NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.1895 8.3149 120.1348 57.2833 33.5636 173.8194 4 E 3.9022 8.9794 122.3830 57.1384 27.4517 174.2999 5 I 4.1252 6.9996 124.9791 58.4153 37.9116 172.8492 6 P 4.4021 0.0000 0.0000 62.2439 32.1450 177.0516 7 T 3.9951 8.2447 118.3242 62.6175 69.3348 172.7193 8 P 4.4538 0.0000 0.0000 63.6196 32.4693 174.9914 9 Y 4.8675 8.6757 119.8581 56.8970 40.3068 174.7866 10 M 4.9762 8.7859 120.4336 53.4245 35.8868 175.0778 11 W 5.0162 8.8192 120.8824 55.0641 31.9339 175.2434 12 S 4.5805 8.8660 121.8558 58.1164 63.9424 172.8934 13 Y 3.8318 8.4630 125.7731 55.9002 39.0710 174.4102 14 Q 3.9163 7.6683 128.5005 54.4818 29.9330 174.7931 15 P 3.7118 0.0000 0.0000 64.4411 31.6823 176.2370 16 Q 4.5415 6.7844 115.3953 55.2685 32.2636 174.6951 17 M 3.5126 9.0128 123.7886 56.0302 30.1726 179.2737 18 G 3.9962 7.9041 104.3123 45.6816 0.0000 173.2298 19 L 4.4613 7.7742 117.5752 56.2021 41.5614 177.8518 20 A 3.4149 8.0463 122.6637 54.4204 18.1062 174.5411 21 A 4.5247 7.8323 115.0425 51.5339 22.2697 175.8251 22 G 3.8827 8.7586 102.0426 45.7470 0.0000 174.2313 23 A 4.7402 8.2698 126.8947 51.6129 19.3540 176.3342 24 A 4.8223 8.3062 120.3185 50.2677 23.0184 175.5178 25 Q 4.0164 8.2491 122.1758 56.1112 29.4134 176.1470 26 D 4.7152 8.3271 126.2228 53.6457 40.4615 175.4994 27 Y 4.7194 7.5487 112.6950 56.9276 38.3013 174.6751 28 S 4.4789 8.1870 113.7489 59.4410 64.3071 174.3221 29 T 4.6151 7.5690 114.6939 63.1439 70.6235 173.8654 30 R 3.9094 8.0200 121.3379 56.4634 30.4677 176.0477 31 I 4.2326 8.1276 123.9342 59.5604 37.9001 175.5036 32 N 4.5936 8.6822 123.9307 53.1995 37.5081 174.2394 33 Y 4.9534 8.5895 117.2342 57.1245 39.0807 177.2156 34 M 3.8614 8.2090 122.5333 58.6541 32.1209 177.7322 35 S 4.4333 7.9293 111.9344 58.8715 63.8665 174.4348 36 A 4.0827 7.2237 123.5914 51.9850 18.8309 177.4803 37 G 4.0566 8.1625 110.0175 43.3336 0.0000 172.7894 38 P 4.4382 0.0000 0.0000 65.3189 31.3346 176.7942 39 H 4.8181 8.1111 116.6742 55.8920 29.9298 174.7668 40 M 4.8105 7.7936 114.2326 55.0515 36.2095 176.5728 41 I 3.7064 8.5112 119.7845 64.0080 38.0293 177.7167 42 S 4.1485 8.1734 115.4949 61.8225 62.6592 176.6840 43 R 3.8608 7.7547 121.1379 59.2962 29.8233 178.4400 44 V 3.5687 7.8551 117.5378 66.4287 31.4123 177.5570 45 N 4.4412 8.3667 116.0494 56.2194 38.3400 177.7167 46 G 3.5906 8.1188 107.1392 47.9270 0.0000 175.9049 47 I 3.7849 8.3368 122.8095 63.9821 37.1674 178.8374 48 R 3.8737 8.2474 118.8350 59.2569 29.5045 178.9133 49 A 3.9812 8.2423 120.7837 55.4577 18.1875 179.2014 50 H 4.1523 8.3009 116.8279 59.2471 29.9821 177.5079 51 R 3.9271 7.9797 120.6852 59.5202 29.9725 178.2348 52 N 4.4048 8.1315 116.0507 56.4179 38.3848 177.6311 53 R 4.0254 7.7367 118.3605 59.1143 30.0616 179.1120 54 I 3.7032 7.5360 119.8296 64.4954 37.2785 178.5593 55 L 4.0503 7.8645 119.2688 57.4910 40.8580 179.3410 56 L 4.1180 7.8910 120.5552 58.0099 41.8437 178.5042 57 E 4.0605 8.3832 118.7661 58.7845 28.7247 177.7850 58 Q 4.1329 8.5013 118.3317 57.3452 29.0064 176.5040 59 A 4.5456 7.8754 120.4184 51.8886 19.9279 177.4347 60 A 4.6595 7.2207 116.8986 51.9088 19.4296 177.3542 61 I 4.3666 7.5082 119.2368 63.3983 40.4241 176.3713 62 T 4.3065 7.3211 114.7560 65.4271 69.3262 175.4945 63 T 3.7917 7.0150 118.0215 64.1462 68.9635 173.5014 64 T 4.4742 8.1497 122.3004 61.3729 69.3617 173.1301 65 P 4.1260 0.0000 0.0000 63.0392 31.7468 175.5906 66 R 4.6302 8.0994 117.9769 54.5061 32.5380 174.0453 67 N 4.7763 8.3708 112.5958 54.3966 40.8277 175.7926 68 N 4.3949 7.8896 113.7955 53.1484 39.0823 176.1514 69 L 3.0077 7.6333 115.7615 56.1676 42.1195 173.4670 70 N 4.7713 8.3352 113.4327 52.2574 40.6364 172.6157 71 P 4.3554 0.0000 0.0000 63.0846 32.2192 176.6481 72 R 4.4654 8.3742 117.8170 56.9976 30.9916 176.9575 73 S 4.7216 7.5009 111.5421 54.9252 62.1669 172.6286 74 W 4.2006 8.5001 122.4215 55.9312 29.5713 174.8941 75 P 4.4352 0.0000 0.0000 62.6645 31.3883 176.8254 76 A 4.4002 8.5552 121.6751 