NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5505 8.1776 115.4233 57.8965 64.7301 175.0614 3 V 3.4125 7.8807 121.1119 63.2888 31.6681 174.4778 4 I 4.0990 7.8889 121.8451 60.0038 37.8161 176.6384 5 K 4.6590 8.2504 125.4259 54.1867 33.5472 176.3424 6 P 4.4002 0.0000 0.0000 65.3616 31.3423 175.4044 7 D 5.1714 7.7738 117.7840 52.9296 43.7359 174.9769 8 M 5.0208 9.1800 122.4341 53.5532 36.8294 175.0516 9 K 5.0945 8.8912 120.3168 55.3124 35.4604 175.5562 10 I 5.0819 8.8162 121.4098 59.7656 41.4726 174.9325 11 K 5.0884 8.8907 125.5310 54.5493 35.9340 175.3727 12 L 5.2264 8.8835 123.6871 54.7799 44.8459 174.8938 13 R 5.0387 8.6664 118.7244 55.4646 33.7236 173.0313 14 M 5.1857 9.9011 127.5350 53.8635 35.1152 174.1127 15 E 4.7869 8.6312 124.9741 54.8716 33.1927 175.4681 16 G 4.2311 7.8252 110.2557 46.9850 0.0000 171.3653 17 A 5.5223 8.6786 119.1820 51.3084 23.4683 176.5044 18 V 4.7125 8.4714 120.2995 62.1620 33.8520 175.5743 19 N 4.3687 10.2836 125.6562 54.4415 36.5291 175.6168 20 G 3.8631 8.5894 105.0994 45.6702 0.0000 173.6699 21 H 4.8305 8.0757 118.4106 53.3941 29.6392 172.8985 22 P 5.2352 0.0000 0.0000 63.2467 32.9097 175.0864 23 F 5.1534 8.7254 114.9218 56.6081 42.0077 172.4274 24 A 5.1662 9.1625 119.9501 50.7898 22.8549 175.4422 25 I 5.2086 9.2459 121.7480 59.7686 41.8081 174.3205 26 E 5.2202 9.2764 125.2731 54.8336 33.0836 175.2186 27 G 4.4818 9.0618 108.3091 45.1537 0.0000 171.9544 28 V 4.9664 8.5294 113.1766 59.8496 36.3491 175.2893 29 G 4.3092 8.9162 110.6866 46.0062 0.0000 171.3620 30 L 5.1779 8.5413 118.4568 54.9255 44.3159 174.9766 31 G 3.9780 8.9757 106.2433 45.8620 0.0000 172.5372 32 K 5.3364 8.9906 120.2707 53.1312 32.8660 175.5182 33 P 4.2979 0.0000 0.0000 65.6595 31.3859 178.4669 34 F 4.5206 7.9404 114.6036 59.8023 39.0801 176.0634 35 E 4.3662 8.4304 117.9241 55.8782 30.0836 176.3271 36 G 4.0706 8.2220 107.3957 46.5266 0.0000 173.0275 37 K 5.3531 7.9005 117.5264 54.4866 36.0427 175.2554 38 Q 4.8517 8.6432 119.7665 55.5460 32.3714 173.1568 39 S 5.1264 8.5659 113.8804 57.7844 66.7923 172.7171 40 M 5.0075 8.8120 117.0460 54.7054 35.0000 172.8323 41 D 5.3450 9.2222 120.5346 52.6583 43.6696 175.1978 42 L 5.1042 9.1547 123.8048 52.7907 44.7080 175.6084 43 K 5.1034 8.9553 122.6339 54.3871 35.5636 175.6053 44 V 4.2304 8.6296 125.9455 63.1352 31.3209 175.6523 45 K 4.5479 9.3363 127.6363 57.5169 33.8531 176.7290 46 E 4.6375 7.9661 117.5512 55.6775 34.0621 176.7144 47 G 4.1874 8.6903 109.8212 46.5468 0.0000 173.9544 48 G 3.9073 7.7517 107.9688 43.8329 0.0000 172.0414 49 P 4.4237 0.0000 0.0000 61.5489 32.2437 176.3506 50 L 3.6367 8.3121 122.0578 54.6992 41.6699 175.0620 51 P 4.5514 0.0000 0.0000 62.4200 31.5610 175.0629 52 F 4.9006 6.4206 112.3171 54.4197 41.2735 174.1451 53 A 3.7814 8.4725 124.5873 52.3090 18.4263 178.2058 54 Y 3.7877 8.2107 124.3252 60.8843 38.8377 177.8009 55 D 4.6695 8.2444 119.6990 57.3850 40.6198 178.4785 56 I 4.5019 7.6484 111.8542 63.3258 37.8029 177.4052 57 L 3.9748 8.0610 120.8866 56.1356 41.9440 178.4975 58 T 4.3022 7.8065 108.5889 65.2318 68.5269 175.8220 59 T 4.2783 8.0767 108.9374 62.5055 69.2901 175.1340 60 V 4.2433 7.8412 122.3223 65.4522 32.5234 177.2036 61 F 4.7604 7.3490 117.5723 57.2540 37.2146 176.7182 *65 N 4.5682 7.7139 119.0295 53.3755 38.9473 174.1186 66 R 3.8884 8.2581 124.8037 57.2975 29.9662 178.0423 67 V 3.6441 7.5877 110.0636 64.6077 32.0604 177.1062 68 F 4.5921 7.4975 120.5559 55.4157 37.2463 174.8768 69 A 4.7948 7.3220 121.3991 50.2248 22.8081 176.9831 70 K 4.2240 9.2315 124.8989 56.7141 32.9420 175.0721 71 Y 4.7320 8.5695 125.9220 55.6443 39.3004 174.5958 72 P 4.5573 0.0000 0.0000 62.1847 32.2242 177.3924 73 E 4.0875 8.7781 120.1018 59.2806 29.4777 177.8347 74 N 4.7723 8.1452 113.9124 52.6918 37.7607 174.4915 75 I 4.5310 7.5248 119.8291 59.2356 39.9826 175.5272 76 V 3.4701 8.4953 125.3807 63.1412 31.7040 