NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2848 7.8827 121.4443 61.1910 38.7427 173.7753 17 V 4.3850 8.4763 125.7235 61.5863 33.0213 174.1740 18 G 3.8627 8.9951 114.9379 46.7496 0.0000 172.9838 19 G 4.3536 7.8791 110.8050 43.7180 0.0000 172.4430 20 Y 4.9741 7.5090 116.4115 55.1283 42.2118 174.8630 21 T 4.3112 8.5816 117.0042 64.0264 68.5231 175.3923 22 C 4.3939 8.8372 125.2979 61.3200 34.8886 173.9987 23 G 4.1500 8.5818 105.6581 43.3149 0.0000 173.0506 24 A 4.3687 8.5381 125.2509 53.0608 18.7648 177.1703 25 N 4.1901 8.7138 120.1118 54.5343 36.3188 175.0006 26 T 4.3335 7.5881 105.3636 61.9420 70.1735 175.1147 27 V 4.1012 6.9574 121.6233 60.5161 31.3622 173.8099 28 P 4.5171 0.0000 0.0000 64.0142 32.1115 178.0896 29 Y 5.1778 6.7885 115.7643 56.5191 38.7664 174.5986 30 Q 4.6278 7.3947 123.4433 56.1501 29.6744 175.1538 31 V 4.8294 8.9124 125.3050 61.1549 35.6670 173.7092 32 S 4.8491 8.7935 119.2861 56.4326 65.0945 172.5076 33 L 4.7572 8.5188 127.4882 53.2014 43.5257 174.9607 34 N 5.9702 9.1145 122.5671 50.0249 42.0404 174.9350 *37 S 4.4491 8.4182 120.5885 58.5471 64.1725 174.2626 38 G 3.9802 9.2617 109.2752 46.7946 0.0000 173.0721 39 Y 4.5669 6.4209 115.3208 56.1316 40.1937 172.7196 40 H 4.6677 8.7844 121.3083 55.9775 30.3501 174.8118 41 F 4.9652 7.7165 119.2453 56.4142 39.3631 173.4205 42 C 4.7108 6.6057 117.0457 56.4856 44.7066 172.8155 43 G 4.3628 8.6226 108.9848 45.2238 0.0000 172.0201 44 G 4.5380 7.6641 103.8064 46.4941 0.0000 172.5883 45 S 5.5302 8.8340 115.4066 56.4850 66.8933 173.5573 46 L 4.7586 9.0334 126.7240 54.4961 42.5738 177.0415 47 I 4.3919 8.4509 119.5727 60.9592 39.0025 174.6364 48 N 4.4796 7.6732 117.3025 52.0775 39.1709 175.2266 49 S 4.1987 8.4825 112.9964 60.8702 62.9318 175.6306 50 Q 4.4869 8.1916 117.3768 55.1933 29.9467 174.5168 51 W 5.5431 8.1630 117.8820 54.7816 33.5821 174.3839 52 V 5.1322 9.1449 122.8472 61.0799 34.5726 174.4033 53 V 4.9607 8.7738 126.3796 60.4723 33.7065 174.8640 54 S 4.8497 9.0158 117.1762 57.6994 66.1226 171.9207 55 A 4.7126 8.5258 120.2990 50.6124 20.5834 178.5036 56 A 3.8822 8.2716 124.1733 55.0836 18.5125 178.9853 57 H 4.5886 8.3907 109.4224 56.9962 28.7387 175.2042 58 C 4.7831 7.7637 117.1161 56.8970 40.4653 173.2463 59 Y 4.2783 7.6686 122.2901 57.8060 38.7639 175.2854 60 K 3.8809 7.1667 124.0474 55.2852 36.2130 174.7317 61 S 4.4401 7.9812 114.9397 57.8373 64.0867 173.5967 62 G 3.6356 8.5436 112.3281 46.4615 0.0000 173.2785 63 I 4.5499 7.4075 118.8335 59.6838 39.7819 175.5608 64 Q 4.7989 8.7570 126.9020 54.2409 32.1615 174.0371 65 V 4.6027 8.9851 126.3628 61.4720 33.8746 174.5251 66 R 5.2555 8.8067 126.4994 54.6483 32.8399 174.8956 67 L 4.7589 9.2346 124.6883 52.7430 44.7600 177.1696 *69 G 4.4261 8.2307 106.1687 46.3258 0.0000 172.7397 70 E 4.6609 8.4502 118.7973 55.2659 30.3289 174.2719 71 D 4.7544 7.8563 117.4325 55.0394 43.7557 174.0589 72 N 4.8397 8.8822 117.7484 52.9394 39.4933 175.9683 73 I 3.9452 8.6000 119.4486 61.6914 37.8833 176.0575 74 N 4.7937 8.9030 117.9549 53.0772 39.6772 174.7190 75 V 4.3140 7.4363 117.6808 60.6109 34.0356 174.9338 76 V 4.0685 8.4683 126.9964 62.7851 31.1942 175.2269 77 E 4.3746 9.2672 127.1565 55.9597 29.9080 177.0166 78 G 4.0386 8.1193 107.2040 45.2015 0.0000 174.3206 79 N 4.8961 8.1765 115.4920 53.0979 39.9209 174.3975 80 E 5.4794 7.8191 118.0895 55.1370 31.5034 175.8095 81 Q 4.3133 8.3382 119.3402 54.3337 33.0021 173.9352 82 F 5.6248 8.8171 122.9160 56.0099 40.9776 175.1046 83 I 4.6961 9.0731 124.9026 59.4605 40.9320 175.7657 84 S 4.6960 8.6761 121.7284 58.1405 64.4716 173.0091 85 A 4.7392 8.1844 123.8563 51.6989 18.8338 177.6878 86 S 4.6221 8.8849 116.3389 59.5464 64.8219 174.6823 87 K 4.6537 7.5326 117.3583 55.6361 35.4749 174.6401 88 S 5.2904 8.7890 116.5736 56.7258 65.5459 173.3269 89 I 4.6263 9.0307 126.6460 59.5878 40.1512 174.7510 90 V 4.1848 8.4342 127.3355 