3950 108 L 4.6002 8.0738 127.3413 53.7798 42.3783 176.9610 109 K 4.0654 8.8494 124.3794 59.1016 32.5270 177.2446 110 S 4.7033 7.7427 112.4709 56.0492 66.7121 173.3648 111 A 4.4301 8.3223 123.6129 52.0001 18.8631 177.3686 112 A 4.4207 8.8029 122.8142 51.6420 20.0678 177.3472 113 S 4.5737 9.0018 116.5225 57.3861 63.6582 174.4749 114 L 4.6867 8.5149 125.4466 54.0033 43.1148 176.4651 115 N 4.7474 8.7556 119.0991 52.5995 39.3258 175.1956 116 S 4.1660 8.7379 110.6763 61.0674 64.0112 175.2631 117 R 4.1815 8.8553 119.9275 56.7345 30.5744 175.8955 118 V 4.3963 7.7446 117.3850 60.8859 33.4191 173.7870 119 A 5.1774 8.6677 128.3261 50.3847 22.9699 174.9922 120 S 5.0119 8.7030 113.8635 57.6679 64.8971 173.2157 121 I 4.4198 8.1213 121.1324 59.3952 39.5443 175.3845 122 S 4.5195 8.2669 122.3120 57.6969 63.9254 173.9926 123 L 4.2848 8.0955 123.1476 53.5103 42.3717 175.2954 124 P 4.5795 0.0000 0.0000 62.8327 32.5649 176.0695 125 T 4.2641 8.1832 107.5889 61.9431 70.2775 174.3042 *127 S 4.8891 7.5813 114.9389 58.2317 64.0116 173.9541 128 C 4.4715 8.4029 118.0149 56.4852 40.8939 173.3101 129 A 4.5144 7.9359 123.9511 51.2675 20.1255 177.2911 130 S 4.3770 8.0273 115.3255 57.1710 64.7071 173.5916 *132 A 4.3224 8.1455 123.9398 53.3808 19.2049 177.2443 133 G 4.0230 9.1092 109.5615 45.5774 0.0000 174.6053 134 T 3.9402 7.6083 116.8537 63.9325 69.5764 173.0647 135 Q 4.6944 8.5211 126.5517 55.3339 30.3979 175.1821 136 C 5.2698 9.2180 122.6224 55.1538 46.7631 172.2836 137 L 5.2055 8.9127 122.6980 53.5649 43.9740 175.0193 138 I 5.2102 8.9885 127.1798 58.7613 40.0344 174.8515 139 S 4.9373 9.0108 119.4965 56.1112 66.6923 173.0824 140 G 3.8598 7.2733 108.9669 45.9510 0.0000 172.6185 141 W 4.6945 8.4375 117.3690 56.2749 29.4809 177.1447 142 G 4.1396 8.2373 108.5547 44.2051 0.0000 173.6128 143 N 3.7812 8.4559 118.1099 54.3316 38.9466 174.5129 144 T 5.1415 8.1251 112.4535 60.5009 69.6047 174.2566 145 K 4.6367 7.9156 121.5068 54.7754 34.7280 176.2510 146 S 4.3591 8.6396 116.8864 59.9066 63.6802 174.3533 147 S 4.4513 7.9611 116.8527 55.7784 62.5408 171.9740 148 G 3.8733 7.8584 110.2312 43.4172 0.0000 170.3948 149 T 4.6087 8.2324 109.4651 59.7711 70.8747 173.7637 150 S 4.5182 9.2585 121.4070 56.7717 65.5394 171.8508 151 Y 4.9383 8.7682 125.2172 55.6600 39.5854 174.3061 152 P 4.7357 0.0000 0.0000 62.3002 33.2069 175.5898 153 D 4.6374 8.7153 117.8152 55.9904 41.5813 177.2331 154 V 5.7846 7.3862 109.7580 58.4284 34.5797 175.7816 155 L 3.0526 8.2405 124.0539 55.1677 42.8733 176.0353 156 K 4.8230 8.1473 124.9610 54.8671 35.2501 174.5553 157 C 5.3020 8.4272 119.3750 55.1998 44.6485 172.9286 158 L 4.9610 8.5260 122.1430 53.7647 45.6564 174.4419 159 K 5.1206 8.9296 124.8716 54.9837 33.8267 175.6230 160 A 4.8597 9.3932 125.9123 49.5488 23.1491 173.4923 161 P 5.0654 0.0000 0.0000 61.7781 34.0069 175.1671 162 I 4.2966 8.3101 122.5535 61.4642 38.1505 176.0290 163 L 4.8156 8.6831 127.3540 53.3242 43.4674 176.6914 164 S 4.4464 8.3857 114.4526 57.9586 64.0901 175.1344 165 D 4.4680 8.6354 121.5052 57.4197 40.5530 179.2429 166 S 4.1463 8.0026 114.6097 61.6079 63.2451 176.6496 167 S 4.1497 8.0565 118.5268 61.0982 62.5259 175.8158 168 C 4.2888 8.2455 121.2849 59.8622 39.9819 175.9565 169 K 3.9625 8.3385 119.9727 59.4541 31.3264 179.5865 170 S 4.1528 7.8247 114.6590 61.1780 62.7759 176.0760 171 A 4.0175 7.6606 122.8185 53.6777 19.8012 177.4144 172 Y 4.9507 7.8003 113.7411 55.5759 38.1838 173.6476 173 P 4.6882 0.0000 0.0000 63.5734 32.1942 178.0122 174 G 3.9914 8.9999 108.9161 46.0341 0.0000 173.6560 175 Q 4.5272 8.1709 116.6489 55.4414 30.2163 175.3451 176 I 4.3970 7.8463 119.9063 60.0901 38.1890 175.4941 177 T 4.5413 8.2244 115.9086 59.8344 70.9260 175.0042 178 S 4.4628 8.5393 113.9830 59.8285 63.2168 173.9672 179 N 5.1076 8.2191 118.4300 53.5087 39.5217 174.0144 180 M 5.6064 7.9896 117.4617 54.0027 36.4257 174.4158 181 F 5.0627 8.6474 114.1996 56.1644 41.9392 172.4013 182 C 5.8555 9.3025 116.2558 54.9380 42.5571 172.7043 183 A 5.0339 8.9756 121.8680 50.9370 22.4642 176.6846 184 G 3.9350 6.8089 106.9238 44.6940 0.0000 171.8963 184A Y 4.6281 8.2530 118.8565 55.9863 40.6210 176.5723 185 L 4.1834 8.6247 125.5949 57.2677 42.0200 178.8697 186 E 4.0846 8.1985 115.2710 57.1738 29.9987 177.2933 187 G 3.7639 7.6978 107.1876 44.9882 0.0000 171.4969 188 G 4.2686 8.9130 106.8700 44.6239 0.0000 174.2812 188A K 4.8104 7.2182 