52.8393 18.3947 177.9468 77 A 4.7087 7.9029 117.7928 52.2422 19.8701 176.6577 78 L 4.5541 7.6270 113.3968 56.3714 43.9420 177.4380 79 V 3.5759 7.9233 116.0382 63.6363 31.6989 174.8728 80 Y 4.7833 8.6338 124.2863 57.7493 38.2709 174.7536 81 Q 4.6145 8.5894 124.1791 53.6318 30.6544 175.4081 82 E 3.9934 8.7477 122.3226 57.3007 30.1658 177.5770 83 S 4.5205 8.0441 116.9156 56.0789 63.0079 170.4236 84 P 4.2940 0.0000 0.0000 61.2338 31.0547 176.4173 85 A 4.0141 8.4434 127.5467 51.2044 18.5715 175.2259 86 P 4.0901 0.0000 0.0000 63.7702 31.7979 175.9805 87 T 4.2468 8.3203 119.7200 62.2925 68.7762 175.0199 88 T 4.1288 8.3950 124.7286 63.2293 67.7778 174.4640 89 V 4.4610 8.0467 119.5478 59.5623 35.3062 174.7891 90 V 4.4644 8.1998 120.6114 61.5102 34.3397 175.5460 91 L 4.4045 7.8312 123.8361 52.0463 40.8993 175.6743 92 P 4.5167 0.0000 0.0000 59.9128 29.0313 176.3133 93 R 5.0745 7.1165 127.8739 55.9786 33.1177 174.1047 94 D 4.4887 7.8605 123.4406 53.8131 42.0957 176.1030 95 A 4.8464 8.4336 126.8520 51.8498 19.1472 177.4911 96 Q 4.4974 7.9258 114.4565 56.5298 29.0398 175.8970 97 A 4.5278 7.8265 120.6270 52.9681 20.5364 178.4027 98 E 4.1991 7.3960 112.8984 58.3084 29.8743 179.1883 99 V 3.7492 7.6788 111.7883 63.6436 31.8965 177.5507 100 Q 4.0767 7.9707 116.4671 57.0939 29.7397 177.0055 101 M 4.3534 7.4903 115.8493 57.9312 32.7836 178.4516 102 T 3.9161 7.7662 115.7484 66.7884 68.4599 176.4619 103 N 4.6282 7.7167 118.7413 56.2200 38.5334 177.9822 104 S 4.3857 7.5770 119.8168 63.8010 62.6915 179.5006 105 G 3.6776 7.0750 107.7001 44.9291 0.0000 173.5682 106 A 4.3396 7.8000 124.1479 50.8438 18.8852 177.1660 107 Q 4.1516 8.6432 123.0446 56.1448 29.4296 176.2133 108 L 4.6328 8.3526 122.2372 54.3516 42.4186 176.4257 109 A 4.5014 8.3042 122.1669 49.7490 19.7649 175.6795 110 G 3.5853 8.4622 110.1115 46.6227 0.0000 171.4131 *159 R 4.3721 8.6064 124.4005 55.9666 31.5698 174.8803 160 P 4.4719 0.0000 0.0000 63.3681 31.7389 178.0511 161 S 4.1430 8.3146 110.9687 58.3664 61.2055 169.7117 162 F 4.2289 7.4315 118.5056 58.9522 39.2827 174.9431 163 T 4.7731 7.5615 118.9303 61.3799 71.5219 173.0387 164 P 4.4717 0.0000 0.0000 64.3475 31.9338 177.4154 165 R 4.1517 7.7706 116.8968 55.9885 30.6343 175.5076 166 Q 4.4773 8.3481 120.3887 54.1619 31.8688 174.3214 167 A 4.6626 8.3881 126.4237 51.1510 21.0072 176.1174 168 I 4.5479 8.0466 121.6328 59.9384 41.1899 174.3020 169 L 4.7543 7.9745 129.1931 53.6302 44.9396 176.3527 170 T 4.2429 8.5861 122.3257 63.2347 69.3998 174.3401 171 L 4.4762 7.9690 122.1248 53.2487 44.3253 177.1360 172 Q 4.2196 8.5794 123.9090 55.6612 27.4387 176.3356 173 T 4.0157 8.2597 120.7009 65.9265 68.9593 176.1152 174 S 4.1729 7.9770 117.7970 58.2221 63.2388 174.3784 175 S 4.2577 8.5335 119.6478 58.4229 62.6878 173.9255 176 S 4.0978 8.1165 117.4801 60.2358 63.1354 173.8286 177 E 4.5060 7.6946 120.9460 53.9602 30.5538 174.6439 178 P 4.3036 0.0000 0.0000 62.5811 32.0090 176.3754 179 R 4.0527 8.3905 122.1884 56.4188 30.6612 176.1277 180 S 4.5741 8.1980 117.7975 56.4241 65.1020 172.4475 181 G 3.9998 8.4875 118.5189 46.5448 0.0000 175.0179 182 G 4.3388 8.9209 116.6184 44.3201 0.0000 171.5634 183 I 4.1463 7.5592 120.9079 59.8089 38.8783 177.0017 184 G 4.0233 7.9820 112.6822 46.2243 0.0000 174.2368 185 T 3.5367 8.3842 114.9087 66.0985 68.9879 176.9495 186 L 3.9767 7.6508 120.3128 57.8643 41.7596 179.2776 187 Q 3.9282 7.9919 118.8944 58.8061 28.7835 177.7148 188 F 4.1723 7.5451 121.0761 60.8885 39.4249 176.9233 189 I 3.8895 7.3272 118.7780 63.7992 36.9634 177.5271 190 E 4.1852 8.0102 118.1716 57.2346 29.8984 176.0152 191 E 4.3643 7.5291 117.2133 54.8228 31.9366 174.7901 192 F 3.1731 7.9619 114.8852 58.4174 36.1142 176.4174 193 V 3.6655 7.5250 119.0717 61.9756 32.0131 173.8194 194 P 4.8836 0.0000 0.0000 63.3491 29.8253 175.2486 195 S 4.6567 8.5741 118.9806 57.2407 63.9537 175.2302 196 V 3.9457 8.4443 118.4380 61.8523 32.1492 175.7055 197 Y 4.7769 8.8503 124.0408 58.2242 39.3235 