62.0463 32.8259 175.1566 91 H 3.5522 8.6413 126.7716 55.8988 29.9781 174.2224 92 P 4.2489 0.0000 0.0000 65.4873 30.9826 177.0421 93 S 4.7239 7.6688 112.6624 58.0128 63.2350 173.2029 94 Y 4.2966 7.9379 122.6357 57.5856 39.0169 174.3208 95 N 4.5990 8.0508 125.8617 51.4109 39.6062 175.0028 96 S 3.9274 7.7687 119.9235 59.2734 63.5348 174.9676 97 N 4.4353 8.1528 118.8766 54.9299 38.8022 175.9994 98 T 4.0040 7.6363 105.2987 60.5296 70.1233 174.7682 99 L 3.6693 7.8409 121.0621 55.4780 39.6991 173.8955 100 N 4.4760 7.5761 117.8242 54.5680 39.6315 174.5126 101 N 4.6763 8.6668 119.7381 54.2285 35.6863 175.8095 102 D 4.7754 7.9129 117.8188 52.9911 39.9690 174.7515 103 I 4.8189 7.2268 121.0972 59.3821 42.1624 172.6175 104 M 5.5006 9.2005 126.6763 54.1728 36.3071 173.2778 105 L 5.4317 9.1809 123.6380 53.1142 45.2376 175.4937 106 I 5.0048 9.1665 123.4237 59.4919 40.7526 174.2786 107 K 3.8081 8.7548 128.8788 54.5396 33.8042 175.4243 108 L 4.5905 7.9886 127.0932 53.9804 42.1757 177.3540 109 K 4.1212 8.8460 122.4891 58.9586 32.4684 177.7083 110 S 4.6555 7.7351 112.8262 56.1585 66.7136 173.3389 111 A 4.4651 8.3147 123.7730 51.8217 19.0242 177.3306 112 A 4.3433 8.7084 122.5708 51.7321 20.0353 177.2168 113 S 4.6827 8.8395 116.0500 56.9046 64.1594 174.4837 114 L 4.5888 8.5398 125.6021 54.1907 42.6956 176.3174 115 N 4.7987 8.8350 119.1731 52.6240 39.5208 174.9173 116 S 4.0039 8.8143 112.5988 62.1652 62.7796 175.6694 117 R 4.1133 8.8884 119.1130 57.1433 30.4736 176.0139 118 V 4.6411 7.7769 117.2146 60.8716 33.2406 173.8151 119 A 5.1927 8.6286 128.3758 50.3747 23.0679 174.8339 120 S 5.1344 8.6813 113.7769 57.3169 65.3438 173.0409 121 I 4.4992 8.3375 120.6502 59.2134 39.8716 175.3010 122 S 4.4888 8.3341 122.7412 57.8675 63.8627 173.9359 123 L 4.3492 8.0792 123.2536 53.1565 42.6324 175.1832 124 P 4.5272 0.0000 0.0000 62.9598 32.2398 176.2394 125 T 4.1193 8.2500 109.0551 62.7024 69.9644 174.6552 *127 S 4.7187 7.5489 114.3378 58.0425 64.0643 173.6369 128 C 4.4686 8.3593 117.4013 56.3018 40.8395 173.6959 129 A 4.4278 7.9544 124.9889 51.3935 19.6407 177.6540 130 S 4.1792 8.1079 115.7551 57.9244 63.9764 173.6940 *132 A 4.2099 8.2359 125.1322 53.4739 19.3608 176.0303 133 G 4.0820 8.9083 109.5269 45.6972 0.0000 174.7684 134 T 3.9901 7.7933 116.4198 63.8148 69.5002 173.8162 135 Q 4.8043 8.5319 124.3473 55.4410 30.2570 175.5891 136 C 5.2503 9.2144 119.6174 55.1430 43.6515 172.3139 137 L 5.2415 9.0109 122.1071 53.4669 44.4335 175.0369 138 I 5.3236 9.1008 126.7867 58.6852 40.3691 174.7410 139 S 4.9389 8.8201 119.4122 56.3023 66.6145 173.0526 140 G 3.8504 7.3740 108.8211 46.1381 0.0000 172.8154 141 W 4.5964 8.5638 117.0532 56.2498 29.3986 176.9685 142 G 4.0833 8.4635 109.0002 44.1639 0.0000 173.5035 143 N 3.5223 8.0760 117.9037 54.2363 38.9458 174.4724 144 T 5.0064 8.1924 112.1523 60.3951 69.6918 174.0672 145 K 4.6256 7.8184 121.6337 54.7357 34.7347 176.2908 146 S 4.2682 8.8268 118.2633 61.2219 63.5539 175.4507 147 S 4.5732 9.0242 118.6879 53.3645 61.7422 173.4277 148 G 4.1943 6.9014 111.1924 44.6985 0.0000 169.1123 149 T 4.8054 7.6937 115.5311 61.7594 71.8992 174.4165 150 S 4.4664 9.3173 121.0840 57.8364 65.9621 172.2882 151 Y 4.7792 8.7640 125.7222 55.6327 39.3843 174.2801 152 P 4.7245 0.0000 0.0000 62.5477 32.9656 175.2465 153 D 4.9460 8.6486 117.1541 54.6577 42.9902 176.6698 154 V 5.5069 7.7053 110.1157 58.2032 34.7824 175.4915 155 L 3.2116 8.6101 124.6610 55.0859 43.0988 175.7870 156 K 4.9047 8.1848 124.7892 54.7927 35.3784 174.5195 157 C 5.2932 8.4633 119.8320 55.2553 43.5919 172.9297 158 L 4.8529 8.4592 121.8211 54.0625 45.6143 174.0861 159 K 5.1698 8.9490 125.4465 55.0382 33.8320 175.6266 160 A 4.9004 9.1933 125.3358 49.8055 23.1555 173.5941 161 P 5.0736 0.0000 0.0000 61.7382 34.0360 175.1103 162 I 4.2928 8.3064 122.0561 61.3989 38.2245 175.7776 163 L 4.9196 8.5099 126.5404 52.9190 