NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.3024 8.1693 120.6290 54.6029 44.0488 177.3698 22 T 4.2051 7.8797 109.9652 59.6220 71.2648 173.2573 23 P 4.1896 0.0000 0.0000 65.7285 31.8828 179.8893 24 A 3.9874 8.0170 118.9922 55.4963 18.2978 179.4651 25 E 3.9671 8.0390 116.7480 59.1182 29.5172 179.2804 26 L 3.9390 8.0490 120.7986 58.3313 42.1897 179.1962 27 I 3.7065 7.9365 119.7468 64.3456 37.0111 178.2673 28 E 4.0034 8.1385 119.3137 59.4761 29.2926 179.6086 29 R 3.9155 8.1274 118.0819 59.0207 30.0348 178.8021 30 L 3.7360 7.7644 119.8462 58.3548 42.0930 178.8644 31 E 4.1632 8.2457 118.3996 59.4401 29.2667 179.2662 32 Q 4.1967 8.4752 120.7191 58.6949 29.1123 178.2556 33 A 3.9139 7.9184 121.7915 54.6444 18.3771 179.2350 34 W 4.2894 8.2910 127.2362 61.1113 30.6433 178.1770 35 M 3.5822 8.3200 118.5239 58.3615 31.3867 178.5688 36 N 4.4665 8.4314 116.8619 56.3226 38.4783 177.1533 37 E 3.9753 8.4304 120.2693 59.1380 29.8335 178.5352 38 K 3.7274 7.4884 117.5467 58.8588 32.0474 178.3855 39 F 4.7799 7.2126 115.1803 56.9344 40.1636 176.3604 40 A 3.8304 7.7237 123.1931 51.1624 18.6302 176.4182 41 P 4.2413 0.0000 0.0000 63.5946 31.8986 175.4617 42 E 4.4659 6.8291 116.4131 53.6627 32.5135 175.0138 43 L 4.0770 8.1869 121.3400 54.8629 42.4833 176.6703 44 L 4.5394 8.3985 126.5944 53.0614 43.2230 176.1480 45 E 4.2449 8.4986 118.9200 56.6951 29.8259 177.4196 46 S 4.3466 8.6683 117.3891 58.4403 63.7050 174.6754 47 K 4.9527 8.5997 123.8857 53.0404 32.3664 174.9546 48 P 4.2892 0.0000 0.0000 66.0160 31.5380 178.4458 49 E 3.9510 8.2305 117.0080 58.9601 29.3170 179.2098 50 I 3.7778 7.6409 120.2094 64.0960 37.4309 178.0072 51 V 3.5937 7.7159 119.0833 66.0485 31.2501 177.4634 52 E 3.9052 8.3454 118.8747 59.7933 29.5573 178.6005 53 C 4.1229 7.8208 116.6560 62.8392 28.0960 176.4434 54 V 3.6497 7.8802 119.9608 66.0840 31.0529 178.0668 55 M 4.0786 8.1803 118.6520 58.2048 31.7716 178.5949 56 E 3.8608 8.5346 119.0943 59.5949 29.7038 179.1544 57 Q 4.0831 8.0950 117.9508 59.1988 28.7851 179.4389 58 L 3.9803 7.9290 119.6439 57.7296 41.6793 179.2825 59 E 3.8979 8.2700 118.5517 59.7892 29.4152 178.9659 60 H 4.1295 8.4927 116.2821 59.3483 28.6345 177.4462 61 M 3.9816 7.9813 118.4073 58.7169 32.0983 177.4423 62 E 4.0444 8.4175 118.9536 59.1625 29.9147 178.2703 63 E 4.0513 8.2525 119.3370 59.4227 29.6190 178.2950 64 N 4.2488 8.0851 115.1540 55.0354 38.8718 175.6114 65 L 3.9418 6.9611 120.7486 54.8177 42.4938 176.2773 *72 D 4.6525 8.7193 122.2957 54.2194 43.1018 177.1763 73 L 4.0217 7.7751 119.7556 57.9952 42.0747 178.8436 74 K 4.0297 8.0597 