NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 L 4.1648 8.1844 120.6243 53.9976 42.6894 176.5987 23 N 4.6643 9.0945 133.0883 52.3844 41.5668 173.4475 24 F 3.9755 8.8059 121.3767 61.8179 40.2191 176.2076 25 N 4.2458 8.2809 115.1961 56.3295 36.8622 177.1940 26 V 3.5770 7.7898 118.9381 66.3553 31.5861 177.9889 27 I 4.1210 7.8605 119.4540 64.2382 36.6246 178.5605 28 G 3.5892 7.7230 106.0224 47.7299 0.0000 175.5410 29 R 3.8091 7.2647 119.0589 59.0213 30.0226 177.9608 30 Y 4.6010 6.9370 113.6083 58.1333 39.1920 174.9275 31 D 4.7315 8.3618 119.5772 51.1714 41.7611 173.9339 32 P 4.2491 0.0000 0.0000 64.6882 31.6770 177.7017 33 K 4.2900 8.0333 116.2547 56.3623 32.4563 176.2939 34 I 4.1764 7.3516 120.5577 61.7324 37.6582 175.1278 35 K 4.7227 9.4863 129.7103 57.6797 34.8154 176.2574 36 Q 4.7801 7.9969 119.9914 54.7630 32.6088 173.0952 37 L 4.7130 8.9719 129.1983 55.2563 42.2871 176.0134 38 L 4.6736 9.0441 126.3076 56.3411 43.4605 176.6559 39 F 4.9844 8.1030 118.0887 57.6972 42.6443 172.5654 40 H 5.2293 7.2548 118.4396 54.6976 31.3597 172.4770 41 T 4.3023 8.7983 114.9321 59.7216 70.3129 173.1007 42 P 4.0970 0.0000 0.0000 65.1935 31.4805 176.2605 43 H 5.1419 7.9621 114.6444 53.9992 32.4172 172.6399 44 A 5.1510 9.1431 124.8373 50.2507 23.0554 174.3566 45 S 4.9840 9.6549 116.4710 56.3721 65.6090 172.4515 46 L 5.0938 8.7294 129.1555 54.1097 43.7994 174.7336 47 Y 5.3335 9.3164 122.5238 56.1735 42.8965 174.0918 48 K 5.2560 9.5598 121.8523 54.5041 35.8344 175.0352 49 W 4.2329 9.1884 135.0000 57.0497 31.6395 174.7391 50 D 4.4878 7.4310 127.3347 52.4245 41.5023 177.0313 51 F 4.1255 8.7623 125.7690 60.1807 39.2830 177.3326 52 K 4.1166 7.9599 119.5478 59.4138 32.1044 178.4858 53 K 3.8990 8.1940 117.3069 56.9553 32.5937 176.5230 54 D 3.7928 7.3747 117.5767 54.2378 39.8506 171.4007 55 E 4.0752 5.9000 117.6447 54.4639 34.2323 173.7227 56 W 5.2514 8.5551 122.5171 55.9412 30.3327 175.7292 57 N 4.9771 9.6530 123.2567 51.6151 40.0459 174.4029 58 K 4.0911 8.8313 125.6023 56.3216 33.0690 176.1809 59 L 4.5992 8.2673 127.1544 52.7665 44.3163 177.4251 60 E 3.7969 8.4427 116.6487 57.0990 28.9529 176.2114 61 Y 4.9834 7.7183 118.1014 56.2714 40.2616 175.0432 62 Q 5.0862 9.1085 122.9280 53.7866 34.3116 174.2328 63 G 4.0804 8.0651 109.6559 45.6636 0.0000 171.9076 64 V 4.2639 8.0123 124.1528 62.7649 32.9792 175.4734 65 L 5.3710 9.1245 129.7991 53.3061 44.5163 174.8511 66 A 5.4750 9.2878 127.3077 50.2879 23.0539 174.4685 67 I 5.1850 9.2783 121.2995 59.7453 40.6333 174.4472 68 Y 5.4120 8.6173 123.8016 55.3847 42.1442 173.7394 69 L 4.7120 9.5606 123.5365 55.0777 43.4421 175.7059 70 R 5.1507 8.7473 125.0050 54.4052 32.9170 175.3822 71 D 4.6682 9.3348 123.9940 53.1187 41.5357 176.3320 72 V 4.4677 7.7482 127.2219 62.7793 31.9098 177.5835 73 S 3.6122 7.9217 116.9575 61.4148 62.7615 174.5302 *135 K 3.8486 7.7779 121.5607 55.6358 32.0794 174.6217 136 D 4.2988 8.6757 126.9335 54.6278 41.0837 175.8253 137 I 3.9698 7.8519 119.7193 61.6572 38.3729 176.3393 138 Y 4.5712 7.7817 120.5603 56.9797 36.3431 174.5468 139 N 4.3388 8.3790 122.1006 55.4040 40.1534 174.0576 140 Y 5.1283 8.0756 114.9288 56.0266 42.4573 175.0796 141 G 3.9486 8.5658 107.4348 44.2357 0.0000 171.2237 142 L 5.3557 8.7369 122.9159 53.0288 45.4974 175.1596 143 I 5.1379 9.1305 125.2467 59.4646 42.2734 173.4817 144 I 4.9798 9.0496 129.1595 59.5877 40.2559 174.3133 145 L 5.2215 8.9000 127.8331 51.8917 43.5066 176.0084 146 N 5.4990 8.8921 122.4686 53.4420 38.5865 175.8511 147 R 4.1733 8.7548 121.0160 57.9118 