43.9248 176.6853 164 S 4.3708 7.9944 115.4865 58.1805 63.8518 175.4469 165 D 4.4887 8.6586 122.0593 57.3420 40.4429 179.2432 166 S 4.2547 8.0524 115.0697 61.3964 63.1784 176.5414 167 S 4.4916 8.0260 118.8235 60.4272 62.9221 175.7676 168 C 4.2894 8.1682 122.1612 59.7369 43.2864 175.8109 169 K 4.0219 8.4076 119.2432 59.3314 32.0220 179.3019 170 S 4.2660 8.4852 114.6885 61.1093 62.7355 176.4146 171 A 3.9517 7.6865 123.4703 53.5526 19.7500 177.1782 172 Y 4.8424 7.6680 114.0394 55.3052 38.2424 172.3379 173 P 4.5739 0.0000 0.0000 63.6698 32.2722 177.0978 174 G 3.9910 9.0594 110.3062 46.2109 0.0000 173.7440 175 Q 4.5714 8.1626 116.6852 55.1878 30.6514 175.5268 176 I 4.4769 7.8650 119.3377 59.8035 38.6258 175.1566 177 T 4.6317 8.1676 115.0140 59.4577 71.1334 175.0301 178 S 4.3185 8.5475 114.9277 60.4472 63.2384 174.3825 179 N 4.9545 8.1957 118.6269 53.3751 38.4400 173.8943 180 M 5.6124 7.8402 117.1760 53.8812 36.3649 174.4109 181 F 5.0981 8.7040 114.7907 55.9331 42.1582 172.4145 182 C 5.6115 9.0594 116.0826 55.5316 42.8266 172.8036 183 A 4.9653 9.3341 122.1690 51.0237 22.5159 176.1059 184A G 3.9666 6.8096 106.6183 44.6651 0.0000 172.3609 184 Y 4.6653 8.3287 118.4951 56.0657 41.2959 176.4442 185 L 4.1325 8.6641 124.9135 57.2150 42.0391 178.7344 186 E 3.9567 8.1904 115.3871 57.2715 29.9207 177.2165 187 G 3.7808 7.4769 106.8526 44.7619 0.0000 171.4212 188A G 4.3143 9.1184 108.6181 44.8378 0.0000 174.2035 188 K 4.9143 7.2057 117.3085 54.3817 35.0849 175.0541 189 D 4.6512 8.8094 122.9488 53.9516 45.6910 174.5156 190 S 5.0223 8.6184 116.7011 57.8781 65.5117 172.7740 191 C 4.7066 9.1143 118.6029 55.4947 48.0608 172.1643 192 Q 4.2834 8.5454 121.6977 57.9207 28.7572 176.4728 193 G 4.3312 8.6104 112.5053 46.1286 0.0000 174.4868 194 D 4.6442 8.6592 118.8653 55.8704 41.6401 176.5480 195 S 4.3162 7.9552 114.5903 59.8831 63.3929 175.5130 196 G 4.1642 8.9862 113.6175 46.4257 0.0000 173.6337 197 G 4.4697 7.9693 107.5711 44.9610 0.0000 171.2388 198 P 5.0397 0.0000 0.0000 62.4855 33.4583 175.9280 199 V 4.6181 8.4026 120.8781 61.4969 34.3423 173.8428 200 V 4.8732 8.9449 129.1192 61.2567 33.9262 173.7450 201 C 5.1181 8.8457 124.7288 55.7328 43.9941 174.5627 202 S 3.5181 9.8303 119.6599 59.7294 60.1309 173.3677 203 G 3.9236 8.4583 104.6541 45.6052 0.0000 173.8863 204 K 4.7181 7.5406 117.8016 53.0053 35.3890 175.4370 *209 L 4.2266 8.2474 122.0067 55.4792 42.3709 175.9763 210 Q 4.5317 8.8139 125.7962 56.6958 30.8898 175.7331 211 G 5.3918 7.9872 104.5081 45.9263 0.0000 171.4247 212 I 5.0568 8.2033 119.3295 58.9079 41.1584 175.4295 213 V 3.7627 8.8142 127.1762 63.8622 31.7996 174.1647 214 S 4.9361 8.4726 120.7307 58.7219 64.4304 174.2004 215 W 4.9401 7.4078 114.2486 56.3791 31.9356 171.9082 216 G 3.6088 8.0224 104.6405 46.8738 0.0000 172.1997 217 S 4.7429 8.3386 114.9813 56.5103 63.6327 172.8228 *219 G 4.2870 8.1097 118.1835 45.6933 0.0000 171.3024 220 C 5.0458 8.1815 115.9067 56.4429 43.8935 173.5634 221A A 4.3982 8.8665 124.2075 53.1177 16.6496 177.0442 221 Q 4.5847 7.3289 116.5687 56.1090 29.9441 175.8771 222 K 4.1884 8.3987 122.0259 57.8667 32.7136 176.3984 223 N 4.3027 9.4014 122.0230 54.0267 36.9431 175.2956 224 K 4.3449 7.4899 117.0859 53.7736 32.1879 173.6696 225 P 4.5934 0.0000 0.0000 62.2217 33.1184 177.5653 226 G 3.7038 8.4597 106.2385 46.0263 0.0000 172.7358 227 V 4.4458 7.7097 121.7016 60.6899 34.0603 174.1161 228 Y 4.9492 8.3030 124.5919 56.0135 41.9315 175.0472 229 T 4.4642 8.5141 119.2986 63.5873 70.2561 174.4247 230 K 5.1093 9.1910 127.7658 55.1292 31.4545 177.0668 231 V 3.9693 8.7255 125.9714 65.9821 31.3761 174.8526 232 C 4.5008 8.3891 112.5183 58.3315 41.3950 174.8515 233 N 4.2735 7.9843 116.7011 54.3325 38.5754 175.0457 234 Y 4.8345 8.0586 117.7499 57.5473 39.2237 177.5763 235 V 3.6912 8.0466 121.5790 66.3845 31.5939 178.1373 236 S 4.1523 8.0897 114.3856 61.1529 62.7173 