118.1185 59.1200 31.8701 179.3525 75 V 3.5941 7.6731 118.7272 66.2868 31.4399 178.4023 76 S 4.1353 8.0572 114.2224 61.4797 62.6482 176.6705 77 I 3.7875 7.7398 122.8614 64.4717 36.7775 178.1206 78 H 4.1418 8.2976 117.1422 59.0234 28.6869 177.9727 79 Q 4.0202 8.4158 119.8284 58.8217 28.5510 178.8178 80 M 4.0462 7.7113 120.3307 58.3370 32.0769 178.2849 81 E 3.9415 8.1078 119.4218 59.5169 29.7049 178.6169 82 M 4.0748 8.3827 119.0711 58.5596 32.0237 178.6250 83 E 3.9893 8.1006 118.1605 59.3582 29.4757 179.5999 84 R 3.9317 7.7848 117.6954 59.4076 30.2419 179.2542 85 I 3.6743 7.8264 119.6084 64.2049 37.0945 178.4720 86 R 3.8670 8.3607 120.0918 59.3314 29.7820 177.9997 87 Y 3.9418 8.0346 119.4163 60.6429 38.7784 178.1224 88 V 2.4282 7.1798 119.2204 65.3810 31.4071 177.6047 89 L 3.9044 7.5178 119.6599 58.3525 41.9462 178.9283 90 S 4.0156 7.8879 114.9272 61.7219 62.7033 176.8343 91 S 3.9524 7.7190 115.6694 61.4297 62.1453 175.5174 92 Y 4.3752 8.1487 122.3165 60.9703 38.6981 178.1579 93 L 3.6332 8.2481 120.2462 57.5149 41.7543 179.7238 94 R 3.7931 8.2623 118.6058 59.2951 29.8753 178.5691 95 C 4.0609 8.2815 118.7458 62.5953 31.5077 175.8983 96 R 3.8553 7.7132 119.5348 59.1252 29.4763 179.0622 97 L 3.8563 7.6826 118.8809 57.7438 41.4485 179.3998 98 M 3.9691 7.8451 116.6740 58.2780 31.1411 178.8966 99 K 3.9675 7.8557 119.4447 59.2043 31.9769 179.3960 100 I 3.8276 7.9318 120.1990 64.4880 36.7925 178.4078 101 E 3.2013 8.0824 118.7094 58.8783 29.2636 178.9650 102 K 3.9221 7.9243 119.1705 58.4685 32.3310 177.6044 103 F 4.9694 7.6894 116.5363 57.1737 39.9646 177.3130 104 F 4.2170 8.1707 120.0734 60.1764 37.3440 175.7823 105 P 4.2646 0.0000 0.0000 65.4094 31.2781 178.2859 106 H 4.6396 8.2049 115.1440 58.4520 28.5308 178.0782 107 V 3.7086 7.8250 120.0685 65.9527 31.5246 177.9678 108 L 4.0978 8.0314 118.6844 57.7726 41.4552 179.0811 109 E 3.9660 8.5182 119.3971 58.9764 29.3123 178.8084 110 K 4.0246 7.9426 118.9717 59.3534 32.5706 178.1901 111 E 4.0911 8.1295 119.4171 59.0453 29.3402 178.6003 112 K 3.9974 8.0348 119.1251 59.0607 32.2646 177.9309 113 T 4.5895 7.2357 106.7002 60.2892 69.2091 174.2561 114 R 4.0328 7.2542 122.6528 55.5270 30.5975 174.6205 115 P 4.3328 0.0000 0.0000 62.2560 31.9512 175.3434 116 E 4.1099 8.6456 122.3776 57.5176 30.0257 175.3027 117 G 4.2064 9.1326 116.4510 46.3507 0.0000 174.2029 118 E 4.1135 7.6841 119.2261 54.8023 30.2331 174.6475 119 P 4.3696 0.0000 0.0000 62.5634 32.1718 176.3880 120 S 4.4346 8.4851 116.8549 58.2483 63.1606 174.3004 121 S 4.8110 8.5151 120.2896 58.3874 63.0029 174.1301 122 L 4.9542 7.8353 