30.8326 177.2482 148 I 4.2420 7.6600 115.0422 60.7853 38.6599 173.7669 149 N 5.0450 7.5364 114.9940 51.6277 40.1338 172.3852 150 P 4.5065 0.0000 0.0000 63.5168 31.8179 176.8183 151 D 4.6688 8.6961 120.5724 54.8399 41.8347 175.3182 152 N 5.5102 8.9410 118.7442 51.4064 43.2424 172.7814 153 F 4.2657 9.0943 124.8325 56.0987 42.0203 173.8338 154 S 4.8513 7.3817 119.7995 56.4709 65.1941 172.5907 155 M 4.3473 8.8740 126.0783 53.6001 35.3405 174.3940 156 G 3.4014 8.1840 113.1286 45.6887 0.0000 172.8779 157 I 4.6474 9.0323 123.7817 59.3779 39.9016 174.6503 158 V 4.4960 8.4455 127.6038 60.2383 33.1443 173.9068 159 P 4.4599 0.0000 0.0000 62.4716 32.2541 177.0369 160 N 4.3634 9.0404 120.0236 56.5557 38.3969 177.9126 161 S 4.1395 8.0651 115.1266 61.5944 62.9083 176.7404 162 V 3.5517 7.6814 121.2753 65.5350 31.3946 178.0422 163 V 3.5549 7.6528 117.5291 66.2214 31.4521 177.8156 164 N 4.3912 8.7914 116.5508 56.0928 38.2830 177.3632 165 K 4.1961 8.3075 121.2472 59.4934 32.3305 178.8704 166 R 3.9497 8.0801 119.0539 59.4969 29.8096 178.7021 167 K 4.0050 7.9662 117.1712 59.0385 32.0290 179.2041 168 V 3.6780 7.6877 117.6703 65.2140 31.7634 177.3120 169 F 4.7953 8.2785 113.9986 57.0730 39.3906 176.1770 170 N 5.0297 8.3560 117.3142 50.8221 39.9852 176.4283 171 A 3.9953 8.5277 122.6014 55.9731 18.2169 178.5954 172 E 3.8863 8.2417 117.3057 59.2970 29.6800 178.3087 173 E 3.9529 8.1646 117.6290 59.7390 29.5585 179.1266 174 D 4.4141 7.9363 117.5650 57.7170 41.1149 178.1615 175 T 3.8838 7.9273 115.2962 66.8110 68.4966 176.2434 176 L 4.2233 7.7429 119.5917 56.6205 43.0603 177.8018 177 N 4.8597 8.2728 118.8067 50.0088 38.2960 170.7264 178 P 4.4213 0.0000 0.0000 61.7923 32.2462 175.8716 179 L 4.8887 8.7011 122.4903 52.8671 44.8336 175.7736 180 E 4.8317 8.3659 120.2707 54.1694 32.8364 175.2460 181 C 4.3943 8.4640 118.6961 60.1834 28.6812 173.8725 182 M 4.5335 8.7314 122.8866 55.6803 32.8021 175.3727 183 G 4.3882 8.8386 106.1701 45.3845 0.0000 172.1837 184 V 5.4478 8.2100 112.6358 59.8969 35.8241 174.3723 185 E 4.8608 9.3528 120.5697 55.4289 33.4902 173.9737 186 V 4.5686 7.9868 120.6403 61.0654 33.4647 174.7062 187 K 4.4967 8.4038 129.2397 55.5625 35.6153 175.2128 188 D 4.4529 8.4931 127.0337 56.0450 38.8756 175.0399 189 E 4.5351 9.0966 127.6371 56.9114 30.5394 174.9794 190 L 4.6684 7.7133 120.5053 53.4116 44.0046 175.9522 191 V 4.2636 8.4642 123.7252 62.0080 32.7580 174.5166 192 I 5.0422 9.3001 130.8544 60.0748 39.1926 175.0328 193 I 5.1197 9.1457 127.6996 59.3936 40.7916 174.1792 194 K 5.1813 9.2415 128.7514 54.9478 34.5488 175.6978 195 N 5.1839 8.8827 125.2815 51.4578 40.2257 175.6035 196 L 4.4448 8.7992 116.6816 56.7146 40.5456 178.6408 197 K 4.4553 8.1266 118.5514 55.7819 32.2242 175.3140 198 H 4.2351 8.1924 114.1000 56.6923 28.9477 174.2146 199 E 4.6090 7.6441 116.2361 54.9716 30.6238 175.4038 200 V 5.0621 8.3858 121.6853 61.4988 34.2535 173.8242 201 Y 5.4220 9.6311 125.5747 56.2954 41.5609 174.8000 202 G 4.0281 9.3724 109.0115 44.3510 0.0000 171.7317 203 I 5.1956 8.5674 124.9878 59.1592 40.5031 174.2250 204 W 4.8546 9.5271 135.0000 56.1181 32.2726 174.8694 205 I 4.2955 7.0041 126.9590 59.6304 39.1079 174.6719 206 H 3.2357 8.0039 127.9188 57.9478 30.4929 174.2943 207 T 3.7966 7.7469 124.0979 63.6058 68.5382 174.8880 208 V 3.5471 8.2196 127.1985 65.5591 31.4482 177.8137 209 S 4.2231 7.9374 113.9336 61.4499 63.0789 176.0252 210 D 4.5232 8.0295 122.0639 56.9263 40.4928 178.6092 211 R 3.7989 7.7604 118.9577 59.5167 30.0491 178.2473 212 Q 4.0298 7.6775 