117.3264 54.6287 35.1465 175.3538 189 D 4.6327 8.8655 123.2829 54.0123 45.6933 174.6205 190 S 4.9670 8.7406 116.3634 57.8406 65.4658 173.0179 191 C 4.7302 9.2444 118.8792 55.2773 47.6447 172.1530 192 Q 4.3607 8.6590 121.0596 58.1075 28.7406 176.4969 193 G 4.2851 8.6634 112.1479 46.1091 0.0000 174.4547 194 D 4.6420 8.5455 118.6248 55.8172 41.5678 176.5500 195 S 4.2868 7.9675 114.6510 60.0008 63.4622 175.3108 196 G 3.9335 8.9500 113.6519 46.3854 0.0000 173.6516 197 G 4.5472 7.9861 107.4687 44.7225 0.0000 171.1239 198 P 5.2569 0.0000 0.0000 62.1933 33.6895 175.7223 199 V 4.5790 8.3762 120.9162 61.4681 34.3334 174.0251 200 V 4.8949 8.6872 128.6547 61.2964 34.0944 173.7740 201 C 5.0955 8.7982 124.1883 55.7986 44.1434 174.5703 202 S 3.5979 9.7471 119.9660 59.7348 60.1263 173.0009 203 G 3.9264 8.3007 103.2044 45.8844 0.0000 173.6041 204 K 4.6774 7.6872 117.8608 52.9663 35.1696 175.4881 *209 L 4.2496 8.2772 122.7307 55.4314 42.3333 175.8085 210 Q 4.5214 8.8481 125.9461 56.6524 30.9656 175.8069 211 G 5.3618 8.0476 104.3628 45.6238 0.0000 171.3542 212 I 5.0668 8.1466 119.1617 58.9342 41.2709 175.3943 213 V 3.7315 8.8032 127.2503 63.7924 31.7786 174.0555 214 S 4.9081 8.5437 121.1124 58.4983 64.4544 174.3576 215 W 5.1068 7.5919 113.8154 55.5036 32.2750 172.5950 216 G 3.9666 8.3595 106.2537 46.5614 0.0000 173.3717 217 S 4.6718 8.5372 116.8805 56.9897 62.9033 173.8713 *219 G 4.1419 7.9837 115.5398 45.5790 0.0000 170.9073 220 C 4.9556 8.1021 114.8868 56.4651 45.2212 173.8287 221 A 3.9993 9.1700 125.6413 53.2087 16.5772 177.0097 221A Q 4.6069 7.2750 116.6352 55.9006 30.0895 175.9107 222 K 4.1126 8.4407 121.7502 58.0353 32.6922 176.1028 223 N 4.2310 9.2692 121.3356 54.0326 37.1188 175.3087 224 K 4.2617 7.4769 116.8186 53.5532 32.1513 173.3706 225 P 4.5664 0.0000 0.0000 62.5016 33.0858 177.2019 226 G 3.7663 8.4315 105.8210 45.5829 0.0000 172.9049 227 V 4.4340 7.3421 120.7812 60.6796 34.2746 174.0924 228 Y 4.8931 8.1325 124.4037 56.0422 41.9399 174.9501 229 T 4.5059 8.3856 119.2981 63.4606 70.0932 174.5764 230 K 5.1289 9.3004 128.2717 55.3537 31.2333 177.1952 231 V 3.9642 8.8197 126.0751 65.8137 31.4122 174.8262 232 C 4.3785 8.3651 112.6128 58.1414 41.4621 174.7224 233 N 4.3148 8.0655 117.1231 54.1593 38.6135 175.0101 234 Y 4.8103 7.9702 117.9315 57.6029 39.1373 177.6447 235 V 3.6879 8.0370 121.7425 66.3703 31.5253 178.1601 236 S 4.1290 8.1039 114.4147 61.1190 62.6180 176.3468 237 W 4.1430 8.2437 130.6092 60.5212 30.5476 177.7514 238 I 3.1448 8.2539 120.0110 64.3417 36.5538 178.5252 239 K 3.7443 8.0899 119.1679 59.5896 31.8744 179.5266 240 Q 3.8739 8.1892 118.4829 59.0897 28.3765 178.9079 241 T 3.5639 7.3377 116.0496 66.4753 68.6561 176.5687 242 I 2.8140 7.2271 121.5272 63.9820 36.7927 178.4300 243 A 4.0292 7.7764 120.6180 54.2332 18.1992 178.7361 244 S 4.6184 7.3567 109.7440 58.3491 63.5919 174.1102 245 N 4.6828 7.9416 125.1731 53.8280 39.2235 174.0084 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 16 I 7.88 4.30 1.79 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 1.38 0.64 0.89 0.00 0.00 17 V 8.56 4.35 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 1.02 0.00 0.00 0.95 0.00 0.00 18 G 8.98 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 19 G 7.78 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 0.00 0.00 0.00 0.00 20 Y 7.64 4.97 0.00 2.94 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 21 T 8.60 4.13 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 1.25 0.00 0.00 22 C 8.60 4.36 0.00 2.76 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 23 G 8.57 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 0.00 0.00 0.00 24 A 8.56 3.93 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 25 N 8.90 4.26 0.00 2.87 2.91 0.00 0.00 7.31 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 26 T 7.54 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 27 V 7.05 4.