NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 V 4.0950 7.9127 120.3803 62.6602 32.9293 173.6527 17 V 4.1815 8.8636 127.3199 61.8055 32.7912 174.6814 18 G 3.8773 8.9001 114.7670 45.8713 0.0000 173.3819 19 G 3.9809 7.4262 109.5816 44.1346 0.0000 172.6320 20 E 4.6727 7.7795 116.8857 54.1883 33.7647 174.8288 21 D 5.0254 8.6006 120.0822 54.4935 41.3479 176.5546 22 A 4.9426 8.9206 125.4111 51.6907 19.9498 176.8477 23 K 4.5536 8.9209 118.4940 53.8760 33.9242 175.0131 24 P 4.1192 0.0000 0.0000 64.5818 31.5272 176.9789 25 G 3.8656 9.0890 109.7420 45.8048 0.0000 174.1682 26 Q 3.5556 8.0764 121.7488 57.9597 29.5209 176.3414 27 F 3.5051 7.1380 115.6568 53.9440 39.2233 173.5149 28 P 4.3033 0.0000 0.0000 64.3269 31.7941 178.6999 29 W 5.1793 6.4835 114.6158 56.3223 29.0035 175.4233 30 Q 4.9433 7.6878 122.0829 56.2659 29.2917 175.3569 31 V 5.0427 8.9260 118.6030 59.6422 36.5138 174.7003 32 V 4.7547 8.3293 121.2884 59.9711 34.5698 174.3363 33 L 5.2029 8.4076 121.9598 53.1104 44.2430 175.2304 34 N 5.4326 9.0023 121.1332 50.8168 41.9622 172.9859 35 G 3.9416 8.7498 112.9593 45.8723 0.0000 175.9249 36 K 3.8344 8.6665 126.0509 58.7602 32.4232 176.4608 *38 V 4.6661 7.4151 116.5799 62.6940 32.3429 173.9234 39 D 4.8778 8.6625 125.7965 54.8899 41.7718 175.7929 40 A 3.8267 8.5782 123.3805 53.2656 16.0974 178.1024 41 F 4.6087 8.2642 115.3627 60.4112 39.1057 174.7952 42 C 4.9800 6.6343 115.3434 57.3648 44.8381 172.2739 43 G 4.6038 8.7435 108.2377 45.4417 0.0000 171.7481 44 G 4.5090 8.2190 105.0871 46.4720 0.0000 172.6402 45 S 5.5217 8.7154 114.6619 56.6876 67.6319 174.0349 46 I 4.4277 8.7178 124.6643 61.4303 37.4559 177.1377 47 V 3.6637 9.0214 128.4964 65.1249 32.1173 175.0309 48 N 4.9022 7.7592 114.0606 52.0414 39.6327 173.9595 49 E 3.9982 9.0328 116.4055 59.3170 29.6638 178.7604 50 K 4.4409 8.7533 115.5465 55.7481 33.2806 175.4384 51 W 5.5674 8.2242 118.7674 54.8425 33.5451 174.2520 52 I 5.2010 9.1614 123.9882 59.5133 40.4837 174.6523 53 V 4.8511 8.9362 126.4777 60.7611 34.0455 175.0611 54 T 4.9628 9.2187 117.6794 61.4072 71.2558 171.1699 55 A 4.7283 8.4600 122.5903 50.4659 20.6651 178.1349 56 A 3.7765 8.4501 126.1479 55.3641 18.3611 179.0457 57 H 4.8321 8.0505 108.8986 57.1592 28.7169 175.7668 58 C 4.6673 7.9200 117.5598 58.8012 40.6960 174.0150 59 V 4.6215 7.4146 112.5522 60.8731 31.9196 176.7459 60 E 4.2266 8.4307 121.8755 59.8258 30.1611 179.5747 61 T 4.0449 8.0857 106.8201 61.9849 68.9373 174.6740 61A G 3.9517 7.8418 108.0544 46.3508 0.0000 173.7569 61B V 3.7977 7.3026 112.0388 60.3440 32.1369 175.8484 62 K 4.0752 8.3422 122.2973 56.9859 32.4957 175.8127 63 I 5.0377 8.1291 124.9530 60.0381 41.9043 174.0888 64 T 4.8614 9.4573 120.9612 61.7733 72.5388 173.0956 65 V 4.7313 8.7292 123.8896 61.0926 34.7974 174.3382 65A V 4.7249 8.6753 127.5092 61.2977 33.6353 174.4884 66 A 5.1221 8.3809 130.4061 49.0696 21.8588 177.1454 66 G 4.7621 8.4709 115.4061 41.6696 0.0000 174.2454 70 E 4.6871 8.2353 119.4693 55.1479 31.0742 174.0334 71 H 5.0061 8.7918 122.7350 57.1515 32.6907 172.4790 72 N 5.4427 8.6543 124.5587 51.4652 38.9395 175.1040 73 I 3.7133 8.7265 120.7333 62.3465 37.5566 176.5363 74 E 4.5219 8.4711 118.0842 55.9694 29.8033 174.6555 75 E 4.7219 8.0400 118.4445 55.0067 33.0286 174.8323 76 T 4.6223 8.2224 115.5170 62.3614 70.3074 174.1992 77 E 4.1951 9.9932 126.8379 56.0817 30.3400 176.8143 78 H 4.1535 8.2358 114.2487 56.5019 25.8974 174.9985 79 T 4.4623 7.4809 108.1988 61.3927 69.7423 174.5003 80 E 4.3940 8.0873 122.4926 56.6266 30.4215 176.3210 81 Q 4.4990 8.8119 121.9116 54.2351 31.5912 174.7377 82 K 4.8743 8.6601 123.6939 55.1889 33.9929 176.3826 83 R 4.7353 8.8429 121.5737 54.8417 35.1446 173.8802 84 N 5.0012 8.8648 118.6117 52.2280 40.9018 174.4297 85 V 4.4959 7.9251 123.0639 62.1294 31.8615 175.6310 86 I 4.3726 8.3288 121.1643 61.0845 39.0167 175.7733 87 R 4.6905 7.5423 123.0742 55.1875 33.6466 173.2619 88 I 4.9420 8.5082 126.1111 59.7769 40.3483 175.2676 89 I 4.6519 9.1937 129.2292 58.8059 38.2934 173.5527 90 P 4.9731 0.0000 0.0000 61.8786 32.9183 175.8390 91 H 3.5130 8.5568 120.9424 56.1064 30.0883 176.0234 92 H 4.1148 8.3380 121.9226 58.2985 28.4370 175.5488 93 N 