118.3472 59.0832 28.9728 177.7111 213 N 4.2209 8.1054 117.6793 56.2932 38.5107 177.2601 214 I 3.0110 7.8302 120.4363 63.7032 37.9832 177.3700 215 Y 4.0066 7.7205 120.0986 60.8084 38.6133 177.9243 216 E 3.6430 8.2857 119.6333 58.9356 29.4919 179.1395 217 L 3.8131 7.9047 120.6146 58.2819 42.2181 179.1483 218 I 3.6380 7.6959 119.8862 63.9597 36.8787 178.3560 219 K 3.7107 7.7183 120.4648 59.5346 31.8879 178.0511 220 Y 3.9251 8.0796 120.0383 60.8975 38.4853 178.2553 221 L 3.5971 8.0597 118.5807 57.4928 41.7781 179.1305 222 L 4.1640 7.8163 118.8756 57.1163 41.5247 178.5445 223 E 4.1247 8.1222 116.8184 56.4880 29.8542 175.9097 224 N 4.8313 6.8017 115.4865 50.6870 41.2232 174.1679 225 E 4.1037 8.2729 118.8863 55.5047 30.0642 175.6022 226 P 4.2606 0.0000 0.0000 62.9833 31.9450 175.9439 227 K 3.4002 7.7800 118.4759 57.8595 33.1424 174.0474 228 D 4.2755 8.3800 118.0741 55.2634 41.5310 176.0685 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 22 L 8.18 4.16 0.00 1.65 1.24 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.09 4.66 0.00 2.83 2.69 0.00 0.00 6.50 6.82 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 24 F 8.81 3.98 0.00 3.13 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.28 4.25 0.00 2.79 2.85 0.00 0.00 6.63 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 26 V 7.79 3.58 2.41 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 1.24 0.00 0.00 0.95 0.00 0.00 27 I 7.86 4.12 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.39 0.21 0.00 0.00 28 G 7.72 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 29 R 7.26 3.81 0.00 0.82 1.41 0.00 3.05 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.78 0.00 30 Y 6.94 4.60 0.00 2.90 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 31 D 8.36 4.73 0.00 2.63 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 32 P 0.00 4.25 0.00 2.06 2.07 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 33 K 8.03 4.29 0.00 1.97 2.00 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81 34 I 7.35 4.18 1.35 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.80 0.35 0.00 0.00 35 K 9.49 4.72 0.00 1.81 2.00 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 36 Q 8.00 4.78 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 37 L 8.97 4.71 0.00 1.93 1.71 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.04 4.67 0.00 1.82 1.80 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.10 4.98 0.00 3.16 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 40 H 7.25 5.23 0.00 3.05 3.10 0.00 5.52 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.80 4.30 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 42 P 0.00 4.10 0.00 1.75 1.90 0.00 3.56 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 43 H 7.96 5.14 0.00 3.11 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.14 5.15 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 45 S 9.65 4.98 0.00 4.03 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 46 L 8.73 5.09 0.00 1.69 1.51 0.82 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 9.32 5.33 0.00 2.75 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 48 K 9.56 5.26 0.00 1.88 1.69 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.25 1.01 7.81 49 W 9.19 4.23 0.00 2.27 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 50 D 7.43 4.49 0.00 2.40 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 0.00 0.00 0.00 0.00 51 F 8.76 4.13 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.96 4.12 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.48 