175.6729 77 D 3.7341 8.2533 126.8913 52.6105 40.6739 175.6493 78 Y 3.6390 7.7122 127.4974 60.2316 38.8732 177.4269 79 F 3.8471 7.2674 118.0440 60.3941 39.0798 177.8750 80 K 4.1485 8.2459 118.0461 59.4653 31.5507 179.5180 81 Q 4.0902 7.4978 118.0616 58.6293 28.7969 178.5061 82 S 3.9800 7.5577 115.0942 59.8378 62.8337 174.5573 83 F 4.9239 6.9869 119.4811 55.6227 39.7479 174.1404 84 P 4.7007 0.0000 0.0000 65.6481 31.5137 177.5678 85 E 3.9366 8.3501 118.4787 58.8803 29.7425 177.0448 86 G 2.9952 9.3566 104.3764 44.4402 0.0000 170.7904 87 Y 5.1360 7.5211 115.8573 56.3389 41.9609 173.4623 88 S 5.0486 9.3351 113.5124 56.4489 67.1151 172.8984 89 W 5.8447 8.5597 116.6736 55.1330 31.9451 173.6402 90 E 5.3128 9.1949 119.5797 55.0065 33.2858 174.8878 91 R 5.1713 9.0738 121.9941 55.1129 34.5145 173.5698 92 S 4.9939 8.8057 119.9441 56.7123 65.9912 172.6377 93 M 4.4085 9.2195 124.2223 53.5814 34.2394 174.6816 94 N 4.9281 8.8495 125.0182 52.1871 40.0943 173.7025 95 Y 4.6476 8.8982 125.2754 57.1406 38.9209 177.1967 96 E 4.0375 8.9783 121.4124 58.8586 29.7105 177.5106 97 D 4.7692 8.4764 117.5469 53.0796 39.6760 177.1929 98 G 3.9587 8.3829 109.5781 45.1522 0.0000 174.6183 99 G 2.8196 7.8563 107.9108 46.0056 0.0000 172.8666 100 I 5.1621 8.2157 124.9273 59.5105 41.0346 174.1295 101 C 5.1075 9.1588 124.3651 57.9320 31.2008 172.5847 102 N 5.3143 8.9234 121.2559 51.4527 40.8795 173.7987 103 A 5.1826 8.9953 124.1875 50.6149 23.3882 174.9565 104 T 4.5999 8.4347 109.0261 59.9832 73.0595 172.6719 105 N 4.7671 7.6803 121.2995 52.2235 42.6053 172.3445 106 D 4.8168 8.7919 126.9478 52.8153 43.0780 174.8544 107 I 5.2235 8.3348 127.8816 59.9398 39.4917 175.1856 108 T 4.9449 9.0554 116.9538 59.6944 72.5390 172.5016 109 L 5.0968 8.6064 122.5834 53.3803 45.0081 175.1961 110 D 4.7168 8.8738 125.6566 52.8755 43.6338 177.9108 111 G 3.8110 9.1412 121.0869 46.5008 0.0000 172.1756 112 D 4.7769 9.1266 121.3509 52.6243 41.7744 174.7845 113 C 5.0210 7.8636 120.4611 57.9593 34.1153 172.6485 114 Y 4.9105 8.9069 124.8910 58.0098 39.1913 174.5258 115 I 4.9021 9.1306 124.5854 59.8355 39.7038 174.0308 116 Y 5.3794 8.8947 124.9294 56.2529 40.8762 174.5104 117 E 4.5394 9.0864 124.9047 54.7723 31.8053 174.3091 118 I 4.8794 8.4631 128.1865 59.4112 40.4798 174.9630 119 R 5.0512 8.5240 125.1439 54.5376 33.5573 173.8006 120 F 5.1487 8.8793 127.1040 56.6381 43.1898 173.0372 121 D 5.1006 8.8691 125.7133 52.8749 44.6851 174.4866 122 G 4.6239 9.3690 111.7264 44.5944 0.0000 171.9927 123 V 4.9103 8.3696 115.5425 59.5452 36.9717 174.8035 124 N 4.3247 8.6661 115.3831 54.3637 35.8598 174.4452 125 F 4.4633 8.0533 116.9829 55.7913 39.6565 174.3937 126 P 4.3498 0.0000 0.0000 62.3394 31.8256 177.2144 127 A 3.9676 8.8278 125.7731 55.1446 18.3410 177.9454 128 N 4.6871 8.0756 110.1797 52.8619 37.9750 175.8563 129 G 3.8593 7.9994 107.4312 43.5553 0.0000 173.1522 130 P 4.1362 0.0000 0.0000 65.3683 30.9128 179.0159 131 V 3.2762 7.2623 117.7416 66.2808 31.4160 177.8832 132 M 4.0681 7.8096 116.2379 57.5776 31.9838 177.5834 133 Q 4.2530 7.8501 115.8924 54.3236 30.3578 175.4304 134 K 3.6608 7.5501 118.4969 58.0709 29.5192 175.0639 135 R 4.6594 8.4558 113.8050 56.1362 31.9181 177.7043 136 T 4.5914 7.7008 109.2955 61.2626 69.9787 174.2686 137 V 4.2339 8.5373 124.1013 63.6079 32.6934 175.6212 138 K 4.3750 7.3327 115.8710 56.0132 36.1503 173.5505 139 W 5.0832 8.9158 120.9643 56.3438 29.9315 176.5561 140 E 4.4641 9.2136 123.8612 55.2778 29.9888 175.0104 141 P 4.6817 0.0000 0.0000 63.1954 32.4963 175.4104 142 S 4.6640 8.9262 115.3918 57.5229 67.3664 172.9209 143 T 4.9629 8.2353 115.5655 61.7179 70.8422 173.4992 144 E 4.4350 9.4179 129.2303 55.5530 31.4071 175.2213 145 K 4.4685 9.3092 126.5641 54.8568 34.3118 175.1586 146 L 5.1945 8.2333 126.0211 52.9904 44.4104 175.2752 147 Y 5.0941 8.1615 120.2150 55.4799 41.7216 174.3607 148 V 4.2285 8.4257 