177.6817 198 F 3.8489 8.5728 119.9158 57.8342 38.5898 174.7754 199 N 4.8665 8.4327 117.9572 49.4038 38.2745 168.8704 200 P 4.1863 0.0000 0.0000 63.3232 31.4140 177.0567 201 F 3.6196 8.1962 126.4325 59.2044 36.1966 176.1927 202 S 4.6840 8.4980 114.1107 56.3690 66.1832 174.2879 203 G 3.6708 8.4551 112.9819 43.9628 0.0000 171.1147 204 P 4.5481 0.0000 0.0000 61.1881 32.5659 175.2248 205 P 3.6246 0.0000 0.0000 64.1545 31.1514 177.7587 206 G 3.2428 6.7283 108.7564 47.5433 0.0000 173.9341 207 H 4.9213 7.4869 127.9349 53.5820 28.5067 174.1298 208 Y 4.8528 9.0620 121.0995 55.5172 40.6211 176.2753 209 P 3.5898 0.0000 0.0000 62.9195 33.6044 178.7383 210 D 3.6925 7.8553 114.5733 55.3469 40.4127 175.2401 211 Q 4.2522 8.8247 120.7681 58.2484 29.7548 177.2055 212 F 4.3534 8.6125 116.5692 56.9653 39.2346 175.1818 213 I 4.5182 7.4116 122.5923 58.5464 38.8498 174.8719 214 P 4.3917 0.0000 0.0000 65.0189 30.9594 175.6829 215 N 4.8014 7.2204 113.8692 51.5690 39.3899 173.1600 216 F 4.5330 8.0585 119.6736 57.4044 41.8499 173.5784 217 D 4.3062 7.7924 127.8980 53.6238 41.3502 177.1741 218 A 4.0467 8.0957 123.5735 53.9414 18.6121 178.1973 219 V 4.3112 6.8918 107.4385 60.7431 35.8785 175.8922 220 K 3.9281 8.5749 122.4718 55.8241 30.1106 174.8009 221 D 4.8991 8.2017 119.1615 53.1386 42.4726 176.2005 222 S 4.1255 8.6691 114.9484 59.9641 63.5211 175.4138 223 A 4.7757 8.2166 126.4353 51.0763 18.6924 175.9526 224 D 4.5061 7.8395 121.3420 53.5413 43.1596 173.9246 225 G 3.3897 8.5606 115.7594 44.2157 0.0000 173.1670 226 Y 4.3872 8.7553 123.8534 57.9026 39.8037 169.4331 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 8.31 4.19 0.00 1.78 1.88 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 4 E 8.98 3.90 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 5 I 7.00 4.13 1.81 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 1.39 0.53 0.83 0.00 0.00 6 P 0.00 4.40 0.00 2.23 2.11 0.00 3.36 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 1.77 1.75 0.00 7 T 8.24 4.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 8 P 0.00 4.45 0.00 2.23 2.03 0.00 3.52 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 9 Y 8.68 4.87 0.00 2.89 2.78 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 0.00 10 M 8.79 4.98 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 11 W 8.82 5.02 0.00 3.15 3.18 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 12 S 8.87 4.58 0.00 3.83 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 13 Y 8.46 3.83 0.00 1.43 2.55 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 14 Q 7.67 3.92 0.00 1.90 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.67 0.00 0.00 0.00 0.00 0.00 2.48 2.19 0.00 15 P 0.00 3.71 0.00 1.95 2.00 0.00 3.45 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 16 Q 6.78 4.54 0.00 1.72 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 5.72 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 17 M 9.01 3.51 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 18 G 7.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.77 4.46 0.00 1.86 1.90 0.94 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.05 3.41 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 21 A 7.83 4.52 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 22 G 8.76 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 23 A 8.27 4.74 -0.13 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 0.00 0.00 24 A 8.31 4.82 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 25 Q 8.25 4.02 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 26 D 8.33 4.72 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.55 4.72 0.00 3.00 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 28 S 8.19 4.48 0.00 3.78 3.57 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 29 T 7.57 4.62 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 30 R 8.02 3.91 0.00 1.81 1.85 0.00 3.36 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 31 I 8.13 4.23 