7.81 53 K 8.19 3.90 0.00 1.53 1.68 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.42 7.81 54 D 7.37 3.79 0.00 2.70 2.59 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 55 E 5.90 4.08 0.00 1.74 1.41 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 0.00 2.25 2.29 0.00 56 W 8.56 5.25 0.00 3.25 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 57 N 9.65 4.98 0.00 2.77 2.78 0.00 0.00 6.23 7.72 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 58 K 8.83 4.09 0.00 1.75 1.69 0.00 1.08 0.00 0.00 0.76 0.00 0.00 2.80 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.26 1.35 7.81 59 L 8.27 4.60 0.00 1.80 1.69 1.11 0.73 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 60 E 8.44 3.80 0.00 1.32 1.60 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 2.17 2.18 0.00 61 Y 7.72 4.98 0.00 2.98 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 62 Q 9.11 5.09 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 63 G 8.07 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 0.00 0.00 0.00 0.00 64 V 8.01 4.26 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 0.84 0.00 0.00 0.98 0.00 0.00 65 L 9.12 5.37 0.00 1.83 1.55 1.07 1.06 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 66 A 9.29 5.48 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 67 I 9.28 5.19 2.07 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 1.34 1.02 0.96 0.00 0.00 68 Y 8.62 5.41 0.00 3.30 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 69 L 9.56 4.71 0.00 2.01 1.91 0.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.75 5.15 0.00 1.83 1.85 0.00 3.07 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.44 0.00 71 D 9.33 4.67 0.00 2.69 2.62 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 72 V 7.75 4.47 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 0.79 0.00 0.00 0.93 0.00 0.00 73 S 7.92 3.61 0.00 3.84 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 *135 K 7.78 3.85 0.00 1.71 1.75 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 136 D 8.68 4.30 0.00 2.68 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 0.00 137 I 7.85 3.97 1.63 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.35 0.81 0.00 0.00 138 Y 7.78 4.57 0.00 3.10 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 0.00 139 N 8.38 4.34 0.00 2.36 2.07 0.00 0.00 6.76 7.48 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 0.00 140 Y 8.08 5.13 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.57 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 0.00 142 L 8.74 5.36 0.00 1.63 1.55 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 143 I 9.13 5.14 2.04 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.62 1.04 0.00 0.00 144 I 9.05 4.98 1.97 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 1.31 0.67 1.05 0.00 0.00 145 L 8.90 5.22 0.00 1.51 1.52 0.91 0.51 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 0.00 146 N 8.89 5.50 0.00 2.86 2.78 0.00 0.00 6.96 8.26 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 0.00 147 R 8.75 4.17 0.00 1.83 2.01 0.00 3.28 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 148 I 7.66 4.24 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.82 0.92 0.00 0.00 149 N 7.54 5.04 0.00 2.78 2.73 0.00 0.00 6.14 7.75 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 0.00 150 P 0.00 4.51 0.00 2.10 2.19 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 151 D 8.70 4.67 0.00 2.74 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 0.00 152 N 8.94 5.51 