120.5045 52.1551 45.3662 177.1735 123 S 4.5455 8.9700 118.2811 57.0684 65.6088 173.6311 124 P 4.2822 0.0000 0.0000 65.9452 30.9918 178.8940 125 E 4.0258 8.0914 116.7919 59.5156 29.4407 179.0618 126 E 4.0399 8.3202 118.6467 59.0649 29.3525 179.1780 127 L 3.9795 8.1541 120.3303 58.0534 42.1621 178.7777 128 A 4.0079 7.8716 120.1837 55.2411 18.3729 179.1556 129 F 4.0014 8.4334 118.8509 61.5746 39.4074 177.2083 130 A 4.0861 8.5617 120.5101 55.1568 18.1721 179.7381 131 R 3.9108 8.3279 116.8026 59.6609 30.1632 179.1585 132 E 3.8990 8.3008 118.3009 59.2282 29.4042 179.2035 133 F 3.5578 8.0472 120.6746 61.1933 39.3595 176.7359 134 M 3.9142 8.0840 117.4748 58.6323 32.0436 177.8320 135 A 3.9488 8.0292 120.7722 55.2434 18.5443 179.0101 136 N 4.1025 8.0700 115.4272 57.2490 38.9054 177.2611 137 T 3.7360 7.4775 116.9921 66.3386 68.4625 176.5846 138 E 3.9414 8.5351 121.7701 59.2684 29.7195 178.8137 139 S 4.0430 8.3198 113.4984 61.4719 62.6003 175.4120 140 Y 3.9858 8.1066 122.2280 60.8101 38.6859 178.1327 141 L 3.9023 8.3062 120.1094 57.4173 41.6468 179.5671 142 K 3.8637 8.1417 119.6188 59.7550 32.0497 178.8610 143 N 4.2710 7.8978 115.1408 55.8094 38.4562 177.0956 144 V 3.7896 7.1925 118.1252 64.4472 31.9763 176.0417 145 A 4.6206 7.4414 118.1859 53.7050 23.2406 177.6228 146 L 3.9901 7.9268 115.7538 57.8833 41.7347 180.1215 147 K 4.0138 7.9123 115.8045 59.4139 32.5387 177.2189 148 H 4.6830 7.8847 115.4170 55.9503 28.7794 174.7269 149 M 4.5081 7.4799 119.8486 52.6966 33.9064 174.0790 150 P 4.4066 0.0000 0.0000 62.2431 32.0150 175.8790 151 P 4.2152 0.0000 0.0000 65.4720 31.2709 177.0614 152 N 4.8553 8.0481 112.3307 52.6492 37.5223 174.7762 153 L 4.8520 7.9829 117.7539 55.1346 43.0185 177.2561 154 Q 4.3013 8.3089 117.6980 55.9704 29.6090 175.7064 155 K 4.4018 7.9332 117.6710 54.5251 33.1657 175.5155 156 V 4.1853 8.1423 124.1770 60.7042 33.0446 175.0142 157 D 4.4884 8.5942 126.6813 54.2897 41.8144 176.5164 158 L 4.0592 8.5654 128.3349 57.4440 41.6117 179.0135 159 F 4.0466 8.4495 119.6072 60.4488 39.3943 176.0586 160 R 4.2758 7.9127 116.4670 58.1179 30.7019 177.5771 161 A 4.1221 8.1751 120.0335 53.2352 18.6821 177.6681 162 V 4.1502 7.1373 117.0133 60.4842 32.7794 174.0222 163 P 4.3466 0.0000 0.0000 62.6559 31.7810 176.3623 164 K 4.1835 8.1062 121.3633 54.3130 33.4338 174.8794 165 P 3.8103 0.0000 0.0000 62.5075 31.5309 176.3176 166 D 4.5932 8.2976 122.0168 52.8642 40.7955 176.1673 167 L 4.3638 8.2662 126.8173 56.2452 42.1850 177.2855 168 D 4.7228 8.1837 119.0031 54.6991 41.5053 176.2814 169 S 4.9262 7.7720 114.3644 57.2384 65.4114 