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.56 0.00 2.39 2.39 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 29 Y 6.70 4.99 0.00 3.16 3.40 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 30 Q 7.34 4.57 0.00 1.80 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.52 0.00 0.00 0.00 0.00 0.00 1.94 2.51 0.00 31 V 8.91 4.87 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 0.79 0.00 0.00 0.97 0.00 0.00 32 S 8.66 4.87 0.00 3.03 3.29 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 33 L 8.40 4.60 0.00 0.49 0.92 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.03 5.73 0.00 2.37 2.42 0.00 0.00 6.52 7.08 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 *37 S 8.41 4.38 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 9.80 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 6.72 4.51 0.00 3.03 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 40 H 8.75 4.65 0.00 2.82 3.14 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 41 F 7.68 4.84 0.00 3.14 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 42 C 6.45 4.79 0.00 2.38 2.89 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 43 G 8.41 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 44 G 7.96 4.56 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 0.00 45 S 8.62 5.54 0.00 3.84 3.82 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 46 L 9.10 4.68 0.00 1.88 1.67 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.45 4.54 1.89 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 1.56 0.91 1.01 0.00 0.00 48 N 7.51 4.65 0.00 2.99 2.99 0.00 0.00 6.11 7.65 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 49 S 8.55 4.10 0.00 4.05 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 50 Q 9.07 4.55 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 51 W 8.33 5.61 0.00 3.25 2.99 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 52 V 8.98 5.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.98 0.00 0.00 53 V 8.73 4.96 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 0.78 0.00 0.00 1.01 0.00 0.00 54 S 9.03 4.94 0.00 3.88 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 55 A 8.52 4.72 1.25 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 0.00 0.00 56 A 8.35 3.82 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.36 4.55 0.00 3.35 3.51 0.00 5.55 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 58 C 7.89 4.78 0.00 3.22 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.76 4.19 0.00 2.98 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 60 K 6.60 3.69 0.00 1.49 1.33 0.00 0.65 0.00 0.00 1.28 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.62 0.93 7.81 61 S 8.13 4.29 0.00 3.93 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 62 G 8.27 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 63 I 7.27 4.47 1.85 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 1.36 1.22 0.92 0.00 0.00 64 Q 8.76 4.79 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 65 V 8.87 4.42 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 0.92 0.00 0.00 0.89 0.00 0.00 65A R 8.90 4.97 0.00 1.60 1.67 0.00 2.64 0.00 0.00 2.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.13 0.00 66 L 8.93 4.65 0.00 1.64 1.63 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *69 G 8.21 3.91 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 0.00 0.00 0.00 70 E 8.42 4.68 0.00 2.14 1.94 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 2.34 2.06 0.00 71 D 7.77 4.72 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.73 4.91 0.00 2.85 2.80 0.00 0.00 7.22 7.88 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 73 I 8.36 3.96 1.42 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 -0.46 0.00 0.00 74 N 8.73 4.80 0.00 2.81 2.88 0.00 0.00 6.63 7.81 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 75 V 7.38 4.31 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 0.73 0.00 0.00 0.95 0.00 0.00 76 V 8.47 4.09 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 0.71 0.00 0.00 0.94 0.00 0.00 77 E 9.14 4.41 0.00 1.99 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 2.27 2.45 0.00 78 G 8.59 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 0.00 0.00 0.00 79 N 8.96 4.63 0.00 2.92 3.15 0.00 0.00 6.93 7.67 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 80 E 7.56 5.01 0.00 1.54 1.66 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 2.63 2.31 0.00 81 Q 8.63 4.43 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 82 F 8.91 5.50 0.00 2.77 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 83 I 8.74 4.72 1.87 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 1.25 0.70 0.95 0.00 0.00 84 S 8.61 4.67 0.00 3.75 3.74 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 85 A 8.19 4.38 1.25 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 0.00 0.00 86 S 9.10 4.45 0.00 3.80 3.74 