0.00 2.38 2.39 0.00 0.00 6.55 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 0.00 153 F 9.09 4.27 0.00 1.51 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 0.00 154 S 7.38 4.85 0.00 3.60 3.36 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 0.00 155 M 8.87 4.35 0.00 1.91 1.58 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 156 G 8.18 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 0.00 0.00 0.00 157 I 9.03 4.65 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.17 0.95 0.00 0.00 158 V 8.45 4.50 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 0.75 0.00 0.00 0.98 0.00 0.00 159 P 0.00 4.46 0.00 2.24 2.23 0.00 3.70 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 160 N 9.04 4.36 0.00 2.75 2.87 0.00 0.00 6.78 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 0.00 161 S 8.07 4.14 0.00 4.04 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 0.00 162 V 7.68 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.91 0.00 0.00 163 V 7.65 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 164 N 8.79 4.39 0.00 2.75 2.88 0.00 0.00 6.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 K 8.31 4.20 0.00 2.04 2.01 0.00 1.58 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.49 7.81 166 R 8.08 3.95 0.00 1.94 2.12 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 167 K 7.97 4.00 0.00 1.95 1.85 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.60 7.81 168 V 7.69 3.68 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 -0.11 0.00 0.00 0.89 0.00 0.00 169 F 8.28 4.80 0.00 3.05 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 0.00 170 N 8.36 5.03 0.00 2.85 2.74 0.00 0.00 6.84 7.23 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 0.00 171 A 8.53 4.00 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 0.00 172 E 8.24 3.89 0.00 2.05 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 2.38 2.40 0.00 173 E 8.16 3.95 0.00 2.05 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 0.00 2.41 2.40 0.00 174 D 7.94 4.41 0.00 2.74 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 0.00 175 T 7.93 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 176 L 7.74 4.22 0.00 1.76 1.73 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 177 N 8.27 4.86 0.00 2.60 2.70 0.00 0.00 7.35 7.96 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 0.00 178 P 0.00 4.42 0.00 2.08 2.02 0.00 3.73 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.32 0.00 179 L 8.70 4.89 0.00 1.72 1.54 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.37 4.83 0.00 2.06 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 2.23 2.26 0.00 181 C 8.46 4.39 0.00 2.87 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 M 8.73 4.53 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 183 G 8.84 4.39 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 0.00 184 V 8.21 5.45 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 0.79 0.00 0.00 0.88 0.00 0.00 185 E 9.35 4.86 0.00 1.99 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 0.00 2.25 2.27 0.00 186 V 7.99 4.57 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.42 0.00 0.00 187 K 8.40 4.50 0.00 1.77 1.61 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.35 7.81 188 D 8.49 4.45 0.00 2.87 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 0.00 0.00 0.00 189 E 9.10 4.54 0.00 2.23 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 0.00 2.29 2.42 0.00 190 L 7.71 4.67 0.00 1.59 1.35 -0.12 0.59 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 