4.6945 7.7449 115.1711 52.5359 39.0656 174.2053 94 F 4.6145 8.0532 122.4207 59.5239 39.9915 174.4176 95 N 3.7615 8.1909 123.2243 53.9999 35.5181 176.2115 96 A 3.7305 7.8138 123.4948 53.9199 18.4139 178.3058 97 A 4.4420 7.1815 116.3867 49.7963 20.1792 175.1952 98 I 3.6054 8.2616 121.7032 63.7270 38.2133 175.0152 98A N 3.6948 7.8858 122.6762 54.4086 36.4461 175.1730 98B T 3.9314 6.8419 107.8125 60.9584 69.9375 175.4799 99 Y 3.8448 7.2835 117.4017 58.2662 35.6986 169.1098 100 N 4.4663 7.5194 117.6789 54.8924 39.4920 174.0933 101 H 3.9953 8.5706 119.5560 56.7887 25.9866 175.7128 102 D 4.5396 8.0225 119.6294 52.8844 39.5595 174.3814 103 I 4.7699 7.2084 120.9246 59.3843 42.1247 172.5709 104 A 5.3925 9.4965 128.1827 50.9749 23.2887 174.9311 105 L 5.4174 9.1504 118.7585 52.9859 45.5290 175.8149 106 L 5.2401 9.5882 122.2744 53.0026 45.2360 174.9939 107 E 3.6205 8.6293 125.0751 54.2798 31.2254 174.9276 108 L 4.8689 7.7666 126.7884 53.8307 42.6749 176.7419 109 D 4.4734 8.9159 122.9898 56.0394 39.7067 176.6711 110 E 4.6935 7.8263 117.2407 52.6033 32.7197 173.8464 111 P 4.5940 0.0000 0.0000 63.1392 31.8821 176.0617 112 L 4.3554 8.5154 122.0703 54.7590 42.7773 176.8205 113 V 4.1996 8.6332 122.6672 61.1235 32.1597 175.8299 114 L 4.4298 8.5149 129.1381 55.0163 42.5151 176.6175 115 N 4.7972 8.4681 118.7554 52.5902 39.5955 174.9138 116 S 4.0028 8.6552 112.9961 61.3801 62.8494 174.4832 117 Y 4.5390 8.4398 115.9946 57.6307 38.9482 176.3120 118 V 4.5406 7.7732 119.5943 60.8122 32.2881 172.8992 119 T 5.0155 8.5511 120.9675 60.4664 72.4417 171.9015 120 P 5.1003 0.0000 0.0000 62.7402 32.5486 175.0853 121 I 4.1158 8.2521 121.3620 59.5371 39.7211 175.0102 122 C 4.2922 7.5961 125.2670 59.3899 29.5321 173.2528 123 I 4.7276 8.1753 121.7276 59.5936 39.1675 175.4429 124 A 4.5074 8.8799 128.9773 50.8243 19.7995 176.2002 125 D 4.7025 8.2497 119.7466 52.5582 41.7977 177.0245 126 K 3.7802 8.5257 119.3046 59.7795 32.1091 177.7758 126A E 3.7133 8.0585 118.6538 59.7091 29.6149 178.3314 126B Y 3.1728 9.4887 117.4286 60.6766 37.8400 178.2364 127 T 3.8401 8.0749 117.3074 66.6735 68.6988 176.1920 128 N 4.2348 7.8901 118.5215 56.2972 38.6446 177.1510 129 I 3.3724 6.7064 120.5413 64.0778 37.3905 177.9846 130 F 3.5229 7.7086 118.9800 60.0122 38.6291 177.4615 131 L 3.8343 7.8201 120.0441 58.0054 41.7145 178.8110 132 K 4.1060 7.4199 115.2637 57.8777 31.9720 178.7100 133 F 4.7428 7.7035 118.6124 58.7400 39.0165 176.3952 134 G 3.9035 9.0147 106.3298 45.0956 0.0000 172.4768 135 S 4.7035 7.7678 113.6838 56.6132 65.2554 173.0355 136 G 4.2694 8.6535 113.2063 45.3357 0.0000 170.2727 137 Y 5.3324 9.2824 117.2138 56.1288 41.1260 175.8017 138 V 5.3602 9.1721 115.9634 58.9883 35.3469 174.8209 139 S 4.8639 8.5373 116.4947 56.3853 66.5016 173.1096 140 G 3.8932 7.2207 109.1520 45.9722 0.0000 172.3965 141 W 4.8118 8.0483 116.7788 56.5704 30.4573 177.6779 142 G 4.1434 8.3065 109.2721 45.7628 0.0000 174.0544 143 R 4.4289 8.5069 119.3931 56.6573 30.0098 177.8284 144 V 4.6481 8.3713 114.1905 60.6803 33.2401 175.5613 145 F 4.8881 7.5004 116.3059 55.7762 42.8923 173.3921 143 H 4.8189 8.6969 117.0931 55.6573 28.1098 175.6284 144 K 4.8481 8.6313 115.3905 54.6803 33.4401 175.8613 145 G 4.2281 7.5304 104.8059 43.1762 0.0000 172.4921 150 R 4.5640 8.1116 118.5066 54.4974 32.3465 176.1531 151 A 4.4207 8.6865 120.6627 53.0204 18.9823 177.3363 152 A 4.3787 8.4013 122.1036 51.4651 19.3027 178.1638 153 L 4.2255 8.8554 121.9291 57.0544 43.1154 177.1186 154 V 4.8493 7.6851 117.8793 60.5703 33.2392 175.4928 155 L 2.8032 8.5860 129.5009 55.8584 42.9272 175.8656 156 Q 5.2588 8.1092 123.5274 54.4259 32.4322 174.0428 157 Y 5.2647 8.3127 118.1734 55.8682 41.9416 173.5699 158 L 4.8694 9.1389 121.8880 53.8742 46.3160 174.0850 159 R 4.3686 8.5893 125.3744 54.9380 31.3075 175.6378 160 V 4.3626 8.4413 119.8196 58.6378 35.3229 173.5101 161 P 4.5293 0.0000 0.0000 62.2161 32.6976 175.5683 162 L 4.2775 8.4471 124.6143 55.1733 42.9056 176.0440 163 V 4.2371 7.8390 124.2655 60.5067 33.6830 175.0471 164 D 4.3775 8.6309 126.6523 54.4956 41.9694 176.9556 165 R 3.8716 8.7611 124.6059 59.6577 30.1920 178.7144 166 A 4.0000 8.6099 120.7842 55.5881 18.1217 