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 87 K 7.58 4.72 0.00 1.87 1.84 0.00 1.58 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.38 7.81 88 S 8.80 5.24 0.00 4.10 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 89 I 9.15 4.49 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.28 1.09 0.00 0.00 90 V 8.31 4.22 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 0.60 0.00 0.00 0.74 0.00 0.00 91 H 8.59 3.79 0.00 2.88 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.30 0.00 2.05 2.12 0.00 3.04 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 93 S 7.86 4.71 0.00 3.90 3.87 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 94 Y 8.04 4.27 0.00 2.93 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 95 N 8.05 4.57 0.00 2.60 2.45 0.00 0.00 6.56 6.87 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 96 S 7.75 3.90 0.00 3.94 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 97 N 8.53 4.44 0.00 2.69 2.78 0.00 0.00 6.77 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 98 T 7.75 3.99 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 1.14 0.00 0.00 99 L 7.92 3.80 0.00 1.47 1.90 0.74 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.68 4.49 0.00 2.73 2.64 0.00 0.00 7.25 7.44 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 0.00 101 N 8.65 5.03 0.00 3.04 2.61 0.00 0.00 7.22 8.31 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 0.00 102 D 7.94 4.73 0.00 3.08 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 0.00 103 I 7.19 4.83 1.48 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.22 0.23 0.00 0.00 104 M 9.19 5.40 0.00 2.12 1.83 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.65 0.00 105 L 9.03 5.38 0.00 1.79 1.81 0.24 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.15 5.01 1.92 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 1.20 1.11 0.89 0.00 0.00 107 K 8.71 3.84 0.00 0.79 1.11 0.00 1.30 0.00 0.00 1.33 0.00 0.00 2.59 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.63 0.21 7.81 108 L 8.07 4.60 0.00 1.49 1.54 0.97 0.69 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 0.00 109 K 8.85 4.07 0.00 1.78 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.38 7.81 110 S 7.74 4.70 0.00 3.82 3.67 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 0.00 111 A 8.32 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.80 4.42 1.28 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 0.00 0.00 0.00 113 S 9.00 4.57 0.00 3.75 3.82 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 0.00 114 L 8.51 4.69 0.00 1.66 1.62 0.96 1.07 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 0.00 115 N 8.76 4.75 0.00 2.88 2.88 0.00 0.00 6.72 7.40 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 0.00 116 S 8.74 4.17 0.00 4.02 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 0.00 117 R 8.86 4.18 0.00 2.02 2.02 0.00 3.12 0.00 0.00 3.10 7.38 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.58 4.89 0.00 4.00 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 0.00 128 C 8.40 4.47 0.00 2.94 2.99 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 0.00 129 A 7.94 4.51 1.09 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 0.00 0.00 130 S 8.03 4.38 0.00 3.84 3.74 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 *132 A 8.15 4.32 1.23 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 0.00 133 G 9.11 4.02 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 0.00 0.00 0.00 134 T 7.61 3.94 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 1.14 0.00 0.00 135 Q 8.52 4.69 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 136 C 9.22 5.27 0.00 2.79 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 0.00 137 L 8.91 5.21 0.00 1.77 1.57 1.05 1.06 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 0.00 138 I 8.99 5.21 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.59 0.96 0.00 0.00 139 S 9.01 4.94 0.00 3.49 3.58 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 0.00 140 G 7.27 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 0.00 141 W 8.44 4.69 0.00 3.12 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 0.00 142 G 8.24 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 0.00 0.00 0.00 143 N 8.46 3.78 0.00 2.25 2.63 0.00 0.00 7.02 7.91 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 0.00 144 T 8.13 5.14 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 