0.00 191 V 8.46 4.26 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 0.90 0.00 0.00 192 I 9.30 5.04 2.05 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 1.14 0.00 0.00 193 I 9.15 5.12 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 1.07 0.00 0.00 194 K 9.24 5.18 0.00 1.84 1.69 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.22 7.81 195 N 8.88 5.18 0.00 3.00 3.19 0.00 0.00 6.66 6.29 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 0.00 196 L 8.80 4.44 0.00 1.85 1.84 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 197 K 8.13 4.46 0.00 1.91 1.81 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 198 H 8.19 4.24 0.00 3.54 3.30 0.00 5.80 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 E 7.64 4.61 0.00 2.51 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 200 V 8.39 5.06 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 1.19 0.00 0.00 1.10 0.00 0.00 201 Y 9.63 5.42 0.00 3.09 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 0.00 202 G 9.37 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 0.00 203 I 8.57 5.20 1.90 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 1.15 0.85 0.96 0.00 0.00 204 W 9.53 4.85 0.00 3.45 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 0.00 205 I 7.00 4.30 1.58 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 1.18 0.68 0.84 0.00 0.00 206 H 8.00 3.24 0.00 3.16 3.21 0.00 5.99 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 T 7.75 3.80 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 1.32 0.00 0.00 208 V 8.22 3.55 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 1.03 0.00 0.00 0.85 0.00 0.00 209 S 7.94 4.22 0.00 4.09 4.09 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 0.00 210 D 8.03 4.52 0.00 3.04 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 0.00 211 R 7.76 3.80 0.00 1.71 1.98 0.00 3.06 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 212 Q 7.68 4.03 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 213 N 8.11 4.22 0.00 2.85 2.73 0.00 0.00 6.64 7.36 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 0.00 214 I 7.83 3.01 1.52 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 1.23 1.15 0.92 0.00 0.00 215 Y 7.72 4.01 0.00 3.05 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 0.00 216 E 8.29 3.64 0.00 1.94 1.88 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 2.34 2.58 0.00 217 L 7.90 3.81 0.00 1.59 1.59 0.84 1.31 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 0.00 218 I 7.70 3.64 1.75 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.86 0.00 0.00 219 K 7.72 3.71 0.00 1.31 1.63 0.00 1.41 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.29 7.81 220 Y 8.08 3.93 0.00 3.04 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 0.00 221 L 8.06 3.60 0.00 1.48 1.15 0.52 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 222 L 7.82 4.16 0.00 1.76 1.66 0.91 0.77 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 0.00 223 E 8.12 4.12 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 224 N 6.80 4.83 0.00 2.11 2.45 0.00 0.00 7.00 8.69 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 0.00 225 E 8.27 4.10 0.00 1.94 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 2.29 2.26 0.00 226 P 0.00 4.26 0.00 2.01 2.18 0.00 3.79 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 2.02 2.12 0.00 227 K 7.78 3.40 0.00 1.69 1.79 0.00 1.87 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.32 7.81 228 D 8.38 4.28 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.