179.7861 167 T 3.8831 7.7656 112.8647 66.5974 68.8581 177.0083 168 C 4.3931 7.8792 119.9943 59.7509 43.0608 175.5178 169 L 4.0072 8.0528 120.5094 58.0415 41.1133 179.4362 170 R 4.2570 7.8179 114.8298 57.5410 30.1593 177.9699 171 S 4.5706 7.8344 113.4269 58.6239 64.0283 173.8038 172 T 4.7279 6.9772 114.5365 60.3138 70.4667 173.6993 173 K 4.0607 8.3636 125.9911 59.1039 32.4481 178.2666 174 F 4.5619 7.2584 116.5492 57.4280 39.4136 175.0901 175 T 4.1328 8.6176 120.8172 63.5481 68.7901 174.3654 176 I 4.4814 8.4174 127.9731 59.9136 37.8228 175.7160 177 T 4.4132 8.2911 116.3927 60.3526 69.9482 175.2093 178 N 4.6249 8.6406 117.6765 54.4987 37.5167 175.0365 179 N 4.9655 8.2800 116.8690 53.4167 38.8387 173.8274 180 M 5.5959 7.9299 116.8753 54.2277 36.6800 174.1581 181 F 5.0793 8.6677 114.1584 55.9264 42.0108 172.7569 182 C 5.4083 8.9271 116.9667 56.1698 40.2854 172.5069 183 A 5.0046 8.4772 122.0654 49.9963 22.6773 176.4123 184 G 4.5515 7.3766 110.3992 44.9983 0.0000 171.7066 184A F 4.8513 8.2037 117.9066 55.7208 40.8479 176.8012 185 H 4.2726 9.2205 123.1059 59.6959 29.7293 177.4568 186 E 3.7899 8.3288 117.0237 57.3733 29.8814 177.7805 187 G 3.6895 7.4770 105.4825 44.8325 0.0000 172.5113 188 G 3.9596 9.3306 107.1451 44.8948 0.0000 173.7517 188A R 5.2244 7.3312 116.7297 53.6946 33.1115 174.0998 189 D 4.8085 8.3891 122.0585 53.2483 44.8765 174.4890 190 S 4.7735 8.6571 117.2718 58.4634 64.9810 173.1863 191 C 4.6888 9.3045 118.9584 55.4163 46.4053 172.3546 192 Q 4.2142 8.5917 118.4221 58.1872 28.5576 176.8562 193 G 4.1567 9.1909 110.0288 45.7763 0.0000 174.7334 194 D 4.5393 8.5913 118.5384 55.4642 41.5356 176.7120 195 S 4.5123 7.9130 115.7280 60.3030 63.4087 174.8970 196 G 4.3388 8.4766 111.2625 46.6132 0.0000 174.1666 197 G 4.1417 7.8753 106.7387 45.6209 0.0000 171.2263 198 P 5.3197 0.0000 0.0000 62.2294 33.8011 174.2616 199 H 5.2229 9.2916 122.5206 54.9756 31.5590 173.6175 200 V 5.0200 9.0358 119.6478 59.8719 35.2495 174.8686 201 T 4.9126 8.7413 120.2237 61.7488 71.1722 173.0272 202 E 4.4016 9.0806 128.2750 55.5941 30.4405 176.1895 203 V 3.9964 9.2257 129.3694 61.4674 31.9968 174.5648 204 E 3.5974 9.6452 127.3342 57.2188 26.4297 176.0909 205 G 3.9627 8.0441 105.6597 45.4020 0.0000 171.5392 206 T 4.4868 7.8676 117.4069 61.7945 70.8504 173.6184 207 S 4.9396 8.3008 122.6526 57.5380 64.8227 173.2172 208 F 4.7684 8.8990 122.2844 55.2248 42.6368 174.2736 209 L 4.5482 8.8052 125.5232 55.4297 42.1586 176.4685 210 T 4.6989 9.0243 116.1208 61.7014 71.0417 173.7111 211 G 5.0186 7.9300 107.8090 46.7820 0.0000 172.0746 212 I 5.1187 8.1339 120.6447 58.9415 40.4084 175.4099 213 I 3.6786 8.9894 128.9799 62.2977 37.4608 175.4916 214 S 4.4520 7.9313 119.7664 58.7514 64.6194 173.1100 215 W 4.2521 6.7261 113.7963 56.3210 31.7577 172.2602 216 G 3.6577 7.9701 105.0858 46.7749 0.0000 172.4418 217 E 4.6591 8.7995 119.9606 54.6893 30.4456 175.2310 217 E 4.6591 8.7995 119.9606 54.6893 30.4456 175.2310 220 C 4.7749 8.0260 115.3471 57.3197 42.6557 174.6945 221 A 3.6441 8.8875 124.0088 52.5539 17.4567 177.5663 221A M 4.2437 7.4043 116.6957 55.0549 32.5700 175.9893 222 K 4.1591 8.3549 124.4129 57.7363 32.8263 177.1360 223 G 3.8036 8.1891 114.4818 44.9798 0.0000 173.0056 224 K 4.4895 7.0253 117.5916 54.6384 35.0176 174.7722 225 Y 4.8974 7.8535 116.6044 56.1047 42.4321 175.4657 226 G 3.6988 8.9893 109.3883 46.3928 0.0000 172.4719 227 I 4.6829 7.9580 124.3638 59.3028 39.6077 174.4247 228 Y 4.7659 8.2860 123.6232 55.9681 41.9687 175.0228 229 T 4.4752 8.6808 119.6747 63.3400 70.1687 174.4515 230 K 4.6038 9.1190 127.8266 55.7090 31.8350 177.1437 231 V 3.9174 8.4417 126.1928 66.1485 31.5440 177.4228 232 S 4.3035 8.3804 113.3099 61.8823 62.2114 176.5186 233 R 3.9102 7.8232 119.5134 57.6516 29.9387 177.2371 234 Y 4.7924 8.1183 115.3293 57.2885 38.9515 177.2666 235 V 3.7546 7.5378 121.0658 66.4635 31.6266 177.8103 236 N 4.4308 8.2215 115.5610 56.0032 38.3624 177.0916 237 W 4.2372 8.3762 129.4216 60.3939 30.8990 177.9053 238 I 3.2396 8.3288 119.9937 64.3589 36.4163 178.4864 239 K 3.8293 7.6278 117.4784 59.5169 31.9350 178.7348 240 E 3.9556 7.8353 118.5581 58.9039 29.6188 178.4554 241 K 3.8783 7.2380 117.1381 57.6280 32.2746 178.1500 242 T 2.7497 6.6032 108.2571 59.7571 69.3835 174.8644 243 K 3.9528 7.2170 120.7010 57.0576 32.6247 176.3059 244 L 4.4998 8.3367 123.1573 54.1028 42.8478 176.7471 245 T 4.1729 8.4466 116.2702 62.1885 67.4596 173.5713 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 V 7.91 4.