176.2489 237 W 4.1783 8.2713 130.6826 60.4471 30.4437 177.8923 238 I 3.0069 8.2902 120.0303 64.2624 36.5542 178.5341 239 K 3.7183 8.1929 119.5758 59.4666 31.7048 179.2762 240 Q 3.8474 7.9835 119.7428 59.3015 28.7535 178.3534 241 T 3.6089 7.2610 116.0421 66.4488 68.4123 176.6258 242 I 2.5598 7.2542 114.8955 63.2592 37.1695 178.0365 243 A 4.0197 7.4133 121.3304 54.0239 18.2060 178.6737 244 S 4.6797 7.2800 111.7448 58.3219 63.2841 174.0758 245 N 4.7032 7.8711 125.3050 53.6147 39.4696 174.1511 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 4.28 1.78 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 1.49 0.86 0.89 0.00 0.00 17 V 8.48 4.38 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 1.03 0.00 0.00 0.88 0.00 0.00 18 G 9.00 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 19 G 7.88 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 0.00 0.00 0.00 20 Y 7.51 4.97 0.00 3.03 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 21 T 8.58 4.31 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 1.23 0.00 0.00 22 C 8.84 4.39 0.00 2.75 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 8.58 4.15 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 0.00 0.00 0.00 24 A 8.54 4.37 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 8.71 4.19 0.00 2.82 2.88 0.00 0.00 7.26 7.58 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 26 T 7.59 4.33 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 1.29 0.00 0.00 27 V 6.96 4.10 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 0.33 0.00 0.00 0.77 0.00 0.00 28 P 0.00 4.52 0.00 2.36 2.36 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 29 Y 6.79 5.18 0.00 3.26 3.38 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 30 Q 7.39 4.63 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.52 0.00 0.00 0.00 0.00 0.00 1.92 2.49 0.00 31 V 8.91 4.83 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 0.91 0.00 0.00 1.10 0.00 0.00 32 S 8.79 4.85 0.00 3.01 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 33 L 8.52 4.76 0.00 0.54 1.06 0.80 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.11 5.97 0.00 2.43 2.49 0.00 0.00 6.59 6.94 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 *37 S 8.42 4.45 0.00 3.68 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 38 G 9.26 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 39 Y 6.42 4.57 0.00 3.08 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 40 H 8.78 4.67 0.00 2.85 3.17 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.72 4.97 0.00 3.21 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 42 C 6.61 4.71 0.00 2.26 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 43 G 8.62 4.36 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 44 G 7.66 4.54 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 0.00 0.00 0.00 45 S 8.83 5.53 0.00 3.82 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 9.03 4.76 0.00 1.88 1.80 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.45 4.39 1.90 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 1.56 0.92 0.96 0.00 0.00 48 N 7.67 4.48 0.00 2.93 2.97 0.00 0.00 6.47 7.58 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 49 S 8.48 4.20 0.00 4.20 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 0.00 50 Q 8.19 4.49 0.00 2.13 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 51 W 8.16 5.54 0.00 3.15 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 9.14 5.13 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 1.16 0.00 0.00 0.99 0.00 0.00 53 V 8.77 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 0.81 0.00 0.00 1.02 0.00 0.00 54 S 9.02 4.85 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 55 A 8.53 4.71 1.27 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 56 A 8.27 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.39 4.59 0.00 3.38 3.58 0.00 5.55 