121.1892 62.9623 33.0136 175.5302 149 R 4.4626 9.1199 125.7400 56.6653 33.3331 174.6899 150 D 4.5179 9.8186 125.6685 55.5278 38.4133 174.8947 151 G 3.9276 8.4643 104.8847 45.6875 0.0000 173.3925 152 V 4.5368 7.6429 112.3635 59.2978 36.1589 173.6867 153 L 4.5268 7.8250 122.9514 53.4772 43.7858 175.3039 154 K 4.8462 8.6339 125.7610 54.6008 35.2918 175.5994 155 G 4.6879 8.9144 109.9637 43.7863 0.0000 171.1173 156 D 5.7862 9.3056 125.5111 52.6044 44.7949 175.5438 157 V 4.5215 8.3570 120.5034 60.4568 35.2865 173.2554 158 N 4.8045 8.7459 121.8720 53.0777 38.8827 174.3203 159 M 4.6331 8.8165 124.1276 53.6367 35.3248 175.2880 160 A 5.1835 8.5212 121.5031 50.7913 23.1943 174.8317 161 L 4.9587 9.1710 123.2858 52.9031 43.9845 176.3797 162 S 4.6053 9.1160 119.6518 58.2901 64.5764 173.3146 163 L 4.9409 8.2497 122.2788 53.1632 43.7555 177.4999 164 E 3.8455 9.0387 122.4878 59.8492 29.4342 178.9722 165 G 3.7211 7.9009 103.4921 45.6311 0.0000 173.6118 166 G 3.7982 7.8021 106.5422 45.7787 0.0000 174.7348 167 G 3.8820 8.7714 107.1442 44.7741 0.0000 171.7335 168 H 5.4262 8.3837 113.6353 54.1079 33.2662 172.9406 169 Y 5.0658 9.1645 121.8209 56.1641 40.9681 174.9175 170 R 4.8399 9.6452 126.9505 56.0232 32.1361 175.4590 171 C 4.8948 9.0864 121.9328 58.0028 35.7074 172.1190 172 D 5.3116 8.9988 125.7268 52.7722 42.9996 175.2093 173 F 5.1788 9.0147 122.8296 56.0809 41.5809 175.4441 174 K 5.0009 8.6251 121.2489 54.2461 35.5696 175.2779 175 T 4.9873 9.1074 122.3799 61.7524 72.0127 173.7136 176 T 4.7573 8.6220 121.4087 62.0134 71.6021 172.4685 177 Y 5.4444 9.3172 124.9786 56.4158 40.7426 175.1761 178 K 4.9405 9.8004 122.6912 54.4639 35.4466 175.6586 179 A 4.4428 9.5300 128.4842 51.6789 19.1347 178.4031 180 K 4.0054 8.6900 120.4590 57.5810 32.4832 176.9629 181 K 4.5807 7.0871 117.4080 54.4197 35.7683 176.0396 182 V 3.6436 8.2083 119.3907 62.9873 31.5415 175.4450 183 V 4.4210 7.7979 119.2981 58.8500 35.3282 175.0029 184 Q 4.0381 8.3372 122.6578 56.0521 29.3461 175.4965 185 L 4.4005 8.3551 125.8413 53.4004 42.6469 175.0294 186 P 4.5531 0.0000 0.0000 62.0926 32.4910 175.2796 187 D 4.7096 8.1865 119.2691 52.9645 42.0603 175.6859 188 Y 4.2947 8.4505 121.5919 59.0965 39.1472 174.9585 189 H 4.5165 8.1091 120.6800 54.6900 32.7935 171.7594 190 F 5.2711 8.9895 116.0214 55.7244 43.4159 175.0694 191 V 4.5236 8.5543 119.7316 61.4112 34.5570 174.1413 192 D 5.1064 9.1011 129.1245 54.5098 42.1764 175.4766 193 H 5.3673 9.3982 119.0115 54.7643 33.6833 172.8548 194 H 4.9659 8.7887 120.2226 56.0085 31.9772 171.4662 195 I 5.1184 8.4286 125.7337 59.3874 39.8735 174.3888 196 E 4.8807 9.3083 127.4637 55.0019 34.4444 174.5462 197 I 4.6001 8.4897 124.5517 60.3366 37.0997 175.8335 198 K 4.3335 8.8504 128.7940 59.1847 32.6644 177.8904 199 S 4.7440 7.7874 112.1260 57.8573 65.9476 173.4216 200 H 5.5023 8.2649 114.6179 55.6357 30.9220 172.9652 201 D 4.3946 8.2271 120.2821 52.1199 41.3264 176.7095 202 K 3.6403 8.6487 119.3251 59.6698 31.9290 176.6402 203 D 4.8091 7.9036 114.9042 52.9937 39.5380 175.7355 204 Y 3.3270 7.6899 114.5460 59.4981 36.0595 171.1285 205 S 4.3629 8.0279 117.3282 60.6479 63.9370 173.5775 206 N 5.5509 9.0512 117.6091 51.2694 42.0227 173.9279 207 V 4.6707 8.7119 122.9746 61.0242 35.6282 173.3701 208 N 5.2639 9.2638 126.8121 52.0122 40.7100 172.8958 209 L 5.3446 8.9838 129.0405 53.8095 45.0502 174.7702 210 H 5.4660 9.2001 120.7629 54.3720 33.6751 172.0206 211 E 5.2010 9.0150 120.8880 55.2752 33.6411 173.1555 212 H 5.5461 9.3372 125.8930 54.4202 32.9116 172.0275 213 A 5.4893 9.3821 126.9077 49.2701 22.8103 174.4546 214 E 4.9699 8.4571 119.5380 54.5908 33.7336 174.8234 215 A 4.7783 8.6349 126.9279 51.7777 20.0329 175.9656 216 H 4.9544 8.7186 114.3654 54.8175 32.2754 172.6998 217 S 5.1122 8.3587 113.2305 57.0714 65.9873 172.8999 218 E 3.7432 9.1181 117.6577 57.3913 25.3746 174.8031 219 L 4.1879 7.5664 117.4030 