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.92 0.00 0.00 17 V 8.86 4.18 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 0.92 0.00 0.00 0.94 0.00 0.00 18 G 8.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.43 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 20 E 7.78 4.67 0.00 1.83 1.83 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 1.59 1.47 0.00 21 D 8.60 5.03 0.00 2.64 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 22 A 8.92 4.94 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.92 4.55 0.00 1.76 1.70 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.43 7.81 24 P 0.00 4.12 0.00 2.07 1.93 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 25 G 9.09 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 26 Q 8.08 3.56 0.00 1.79 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 7.14 0.00 0.00 0.00 0.00 0.00 1.16 1.61 0.00 27 F 7.14 3.51 0.00 2.81 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 0.00 0.00 0.00 0.00 28 P 0.00 4.30 0.00 2.19 2.22 0.00 2.20 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 29 W 6.48 5.18 0.00 3.63 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.69 4.94 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.74 0.00 0.00 0.00 0.00 0.00 2.15 2.68 0.00 31 V 8.93 5.04 2.23 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 0.95 0.00 0.00 1.03 0.00 0.00 32 V 8.33 4.75 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 0.48 0.00 0.00 0.68 0.00 0.00 33 L 8.41 5.20 0.00 0.69 1.36 0.76 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.00 5.43 0.00 2.65 2.90 0.00 0.00 6.34 8.50 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 35 G 8.75 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 36 K 8.67 3.83 0.00 1.67 1.62 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.43 1.38 7.81 *38 V 7.42 4.67 2.01 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 0.94 0.00 0.00 0.90 0.00 0.00 39 D 8.66 4.88 0.00 2.72 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 40 A 8.58 3.83 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 41 F 8.26 4.61 0.00 3.10 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 42 C 6.63 4.98 0.00 2.07 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 43 G 8.74 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.72 5.52 0.00 3.87 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 46 I 8.72 4.43 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.73 1.08 0.00 0.00 47 V 9.02 3.66 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 0.78 0.00 0.00 1.03 0.00 0.00 48 N 7.76 4.90 0.00 3.02 2.97 0.00 0.00 6.15 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 49 E 9.03 4.00 0.00 2.14 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 0.00 2.44 2.45 0.00 50 K 8.75 4.44 0.00 1.85 1.49 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.54 7.81 51 W 8.22 5.57 0.00 3.30 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 52 I 9.16 5.20 1.93 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 1.32 0.82 1.05 0.00 0.00 53 V 8.94 4.85 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 0.86 0.00 0.00 1.15 0.00 0.00 54 T 9.22 4.96 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 55 A 8.46 4.73 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 56 A 8.45 3.78 0.33 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 57 H 8.05 4.83 0.00 3.58 3.78 0.00 5.55 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 58 C 7.92 4.67 0.00 3.15 3.28 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 59 V 7.41 4.62 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 60 E 8.43 4.23 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.45 0.00 61 T 8.09 4.04 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 1.22 0.00 0.00 61A G 7.84 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 61B V 7.30 3.80 