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.76 4.78 0.00 3.24 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 59 Y 7.67 4.28 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.17 3.88 0.00 1.34 1.23 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.81 7.81 61 S 7.98 4.44 0.00 3.73 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.54 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 0.00 0.00 0.00 63 I 7.41 4.55 1.87 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 1.44 1.05 0.93 0.00 0.00 64 Q 8.76 4.80 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 65 V 8.99 4.60 2.18 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 0.71 0.00 0.00 0.91 0.00 0.00 66 R 8.81 5.26 0.00 1.71 1.84 0.00 2.68 0.00 0.00 2.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.26 0.00 67 L 9.23 4.76 0.00 1.59 1.61 0.95 0.72 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 *69 G 8.23 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 0.00 0.00 0.00 0.00 70 E 8.45 4.66 0.00 2.17 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 2.39 2.12 0.00 71 D 7.86 4.75 0.00 2.76 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 8.88 4.84 0.00 2.84 2.79 0.00 0.00 7.23 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 73 I 8.60 3.95 1.45 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 -0.41 0.00 0.00 74 N 8.90 4.79 0.00 2.80 2.88 0.00 0.00 6.56 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 75 V 7.44 4.31 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 0.74 0.00 0.00 1.00 0.00 0.00 76 V 8.47 4.07 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 0.78 0.00 0.00 1.03 0.00 0.00 77 E 9.27 4.37 0.00 2.00 1.98 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 2.30 2.46 0.00 78 G 8.12 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 8.18 4.90 0.00 2.64 2.80 0.00 0.00 7.14 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 7.82 5.48 0.00 1.28 1.64 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 2.70 2.29 0.00 81 Q 8.34 4.31 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 82 F 8.82 5.62 0.00 2.80 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 83 I 9.07 4.70 1.88 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 1.24 0.86 0.95 0.00 0.00 84 S 8.68 4.70 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 8.18 4.74 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 86 S 8.88 4.62 0.00 3.76 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 87 K 7.53 4.65 0.00 1.86 1.90 0.00 1.46 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.48 7.81 88 S 8.79 5.29 0.00 3.99 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 89 I 9.03 4.63 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 1.16 0.00 0.00 90 V 8.43 4.18 1.98 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 0.57 0.00 0.00 0.75 0.00 0.00 91 H 8.64 3.55 0.00 2.84 3.06 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.25 0.00 2.14 2.18 0.00 2.66 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 1.49 1.87 0.00 93 S 7.67 4.72 0.00 3.94 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 94 Y 7.94 4.30 0.00 2.96 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 95 N 8.05 4.60 0.00 2.57 2.43 0.00 0.00 6.56 7.69 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 96 S 7.77 3.93 0.00 3.99 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 97 N 8.15 4.44 0.00 2.76 2.78 0.00 0.00 6.76 7.05 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 98 T 7.64 4.00 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 1.09 0.00 0.00 99 L 7.84 3.67 0.00 1.34 1.87 0.90 1.10 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 0.00 100 N 7.58 4.48 0.00 2.73 2.62 0.00 0.00 7.27 6.59 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 0.00 101 N 8.67 4.68 0.00 3.06 2.64 0.00 0.00 7.24 8.30 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 0.00 102 D 7.91 4.78 0.00 3.10 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 0.00 103 I 7.23 4.82 1.52 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 1.41 1.28 0.14 0.00 0.00 104 M 9.20 5.50 0.00 2.13 1.82 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.65 0.00 105 L 9.18 5.43 0.00 1.76 1.83 0.