53.6338 43.0297 176.2218 220 P 4.3363 0.0000 0.0000 63.0689 31.1976 176.5066 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 2 S 8.18 4.55 0.00 4.05 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.88 3.41 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 0.82 0.00 0.00 0.96 0.00 0.00 4 I 7.89 4.10 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.46 0.00 0.00 5 K 8.25 4.66 0.00 1.80 1.77 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.36 7.81 6 P 0.00 4.40 0.00 2.34 2.48 0.00 3.74 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 2.16 2.07 0.00 7 D 7.77 5.17 0.00 2.55 2.64 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 8 M 9.18 5.02 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.40 0.00 9 K 8.89 5.09 0.00 1.66 1.72 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.54 7.81 10 I 8.82 5.08 1.89 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 1.53 1.03 0.53 0.00 0.00 11 K 8.89 5.09 0.00 1.59 1.61 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.32 7.81 12 L 8.88 5.23 0.00 1.96 1.62 1.20 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.67 5.04 0.00 1.95 1.81 0.00 3.26 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 14 M 9.90 5.19 0.00 2.42 2.10 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 15 E 8.63 4.79 0.00 1.87 1.70 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 2.17 2.20 0.00 16 G 7.83 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 17 A 8.68 5.52 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 18 V 8.47 4.71 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.25 0.00 0.00 19 N 10.28 4.37 0.00 2.96 2.96 0.00 0.00 7.18 7.24 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 20 G 8.59 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 21 H 8.08 4.83 0.00 3.55 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 5.24 0.00 2.17 2.22 0.00 3.87 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 23 F 8.73 5.15 0.00 3.42 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 24 A 9.16 5.17 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 I 9.25 5.21 2.33 0.00 0.00 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 1.51 1.47 1.03 0.00 0.00 26 E 9.28 5.22 0.00 1.91 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 2.26 2.27 0.00 27 G 9.06 4.48 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 0.00 0.00 0.00 28 V 8.53 4.97 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 0.67 0.00 0.00 0.90 0.00 0.00 29 G 8.92 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 30 L 8.54 5.18 0.00 1.81 1.71 0.92 0.51 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 31 G 8.98 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 32 K 8.99 5.34 0.00 1.76 1.89 0.00 1.76 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.70 1.29 7.81 33 P 0.00 4.30 0.00 1.40 1.69 0.00 3.93 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 34 F 7.94 4.52 0.00 3.13 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 35 E 8.43 4.37 0.00 2.17 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 0.00 2.35 2.42 0.00 36 G 8.22 4.07 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 0.00 0.00 0.00 37 K 7.90 5.35 0.00 1.70 1.67 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.48 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.55 7.81 38 Q 8.64 4.85 0.00 1.51 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 39 S 8.57 5.13 0.00 3.51 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 M 8.81 5.01 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 41 D 9.22 5.34 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 9.15 5.10 0.00 1.47 1.34 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.96 5.10 0.00 1.64 1.68 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.32 7.81 44 V 8.63 4.23 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 0.90 0.00 