1.26 0.00 0.00 145 K 7.92 4.64 0.00 1.82 1.70 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.30 1.33 7.81 146 S 8.64 4.36 0.00 4.01 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 0.00 147 S 7.96 4.45 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 G 7.86 3.87 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 0.00 0.00 0.00 149 T 8.23 4.61 4.38 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 1.28 0.00 0.00 150 S 9.26 4.52 0.00 3.79 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 0.00 151 Y 8.77 4.94 0.00 2.97 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 0.00 152 P 0.00 4.74 0.00 2.44 2.10 0.00 4.19 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 2.18 2.04 0.00 153 D 8.72 4.64 0.00 2.80 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 0.00 154 V 7.39 5.78 2.30 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 0.59 0.00 0.00 0.97 0.00 0.00 155 L 8.24 3.05 0.00 1.42 1.26 -0.80 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.15 4.82 0.00 1.68 1.49 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 157 C 8.43 5.30 0.00 1.58 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 0.00 0.00 0.00 0.00 158 L 8.53 4.96 0.00 1.71 1.44 1.02 0.86 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 0.00 159 K 8.93 5.12 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 A 9.39 4.86 1.17 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 0.00 0.00 161 P 0.00 5.07 0.00 2.03 2.27 0.00 3.17 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 162 I 8.31 4.30 1.87 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.36 0.76 0.00 0.00 163 L 8.68 4.82 0.00 1.55 1.61 0.92 1.06 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 0.00 164 S 8.39 4.45 0.00 4.01 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 0.00 165 D 8.64 4.47 0.00 2.77 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 0.00 166 S 8.00 4.15 0.00 4.05 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 0.00 167 S 8.06 4.15 0.00 3.94 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 0.00 168 C 8.25 4.29 0.00 3.20 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 K 8.34 3.96 0.00 1.96 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.65 7.81 170 S 7.82 4.15 0.00 4.05 3.91 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 0.00 171 A 7.66 4.02 1.10 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 0.00 0.00 172 Y 7.80 4.95 0.00 3.10 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 0.00 173 P 0.00 4.69 0.00 2.21 2.10 0.00 3.61 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 174 G 9.00 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 0.00 0.00 0.00 175 Q 8.17 4.53 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.55 0.00 176 I 7.85 4.40 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.95 1.00 0.00 0.00 177 T 8.22 4.54 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 178 S 8.54 4.46 0.00 4.01 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 0.00 179 N 8.22 5.11 0.00 2.98 3.09 0.00 0.00 6.67 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 0.00 180 M 7.99 5.61 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 181 F 8.65 5.06 0.00 2.99 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 0.00 182 C 9.30 5.86 0.00 2.98 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 0.00 183 A 8.98 5.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 G 6.81 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 184A Y 8.25 4.63 0.00 2.99 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 0.00 185 L 8.62 4.18 0.00 1.73 1.72 0.92 0.86 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 0.00 186 E 8.20 4.08 0.00 2.10 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 0.00 2.33 2.26 0.00 187 G 7.70 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 0.00 188 G 8.91 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 188A K 7.22 4.81 0.00 1.42 1.64 0.00 0.83 0.00 0.00 1.38 0.00 0.00 2.41 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.18 1.10 7.81 189 D 8.87 4.63 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 S 8.74 4.97 0.00 4.01 4.02 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 0.00 191 C 9.24 4.73 0.00 2.95 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 0.00 192 Q 8.66 4.36 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 5.41 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 193 G 8.66 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 0.00 0.00 0.00 0.00 194 D 8.55 4.64 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 7.97 4.29 0.00 3.95 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 G 8.95 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 0.00 197 G 7.99 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 0.00 0.00 0.00 0.00 198 P 0.00 5.26 0.00 2.30 2.33 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 199 V 8.38 4.58 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.64 0.00 0.00 200 V 8.69 4.