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 0.71 0.00 0.00 0.85 0.00 0.00 62 K 8.34 4.08 0.00 1.70 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 I 8.13 5.04 1.95 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 1.64 1.05 1.19 0.00 0.00 64 T 9.46 4.86 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 1.24 0.00 0.00 65 V 8.73 4.73 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 1.03 0.00 0.00 0.93 0.00 0.00 65A V 8.68 4.72 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 0.85 0.00 0.00 0.85 0.00 0.00 66 A 8.38 5.12 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 66 G 8.47 4.76 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 70 E 8.24 4.69 0.00 1.78 1.76 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 1.48 1.71 0.00 71 H 8.79 5.01 0.00 3.20 3.46 0.00 5.68 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 72 N 8.65 5.44 0.00 2.83 2.88 0.00 0.00 7.09 7.43 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 73 I 8.73 3.71 1.66 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 1.53 0.67 0.09 0.00 0.00 74 E 8.47 4.52 0.00 2.07 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 2.34 2.24 0.00 75 E 8.04 4.72 0.00 2.05 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 2.22 2.24 0.00 76 T 8.22 4.62 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 77 E 9.99 4.20 0.00 1.74 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 2.22 2.26 0.00 78 H 8.24 4.15 0.00 3.28 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.48 4.46 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 80 E 8.09 4.39 0.00 1.80 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 2.23 2.51 0.00 81 Q 8.81 4.50 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 82 K 8.66 4.87 0.00 1.61 1.70 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.41 7.81 83 R 8.84 4.74 0.00 1.63 1.83 0.00 3.50 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 84 N 8.86 5.00 0.00 2.76 2.69 0.00 0.00 6.82 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 85 V 7.93 4.50 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 0.75 0.00 0.00 0.98 0.00 0.00 86 I 8.33 4.37 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.67 0.86 0.00 0.00 87 R 7.54 4.69 0.00 1.84 1.68 0.00 3.23 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 88 I 8.51 4.94 1.94 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 1.40 0.83 1.00 0.00 0.00 89 I 9.19 4.65 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 1.16 0.00 0.00 90 P 0.00 4.97 0.00 2.18 2.11 0.00 3.92 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 2.12 2.08 0.00 91 H 8.56 3.51 0.00 2.51 3.08 0.00 5.80 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 92 H 8.34 4.11 0.00 3.25 3.47 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.74 4.69 0.00 2.39 2.67 0.00 0.00 6.80 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 94 F 8.05 4.61 0.00 3.09 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.19 3.76 0.00 2.26 2.56 0.00 0.00 7.04 7.54 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 96 A 7.81 3.73 1.30 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 0.00 0.00 0.00 97 A 7.18 4.44 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 98 I 8.26 3.61 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.81 0.00 0.00 98A N 7.89 3.69 0.00 2.68 2.55 0.00 0.00 6.92 7.20 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 98B T 6.84 3.93 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 99 Y 7.28 3.84 0.00 2.54 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 0.00 100 N 7.52 4.47 0.00 2.68 2.68 0.00 0.00 7.14 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.57 4.00 0.00 3.44 3.21 0.00 5.80 0.00 0.00 0.00 0.00 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.02 4.54 0.00 3.17 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 7.21 4.77 1.50 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 1.34 1.20 0.13 0.00 0.00 104 A 9.50 5.39 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.15 5.42 0.00 1.65 1.79 -0.14 0.54 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 0.00 106 L 9.59 5.24 0.00 1.53 1.52 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.63 