0.00 1.15 0.00 0.00 45 K 9.34 4.55 0.00 1.68 1.88 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.58 7.81 46 E 7.97 4.64 0.00 2.01 1.84 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 2.33 2.36 0.00 47 G 8.69 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 48 G 7.75 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.42 0.00 2.16 2.05 0.00 3.77 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 1.95 1.97 0.00 50 L 8.31 3.64 0.00 1.18 0.39 0.64 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.55 0.00 2.17 2.09 0.00 3.46 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 2.11 1.97 0.00 52 F 6.42 4.90 0.00 2.81 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 53 A 8.47 3.78 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 54 Y 8.21 3.79 0.00 2.43 2.63 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 55 D 8.24 4.67 0.00 2.57 2.38 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 56 I 7.65 4.50 2.20 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.36 0.76 0.00 0.00 57 L 8.06 3.97 0.00 1.48 1.11 0.40 -0.68 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 58 T 7.81 4.30 4.59 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 1.73 0.00 0.00 59 T 8.08 4.28 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 0.84 0.00 0.00 60 V 7.84 4.24 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 0.95 0.00 0.00 1.25 0.00 0.00 61 F 7.35 4.76 0.00 3.52 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 *65 N 7.71 4.57 0.00 2.75 3.15 0.00 0.00 6.69 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 66 R 8.26 3.89 0.00 0.78 0.66 0.00 3.21 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.11 0.00 67 V 7.59 3.64 1.72 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 0.97 0.00 0.00 -0.20 0.00 0.00 68 F 7.50 4.59 0.00 3.22 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 69 A 7.32 4.79 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 70 K 9.23 4.22 0.00 1.96 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.72 7.81 71 Y 8.57 4.73 0.00 3.03 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 72 P 0.00 4.56 0.00 2.41 2.01 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 73 E 8.78 4.09 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 2.35 2.35 0.00 74 N 8.15 4.77 0.00 2.86 2.95 0.00 0.00 5.82 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.52 4.53 2.08 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 1.23 0.74 0.97 0.00 0.00 76 V 8.50 3.47 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 0.77 0.00 0.00 0.92 0.00 0.00 77 D 8.25 3.73 0.00 2.45 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.71 3.64 0.00 2.48 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 0.00 0.00 0.00 79 F 7.27 3.85 0.00 3.03 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 80 K 8.25 4.15 0.00 1.77 1.87 0.00 1.77 0.00 0.00 1.47 0.00 0.00 2.42 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.34 1.48 7.81 81 Q 7.50 4.09 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 82 S 7.56 3.98 0.00 3.88 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 83 F 6.99 4.92 0.00 3.19 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 84 P 0.00 4.70 0.00 2.26 2.27 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 85 E 8.35 3.94 0.00 2.05 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 2.29 2.38 0.00 86 G 9.36 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 0.00 0.00 0.00 87 Y 7.52 5.14 0.00 3.12 2.85 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 88 S 9.34 5.05 0.00 3.80 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 W 8.56 5.84 0.00 3.23 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 90 E 9.19 5.31 0.00 1.90 1.81 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 2.16 2.20 0.00 91 R 9.07 5.17 0.00 1.80 1.83 0.00 2.51 0.00 0.00 2.