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.93 0.00 0.00 32 N 8.68 4.59 0.00 2.86 2.85 0.00 0.00 6.05 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 33 Y 8.59 4.95 0.00 3.08 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 34 M 8.21 3.86 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.83 0.00 35 S 7.93 4.43 0.00 3.87 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 36 A 7.22 4.08 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 37 G 8.16 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 38 P 0.00 4.44 0.00 2.06 2.12 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 39 H 8.11 4.82 0.00 3.09 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 7.79 4.81 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 41 I 8.51 3.71 1.92 0.00 0.00 0.59 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 1.51 0.95 0.00 0.00 42 S 8.17 4.15 0.00 3.88 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 43 R 7.75 3.86 0.00 1.82 2.04 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 44 V 7.86 3.57 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 45 N 8.37 4.44 0.00 3.03 2.87 0.00 0.00 7.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.12 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 3.78 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.92 0.00 0.00 48 R 8.25 3.87 0.00 2.07 1.94 0.00 3.06 0.00 0.00 3.12 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0.00 1.97 1.95 0.00 3.56 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 1.99 2.04 0.00 66 R 8.10 4.63 0.00 1.54 1.55 0.00 2.33 0.00 0.00 2.61 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.33 0.00 67 N 8.37 4.78 0.00 2.60 2.80 0.00 0.00 6.84 8.00 0.00 0.00 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 N 7.89 4.39 0.00 2.55 2.79 0.00 0.00 6.87 6.74 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 69 L 7.63 3.01 0.00 1.69 1.70 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 70 N 8.34 4.77 0.00 2.70 2.94 0.00 0.00 7.16 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 71 P 0.00 4.36 0.00 1.90 1.77 0.00 3.40 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.23 0.00 72 R 8.37 4.47 0.00 1.84 2.06 0.00 3.36 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 73 S 7.50 4.72 0.00 3.80 3.73 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.32 2.42 0.00 82 E 8.75 3.99 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 83 S 8.04 4.52 0.00 3.74 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 84 P 0.00 4.29 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 85 A 8.44 4.01 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 86 P 0.00 4.09 0.00 2.04 2.19 0.00 3.66 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 2.03 2.13 0.00 87 T 8.32 4.25 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 1.20 0.00 0.00 88 T 8.40 4.13 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 1.21 0.00 0.00 89 V 8.05 4.46 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 0.80 0.00 0.00 0.93 0.00 0.00 90 V 8.20 4.46 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1.53 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 172 Q 8.58 4.22 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 173 T 8.26 4.02 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 1.20 0.00 0.00 174 S 7.98 4.17 0.00 3.85 3.81 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 0.00 175 S 8.53 4.26 0.00 3.97 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 0.00 176 S 8.12 4.10 0.00 3.88 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 0.00 177 E 7.69 4.51 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 2.25 2.26 0.00 178 P 0.00 4.30 0.00 2.06 2.23 0.00 3.69 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 2.05 2.10 0.00 179 R 8.39 4.05 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 180 S 8.20 4.57 0.00 3.90 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 0.00 181 G 8.49 