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.17 5.00 1.93 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 1.20 0.92 0.90 0.00 0.00 107 K 8.75 3.81 0.00 0.79 1.06 0.00 1.35 0.00 0.00 1.36 0.00 0.00 2.62 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.71 0.21 7.81 108 L 7.99 4.59 0.00 1.47 1.57 0.98 1.07 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 0.00 109 K 8.85 4.12 0.00 1.69 1.83 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.37 7.81 110 S 7.74 4.66 0.00 3.77 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 0.00 111 A 8.31 4.47 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 8.71 4.34 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 0.00 113 S 8.84 4.68 0.00 3.75 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 0.00 114 L 8.54 4.59 0.00 1.65 1.62 0.95 1.06 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 0.00 115 N 8.84 4.80 0.00 2.87 2.92 0.00 0.00 6.80 7.18 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 0.00 116 S 8.81 4.00 0.00 3.89 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 0.00 117 R 8.89 4.11 0.00 1.94 1.97 0.00 3.18 0.00 0.00 3.10 7.39 0.00 0.00 0.00 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1.20 0.00 0.00 *127 S 7.55 4.72 0.00 4.00 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 0.00 128 C 8.36 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 7.95 4.43 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 0.00 130 S 8.11 4.18 0.00 3.84 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 *132 A 8.24 4.21 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 8.91 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 0.00 134 T 7.79 3.99 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 1.14 0.00 0.00 135 Q 8.53 4.80 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 136 C 9.21 5.25 0.00 2.74 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 9.01 5.24 0.00 1.75 1.55 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.10 5.32 1.87 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 0.78 1.66 0.99 0.00 0.00 139 S 8.82 4.94 0.00 3.51 3.60 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 0.00 140 G 7.37 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.56 4.60 0.00 3.18 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 0.00 142 G 8.46 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 0.00 143 N 8.08 3.52 0.00 2.19 2.58 0.00 0.00 7.33 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 0.00 144 T 8.19 5.01 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 1.26 0.00 0.00 145 K 7.82 4.63 0.00 1.78 1.71 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.30 7.81 146 S 8.83 4.27 0.00 3.98 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 0.00 147 S 9.02 4.57 0.00 3.86 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 0.00 148 G 6.90 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 0.00 0.00 0.00 149 T 7.69 4.81 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 150 S 9.32 4.47 0.00 3.84 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 0.00 151 Y 8.76 4.78 0.00 2.96 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 0.00 152 P 0.00 4.72 0.00 2.42 2.08 0.00 4.06 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 2.11 2.00 0.00 153 D 8.65 4.95 0.00 2.68 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 7.71 5.51 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 1.08 0.00 0.00 0.97 0.00 0.00 155 L 8.61 3.21 0.00 1.29 1.24 -0.91 0.14 