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.41 0.00 92 S 8.81 4.99 0.00 3.83 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 93 M 9.22 4.41 0.00 1.59 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.81 0.00 94 N 8.85 4.93 0.00 2.76 2.68 0.00 0.00 6.89 7.42 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 95 Y 8.90 4.65 0.00 3.26 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 96 E 8.98 4.04 0.00 2.14 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 2.52 2.48 0.00 97 D 8.48 4.77 0.00 2.92 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 98 G 8.38 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 99 G 7.86 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 0.00 0.00 0.00 100 I 8.22 5.16 1.77 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 1.29 1.04 0.84 0.00 0.00 101 C 9.16 5.11 0.00 2.89 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.92 5.31 0.00 2.42 2.56 0.00 0.00 6.23 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.00 5.18 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 0.00 104 T 8.43 4.60 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 1.08 0.00 0.00 105 N 7.68 4.77 0.00 1.44 1.42 0.00 0.00 6.91 7.97 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 0.00 106 D 8.79 4.82 0.00 2.71 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.33 5.22 1.68 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.27 1.32 0.00 0.00 108 T 9.06 4.94 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 1.26 0.00 0.00 109 L 8.61 5.10 0.00 1.94 1.95 0.40 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.87 4.72 0.00 2.78 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 9.14 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 0.00 0.00 0.00 112 D 9.13 4.78 0.00 2.61 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 0.00 113 C 7.86 5.02 0.00 2.96 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 0.00 114 Y 8.91 4.91 0.00 3.14 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 0.00 115 I 9.13 4.90 1.98 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 1.29 1.06 0.97 0.00 0.00 116 Y 8.89 5.38 0.00 2.89 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 0.00 117 E 9.09 4.54 0.00 2.04 1.77 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 2.16 2.24 0.00 118 I 8.46 4.88 2.05 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.78 0.89 0.00 0.00 119 R 8.52 5.05 0.00 1.81 1.60 0.00 3.23 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.63 0.00 120 F 8.88 5.15 0.00 3.07 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 0.00 121 D 8.87 5.10 0.00 2.43 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 0.00 122 G 9.37 4.62 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 0.00 0.00 0.00 123 V 8.37 4.91 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 0.69 0.00 0.00 0.85 0.00 0.00 124 N 8.67 4.32 0.00 2.80 2.80 0.00 0.00 6.93 7.45 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 0.00 125 F 8.05 4.46 0.00 3.20 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 0.00 126 P 0.00 4.35 0.00 2.21 2.00 0.00 3.84 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 127 A 8.83 3.97 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 0.00 128 N 8.08 4.69 0.00 2.80 2.92 0.00 0.00 5.99 7.00 0.00 0.00 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 G 8.00 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 0.00 130 P 0.00 4.14 0.00 1.85 2.00 0.00 3.35 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.94 0.00 131 V 7.26 3.28 1.65 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 0.35 0.00 0.00 0.57 0.00 0.00 132 M 7.81 4.07 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 133 Q 7.85 4.25 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 134 K 7.55 3.66 0.00 1.79 1.72 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.17 1.33 7.81 135 R 8.46 4.66 