3.62 0.00 1.16 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 1.77 1.47 0.00 108 L 7.77 4.87 0.00 1.42 1.47 0.94 0.86 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 0.00 109 D 8.92 4.47 0.00 2.62 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 0.00 110 E 7.83 4.69 0.00 1.90 1.83 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 2.17 2.17 0.00 111 P 0.00 4.59 0.00 2.07 2.05 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 112 L 8.52 4.36 0.00 1.59 1.66 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.63 4.20 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 0.77 0.00 0.00 0.94 0.00 0.00 114 L 8.51 4.43 0.00 1.70 1.68 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.47 4.80 0.00 2.95 2.94 0.00 0.00 6.75 7.25 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 0.00 116 S 8.66 4.00 0.00 3.38 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 0.00 117 Y 8.44 4.54 0.00 2.92 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 0.00 118 V 7.77 4.54 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 1.06 0.00 0.00 1.05 0.00 0.00 119 T 8.55 5.02 4.35 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 1.32 0.00 0.00 120 P 0.00 5.10 0.00 1.97 2.16 0.00 3.71 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 2.07 2.15 0.00 121 I 8.25 4.12 1.47 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.27 0.89 0.00 0.00 122 C 7.60 4.29 0.00 1.53 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 0.00 123 I 8.18 4.73 1.94 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 1.41 0.62 1.02 0.00 0.00 124 A 8.88 4.51 1.24 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 0.00 125 D 8.25 4.70 0.00 2.98 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 0.00 126 K 8.53 3.78 0.00 1.83 1.82 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.68 7.81 126A E 8.06 3.71 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00 126B Y 9.49 3.17 0.00 2.84 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.07 3.84 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 1.34 0.00 0.00 128 N 7.89 4.23 0.00 2.74 2.76 0.00 0.00 7.26 7.43 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 0.00 129 I 6.71 3.37 1.14 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.33 0.35 0.00 0.00 130 F 7.71 3.52 0.00 2.97 2.88 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 0.00 131 L 7.82 3.83 0.00 1.73 1.53 0.38 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.42 4.11 0.00 1.76 1.75 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.46 7.81 133 F 7.70 4.74 0.00 3.24 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 9.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.77 4.70 0.00 3.80 3.70 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 0.00 136 G 8.65 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 0.00 137 Y 9.28 5.33 0.00 3.05 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 0.00 138 V 9.17 5.36 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 1.11 0.00 0.00 1.09 0.00 0.00 139 S 8.54 4.86 0.00 3.37 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 0.00 140 G 7.22 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.05 4.81 0.00 3.33 3.14 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 0.00 142 G 8.31 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 R 8.51 4.43 0.00 1.72 2.05 0.00 3.17 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 144 V 8.37 4.65 1.49 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 0.74 0.00 0.00 0.51 0.00 0.00 145 F 7.50 4.89 0.00 3.03 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 0.00 143 H 8.70 4.82 0.00 3.15 3.45 0.00 8.55 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.63 4.85 0.00 1.83 1.65 0.00 1.07 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 0.96 7.81 145 G 7.53 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 0.00 150 R 8.11 4.56 0.00 1.76 1.96 0.00 3.26 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 151 A 8.69 4.42 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 0.00 152 A 8.40 4.38 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 0.00 153 L 8.86 4.23 0.00 1.69 