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.92 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 0.00 183 I 7.56 4.15 1.74 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.36 0.84 0.00 0.00 184 G 7.98 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 0.00 185 T 8.38 3.54 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 186 L 7.65 3.98 0.00 1.71 1.72 0.93 0.68 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 0.00 187 Q 7.99 3.93 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 188 F 7.55 4.17 0.00 2.98 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 0.00 189 I 7.33 3.89 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.91 0.00 0.00 190 E 8.01 4.19 0.00 1.84 1.93 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 2.27 2.52 0.00 191 E 7.53 4.36 0.00 1.99 1.69 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 2.14 2.11 0.00 192 F 7.96 3.17 0.00 2.47 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 V 7.53 3.67 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 0.87 0.00 0.00 0.91 0.00 0.00 194 P 0.00 4.88 0.00 2.25 2.54 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 195 S 8.57 4.66 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.44 3.95 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 0.67 0.00 0.00 1.28 0.00 0.00 197 Y 8.85 4.78 0.00 2.95 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 0.00 198 F 8.57 3.85 0.00 3.23 3.25 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 0.00 199 N 8.43 4.87 0.00 2.49 2.56 0.00 0.00 6.65 8.62 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 0.00 200 P 0.00 4.19 0.00 2.30 2.25 0.00 3.94 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 201 F 8.20 3.62 0.00 3.20 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.50 4.68 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.46 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 0.00 0.00 0.00 204 P 0.00 4.55 0.00 2.09 2.10 0.00 3.64 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 1.94 1.87 0.00 205 P 0.00 3.62 0.00 2.00 2.11 0.00 3.64 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 1.84 1.88 0.00 206 G 6.73 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 0.00 0.00 0.00 207 H 7.49 4.92 0.00 3.15 3.33 0.00 5.68 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 0.00 208 Y 9.06 4.85 0.00 3.00 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 0.00 209 P 0.00 3.59 0.00 1.98 1.79 0.00 3.83 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.26 0.00 210 D 7.86 3.69 0.00 2.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 Q 8.82 4.25 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.41 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 212 F 8.61 4.35 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 0.00 213 I 7.41 4.52 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 1.00 0.00 0.00 214 P 0.00 4.39 0.00 2.17 2.21 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 215 N 7.22 4.80 0.00 2.77 2.79 0.00 0.00 6.77 7.33 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 0.00 216 F 8.06 4.53 0.00 2.87 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 0.00 217 D 7.79 4.31 0.00 2.60 2.45 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 0.00 218 A 8.10 4.05 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 0.00 219 V 6.89 4.31 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 0.65 0.00 0.00 0.87 0.00 0.00 220 K 8.57 3.93 0.00 1.90 1.96 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.43 7.81 221 D 8.20 4.90 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 S 8.67 4.13 0.00 3.92 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 0.00 223 A 8.22 4.78 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 0.00 224 D 7.84 4.51 0.00 2.66 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 0.00 225 G 8.56 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 Y 8.76 4.39 0.00 3.17 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.