0.00 1.57 1.81 0.00 3.05 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 1.49 1.62 0.00 136 T 7.70 4.59 4.07 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 1.09 0.00 0.00 137 V 8.54 4.23 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 0.82 0.00 0.00 0.91 0.00 0.00 138 K 7.33 4.37 0.00 1.97 1.91 0.00 1.44 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.40 7.81 139 W 8.92 5.08 0.00 3.28 3.13 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 0.00 140 E 9.21 4.46 0.00 1.93 1.91 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 2.49 2.48 0.00 141 P 0.00 4.68 0.00 1.86 1.85 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.62 0.00 142 S 8.93 4.66 0.00 3.72 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 0.00 143 T 8.24 4.96 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 1.24 0.00 0.00 144 E 9.42 4.44 0.00 2.05 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 2.30 2.42 0.00 145 K 9.31 4.47 0.00 1.92 1.67 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.65 1.81 7.81 146 L 8.23 5.19 0.00 0.99 1.28 0.77 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 0.00 147 Y 8.16 5.09 0.00 3.10 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 0.00 148 V 8.43 4.23 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 0.90 0.00 0.00 149 R 9.12 4.46 0.00 1.92 1.61 0.00 3.39 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 1.55 1.64 0.00 150 D 9.82 4.52 0.00 2.82 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 0.00 151 G 8.46 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.64 4.54 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 0.75 0.00 0.00 0.93 0.00 0.00 153 L 7.82 4.53 0.00 0.54 0.76 0.67 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 154 K 8.63 4.85 0.00 0.79 1.06 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.01 1.11 7.81 155 G 8.91 4.69 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 0.00 156 D 9.31 5.79 0.00 2.74 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 0.00 157 V 8.36 4.52 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 0.43 0.00 0.00 0.75 0.00 0.00 158 N 8.75 4.80 0.00 2.58 2.77 0.00 0.00 6.91 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 0.00 159 M 8.82 4.63 0.00 1.32 1.41 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.51 0.00 160 A 8.52 5.18 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 0.00 161 L 9.17 4.96 0.00 1.70 1.45 0.76 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 162 S 9.12 4.61 0.00 3.81 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 0.00 163 L 8.25 4.94 0.00 1.79 1.55 0.91 0.86 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 0.00 164 E 9.04 3.85 0.00 1.90 2.00 0.00 0.00 0.00 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 2.38 0.00 165 G 7.90 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 0.00 0.00 0.00 166 G 7.80 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 0.00 167 G 8.77 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 0.00 168 H 8.38 5.43 0.00 3.02 3.25 0.00 5.84 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 0.00 169 Y 9.16 5.07 0.00 2.91 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 0.00 170 R 9.65 4.84 0.00 1.85 1.81 0.00 3.54 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 171 C 9.09 4.89 0.00 2.47 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 0.00 172 D 9.00 5.31 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 9.01 5.18 0.00 2.88 2.74 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 0.00 174 K 8.63 5.00 0.00 1.64 1.65 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.25 7.81 175 T 9.11 4.99 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 0.27 0.00 0.00 176 T 8.62 4.76 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 1.17 0.00 0.00 177 Y 9.32 5.44 0.00 2.82 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 