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.68 0.00 0.00 201 C 8.80 5.10 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.75 3.60 0.00 3.92 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 0.00 203 G 8.30 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 0.00 204 K 7.69 4.68 0.00 1.70 1.64 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.40 7.81 *209 L 8.28 4.25 0.00 1.51 1.64 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.85 4.52 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.35 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 211 G 8.05 5.36 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 0.00 212 I 8.15 5.07 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 1.30 0.74 1.01 0.00 0.00 213 V 8.80 3.73 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 0.99 0.00 0.00 1.21 0.00 0.00 214 S 8.54 4.91 0.00 3.89 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 0.00 215 W 7.59 5.11 0.00 3.39 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 0.00 216 G 8.36 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 0.00 217 S 8.54 4.67 0.00 4.16 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 *219 G 7.98 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 0.00 0.00 0.00 220 C 8.10 4.96 0.00 2.95 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 0.00 221 A 9.17 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A Q 7.27 4.61 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 222 K 8.44 4.11 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.57 7.81 223 N 9.27 4.23 0.00 2.80 2.79 0.00 0.00 6.76 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 0.00 224 K 7.48 4.26 0.00 1.66 1.80 0.00 1.67 0.00 0.00 1.31 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 225 P 0.00 4.57 0.00 2.13 2.11 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 226 G 8.43 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 0.00 0.00 0.00 227 V 7.34 4.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 -0.68 0.00 0.00 228 Y 8.13 4.89 0.00 1.43 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.39 4.51 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 1.22 0.00 0.00 230 K 9.30 5.13 0.00 2.10 1.91 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.69 7.81 231 V 8.82 3.96 2.36 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 1.14 0.00 0.00 1.15 0.00 0.00 232 C 8.37 4.38 0.00 3.17 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 0.00 233 N 8.07 4.31 0.00 2.36 2.43 0.00 0.00 6.91 7.76 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 0.00 234 Y 7.97 4.81 0.00 3.09 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 0.00 235 V 8.04 3.69 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 1.12 0.00 0.00 1.11 0.00 0.00 236 S 8.10 4.13 0.00 3.97 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 0.00 237 W 8.24 4.14 0.00 3.49 3.61 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 0.00 238 I 8.25 3.14 2.01 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 1.61 0.93 0.74 0.00 0.00 239 K 8.09 3.74 0.00 1.72 1.77 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.59 7.81 240 Q 8.19 3.87 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 241 T 7.34 3.56 3.50 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 0.76 0.00 0.00 242 I 7.23 2.81 1.43 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.26 0.45 0.00 0.00 243 A 7.78 4.03 1.28 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 0.00 0.00 0.00 244 S 7.36 4.62 0.00 4.01 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 0.00 245 N 7.94 4.68 0.00 3.05 3.05 0.00 0.00 6.77 8.55 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 * Residues marked with a * may have inaccurate shift predictions.