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 8.18 4.90 0.00 1.67 1.48 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.45 7.81 157 C 8.46 5.29 0.00 1.57 2.27 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 0.00 158 L 8.46 4.85 0.00 1.70 1.44 1.04 0.73 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 8.95 5.17 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.63 7.81 160 A 9.19 4.90 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 2.10 0.00 3.13 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 162 I 8.31 4.29 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.53 0.78 0.00 0.00 163 L 8.51 4.92 0.00 1.56 1.60 0.92 0.87 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 7.99 4.37 0.00 4.20 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 0.00 165 D 8.66 4.49 0.00 2.74 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 8.05 4.25 0.00 4.06 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 8.03 4.49 0.00 4.11 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 0.00 168 C 8.17 4.29 0.00 3.22 3.38 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 0.00 169 K 8.41 4.02 0.00 1.83 1.91 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.60 7.81 170 S 8.49 4.27 0.00 4.02 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 0.00 171 A 7.69 3.95 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 7.67 4.84 0.00 3.19 3.16 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 0.00 173 P 0.00 4.57 0.00 2.08 2.03 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 174 G 9.06 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 8.16 4.57 0.00 2.48 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 6.41 0.00 0.00 0.00 0.00 0.00 2.28 2.57 0.00 176 I 7.87 4.48 1.98 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 1.88 0.96 0.99 0.00 0.00 177 T 8.17 4.63 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 1.25 0.00 0.00 178 S 8.55 4.32 0.00 4.01 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 0.00 179 N 8.20 4.95 0.00 3.11 3.10 0.00 0.00 6.59 7.32 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 0.00 180 M 7.84 5.61 0.00 1.77 1.97 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 181 F 8.70 5.10 0.00 3.10 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 0.00 182 C 9.06 5.61 0.00 2.96 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 0.00 183 A 9.33 4.97 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 184A G 6.81 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 0.00 184 Y 8.33 4.67 0.00 3.06 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 0.00 185 L 8.66 4.13 0.00 1.74 1.90 0.92 0.88 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 0.00 186 E 8.19 3.96 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 2.37 2.32 0.00 187 G 7.48 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 0.00 0.00 0.00 0.00 188A G 9.12 4.31 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 0.00 0.00 0.00 188 K 7.21 4.91 0.00 1.64 1.77 0.00 0.75 0.00 0.00 1.26 0.00 0.00 2.36 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.27 7.81 189 D 8.81 4.65 0.00 2.79 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 8.62 5.02 0.00 4.00 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 0.00 191 C 9.11 4.71 0.00 2.94 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 0.00 192 Q 8.55 4.28 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 5.50 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 193 G 8.61 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.66 4.64 0.00 3.01 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 7.96 4.32 0.00 3.96 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 0.00 196 G 8.99 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 0.00 197 G 7.97 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 5.04 0.00 2.32 2.37 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 