1.93 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.69 4.85 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 0.70 0.00 0.00 0.97 0.00 0.00 155 L 8.59 2.80 0.00 1.29 1.34 -0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.11 5.26 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 157 Y 8.31 5.26 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 4.87 0.00 1.68 1.50 0.95 0.87 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 0.00 159 R 8.59 4.37 0.00 1.07 1.72 0.00 3.21 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.09 0.00 160 V 8.44 4.36 2.01 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 0.92 0.00 0.00 0.90 0.00 0.00 161 P 0.00 4.53 0.00 1.87 1.87 0.00 2.49 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.01 0.00 162 L 8.45 4.28 0.00 1.49 1.49 0.67 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.84 4.24 1.85 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 0.25 0.00 0.00 0.36 0.00 0.00 164 D 8.63 4.38 0.00 2.66 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 0.00 165 R 8.76 3.87 0.00 1.90 1.91 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 166 A 8.61 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 0.00 167 T 7.77 3.88 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 1.26 0.00 0.00 168 C 7.88 4.39 0.00 3.10 3.33 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 0.00 169 L 8.05 4.01 0.00 1.97 1.75 1.02 0.84 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 0.00 170 R 7.82 4.26 0.00 2.00 2.02 0.00 3.17 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 171 S 7.83 4.57 0.00 4.35 4.35 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 0.00 172 T 6.98 4.73 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 1.44 0.00 0.00 173 K 8.36 4.06 0.00 1.19 1.55 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.22 7.81 174 F 7.26 4.56 0.00 3.50 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 0.00 175 T 8.62 4.13 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 1.28 0.00 0.00 176 I 8.42 4.48 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.92 1.00 0.00 0.00 177 T 8.29 4.41 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 1.27 0.00 0.00 178 N 8.64 4.62 0.00 2.84 3.00 0.00 0.00 5.96 8.04 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 0.00 179 N 8.28 4.97 0.00 3.05 3.06 0.00 0.00 6.69 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 0.00 180 M 7.93 5.60 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 181 F 8.67 5.08 0.00 3.02 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 0.00 182 C 8.93 5.41 0.00 2.83 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.48 5.00 1.16 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 0.00 184 G 7.38 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 184A F 8.20 4.85 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 H 9.22 4.27 0.00 3.30 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 E 8.33 3.79 0.00 2.03 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 2.42 2.29 0.00 187 G 7.48 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 0.00 0.00 0.00 188 G 9.33 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188A R 7.33 5.22 0.00 1.55 1.85 0.00 2.45 0.00 0.00 3.40 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.24 0.00 189 D 8.39 4.81 0.00 2.80 2.46 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 0.00 190 S 8.66 4.77 0.00 3.92 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 0.00 191 C 9.30 4.69 0.00 2.89 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 0.00 192 Q 8.59 4.21 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.33 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 193 G 9.19 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 0.00 194 D 8.59 4.54 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 0.00 195 S 7.91 4.51 0.00 3.88 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 0.00 196 G 8.48 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 7.88 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 0.00 198 P 0.00 5.32 0.00 2.25 2.32 0.00 3.92 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 2.24 2.31 0.00 199 H 9.29 5.22 0.00 3.34 3.51 0.00 5.72 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 9.04 5.02 2.01 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 0.64 0.00 0.00 1.24 0.00 0.00 201 T 8.74 4.91 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 1.54 0.00 0.00 202 E 9.08 4.40 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 203 V 9.23 4.00 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 0.97 0.00 0.00 0.06 0.00 0.00 204 E 9.65 3.60 0.00 2.07 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 2.22 2.28 0.00 205 G 8.