0.00 178 K 9.80 4.94 0.00 1.73 1.78 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 179 A 9.53 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.69 4.01 0.00 1.80 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.42 7.81 181 K 7.09 4.58 0.00 1.89 1.67 0.00 1.55 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.23 7.81 182 V 8.21 3.64 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 0.79 0.00 0.00 0.91 0.00 0.00 183 V 7.80 4.42 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 0.55 0.00 0.00 0.36 0.00 0.00 184 Q 8.34 4.04 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 185 L 8.36 4.40 0.00 1.68 1.58 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.55 0.00 2.17 2.19 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 187 D 8.19 4.71 0.00 2.74 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 0.00 188 Y 8.45 4.29 0.00 2.94 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 0.00 189 H 8.11 4.52 0.00 3.29 3.28 0.00 5.26 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 F 8.99 5.27 0.00 2.52 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 0.00 191 V 8.55 4.52 1.99 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 0.67 0.00 0.00 0.80 0.00 0.00 192 D 9.10 5.11 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.40 5.37 0.00 2.91 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 H 8.79 4.97 0.00 3.13 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 I 8.43 5.12 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 1.05 0.00 0.00 196 E 9.31 4.88 0.00 1.93 1.81 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 2.28 2.23 0.00 197 I 8.49 4.60 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.71 0.98 0.00 0.00 198 K 8.85 4.33 0.00 1.84 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.14 7.81 199 S 7.79 4.74 0.00 3.77 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 0.00 200 H 8.26 5.50 0.00 2.57 3.02 0.00 5.32 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.23 4.39 0.00 2.68 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 0.00 202 K 8.65 3.64 0.00 1.66 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 203 D 7.90 4.81 0.00 2.84 2.73 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 0.00 204 Y 7.69 3.33 0.00 3.07 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 0.00 205 S 8.03 4.36 0.00 4.07 4.07 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 0.00 206 N 9.05 5.55 0.00 2.66 2.59 0.00 0.00 6.25 8.28 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 0.00 207 V 8.71 4.67 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 0.84 0.00 0.00 0.23 0.00 0.00 208 N 9.26 5.26 0.00 2.74 2.66 0.00 0.00 6.43 6.22 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 0.00 209 L 8.98 5.34 0.00 1.87 1.54 1.18 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 210 H 9.20 5.47 0.00 3.13 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 E 9.01 5.20 0.00 2.10 1.78 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 2.30 2.35 0.00 212 H 9.34 5.55 0.00 3.29 3.14 0.00 5.77 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 0.00 213 A 9.38 5.49 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 E 8.46 4.97 0.00 1.82 1.77 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 2.33 2.26 0.00 215 A 8.63 4.78 0.27 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 0.00 216 H 8.72 4.95 0.00 3.27 3.37 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.36 5.11 0.00 3.96 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 0.00 218 E 9.12 3.74 0.00 2.25 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 2.26 2.43 0.00 219 L 7.57 4.19 0.00 1.51 1.43 0.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 220 P 0.00 4.34 0.00 2.00 1.93 0.00 3.69 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 2.00 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.