199 V 8.40 4.62 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 0.83 0.00 0.00 0.77 0.00 0.00 200 V 8.94 4.87 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 0.82 0.00 0.00 0.57 0.00 0.00 201 C 8.85 5.12 0.00 2.77 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 9.83 3.52 0.00 3.93 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 0.00 203 G 8.46 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 0.00 0.00 0.00 204 K 7.54 4.72 0.00 1.72 1.64 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.40 7.81 *209 L 8.25 4.23 0.00 1.51 1.64 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.81 4.53 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.43 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 211 G 7.99 5.39 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 0.00 212 I 8.20 5.06 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 1.31 1.13 1.02 0.00 0.00 213 V 8.81 3.76 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 0.94 0.00 0.00 1.23 0.00 0.00 214 S 8.47 4.94 0.00 3.89 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 0.00 215 W 7.41 4.94 0.00 3.32 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 0.00 216 G 8.02 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 0.00 0.00 0.00 217 S 8.34 4.74 0.00 4.24 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 *219 G 8.11 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 0.00 220 C 8.18 5.05 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 221A A 8.87 4.40 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 0.00 221 Q 7.33 4.58 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 222 K 8.40 4.19 0.00 1.72 1.72 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.56 7.81 223 N 9.40 4.30 0.00 2.83 2.84 0.00 0.00 6.79 8.25 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 0.00 224 K 7.49 4.34 0.00 1.79 1.79 0.00 1.72 0.00 0.00 1.27 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.49 7.81 225 P 0.00 4.59 0.00 2.13 2.10 0.00 3.69 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 226 G 8.46 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 V 7.71 4.45 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 0.30 0.00 0.00 -0.67 0.00 0.00 228 Y 8.30 4.95 0.00 1.43 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 T 8.51 4.46 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 1.22 0.00 0.00 230 K 9.19 5.11 0.00 2.16 1.93 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.66 7.81 231 V 8.73 3.97 2.43 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 1.08 0.00 0.00 1.12 0.00 0.00 232 C 8.39 4.50 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 7.98 4.27 0.00 2.35 2.39 0.00 0.00 6.93 6.99 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 0.00 234 Y 8.06 4.83 0.00 3.22 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 0.00 235 V 8.05 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 8.09 4.15 0.00 3.97 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 0.00 237 W 8.27 4.18 0.00 3.49 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 I 8.29 3.01 2.00 0.00 0.00 1.00 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 1.03 0.73 0.00 0.00 239 K 8.19 3.72 0.00 1.70 1.77 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.55 7.81 240 Q 7.98 3.85 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 241 T 7.26 3.61 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 242 I 7.25 2.56 0.56 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 -0.36 0.00 0.00 243 A 7.41 4.02 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 0.00 244 S 7.28 4.68 0.00 3.75 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 0.00 245 N 7.87 4.70 0.00 3.01 3.02 0.00 0.00 6.93 7.26 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 * Residues marked with a * may have inaccurate shift predictions.