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 T 7.87 4.49 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 0.84 0.00 0.00 207 S 8.30 4.94 0.00 2.86 3.35 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 0.00 208 F 8.90 4.77 0.00 2.89 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 0.00 209 L 8.81 4.55 0.00 1.62 1.67 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 210 T 9.02 4.70 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 1.40 0.00 0.00 211 G 7.93 5.02 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 0.00 212 I 8.13 5.12 1.92 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 1.46 1.18 0.95 0.00 0.00 213 I 8.99 3.68 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.74 0.00 0.00 214 S 7.93 4.45 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 W 6.73 4.25 0.00 3.00 2.31 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 0.00 216 G 7.97 3.66 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 0.00 0.00 0.00 217 E 8.80 4.66 0.00 2.04 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 2.62 2.74 0.00 217 E 8.80 4.66 0.00 2.04 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 2.62 2.74 0.00 220 C 8.03 4.77 0.00 2.93 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 0.00 221 A 8.89 3.64 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 221A M 7.40 4.24 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 222 K 8.35 4.16 0.00 1.82 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.66 7.81 223 G 8.19 3.80 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 0.00 0.00 0.00 224 K 7.03 4.49 0.00 1.78 1.60 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.48 7.81 225 Y 7.85 4.90 0.00 2.77 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 0.00 226 G 8.99 3.70 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 0.00 0.00 0.00 227 I 7.96 4.68 0.56 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.52 0.61 0.00 0.00 228 Y 8.29 4.77 0.00 1.43 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 0.00 0.00 0.00 0.00 229 T 8.68 4.48 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 1.23 0.00 0.00 230 K 9.12 4.60 0.00 2.10 1.90 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.54 1.63 7.81 231 V 8.44 3.92 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 0.97 0.00 0.00 1.12 0.00 0.00 232 S 8.38 4.30 0.00 4.20 4.12 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 0.00 233 R 7.82 3.91 0.00 1.05 1.46 0.00 3.14 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 234 Y 8.12 4.79 0.00 3.12 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 0.00 235 V 7.54 3.75 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.14 0.00 0.00 236 N 8.22 4.43 0.00 2.94 2.92 0.00 0.00 6.74 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 0.00 237 W 8.38 4.24 0.00 3.52 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.33 3.24 2.09 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 1.66 0.97 0.85 0.00 0.00 239 K 7.63 3.83 0.00 1.74 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.63 7.81 240 E 7.84 3.96 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 241 K 7.24 3.88 0.00 0.85 1.10 0.00 1.52 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.93 0.52 7.81 242 T 6.60 2.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 243 K 7.22 3.95 0.00 1.70 1.76 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.56 7.81 244 L 8.34 4.50 0.00 1.67 1.64 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 245 T 8.45 4.17 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 * Residues marked with a * may have inaccurate shift predictions.