174.0256 170 Y 4.6339 8.7098 120.9546 58.1082 39.0235 175.0016 171 V 4.6506 8.7372 114.3727 60.2295 36.8947 173.7253 172 F 5.3523 8.7586 120.1473 55.9257 41.8466 174.8589 173 L 4.9960 8.8931 121.3337 54.3463 44.7851 174.7256 174 R 5.0312 9.1902 119.8625 54.3574 33.0489 174.4834 175 V 3.9833 8.9223 127.6647 63.2701 31.9425 176.4806 176 R 4.3832 8.9116 127.3051 57.5238 31.2186 177.0017 177 E 4.7082 7.8287 117.2938 53.9030 33.6388 175.3975 178 R 4.2783 8.8824 124.1533 57.5218 30.6984 175.4893 179 Q 4.6933 9.1259 123.4788 54.3012 33.2386 173.9249 180 E 5.0698 8.5005 120.5319 53.8299 33.7109 175.0119 181 N 4.0696 8.5997 116.0820 54.5066 36.6957 175.0923 182 I 4.2550 8.2222 118.8942 59.8701 39.5296 176.5411 183 L 4.6027 8.3725 129.6633 54.1672 42.9667 175.6085 184 V 3.8902 8.1603 127.1026 61.6196 33.0615 174.3773 185 E 4.8313 8.3861 127.5506 53.0782 29.9398 173.8279 186 P 4.5723 0.0000 0.0000 65.1251 32.3915 175.7672 187 D 4.3309 7.5117 119.2107 53.2368 40.9493 175.8082 188 T 4.1243 8.5557 107.9000 61.9824 69.6974 174.7625 189 D 4.6049 8.6493 124.1200 52.7452 40.2711 176.0147 190 E 4.2901 8.7688 127.3847 59.4456 29.7128 180.0241 191 Q 4.0972 8.0743 116.1993 58.3836 28.8411 177.1446 192 R 4.4062 8.1962 115.3352 56.4994 30.3587 176.4073 193 D 4.9459 7.9048 119.9932 54.6482 42.0327 174.9928 194 Y 4.8582 8.1126 119.1953 55.8960 41.9310 173.8700 195 V 4.6101 8.4267 119.8106 62.1761 33.4166 174.7802 196 I 4.9046 8.8524 125.2402 59.9361 42.1358 173.6394 197 D 5.1520 8.6367 122.6267 52.5844 44.2513 175.3458 198 L 4.5359 8.7614 123.2644 53.3587 43.4848 175.6924 199 E 4.7441 8.3190 123.9129 54.5752 31.5927 176.2438 200 K 4.0522 8.5346 124.0929 58.1542 32.6179 176.8587 201 G 4.0548 9.1216 115.9598 45.2627 0.0000 173.7709 202 S 4.5039 7.8220 114.2849 58.3405 64.6542 173.1983 203 Q 5.2516 8.4417 118.7761 54.6396 31.6066 174.6220 204 H 5.0833 9.1812 119.0152 53.9765 33.9138 171.8380 205 L 4.9263 7.9734 120.6877 53.4656 44.5577 175.0723 206 I 4.1561 7.9278 124.2818 60.4892 42.6534 173.1461 207 R 3.7017 7.5872 124.1415 55.7450 30.7372 177.2034 208 Y 3.9610 9.1334 124.3822 60.9024 38.5541 178.4615 209 K 3.6638 7.7876 118.9499 60.0664 32.1766 178.4453 210 T 3.9900 7.4637 115.0305 65.1708 68.5959 175.2334 211 I 4.2488 7.1795 112.0699 60.1441 38.3843 176.8752 212 A 3.2971 7.7025 124.4801 55.3972 17.9389 178.6034 213 P 4.2040 0.0000 0.0000 65.6270 31.3386 178.8195 214 L 4.0464 7.7023 117.8131 57.3092 41.3236 179.6460 215 V 3.5896 7.6718 118.3753 65.8221 31.2929 177.9171 216 A 4.0331 7.8933 119.0764 55.2160 18.4742 179.2388 217 S 4.3019 7.9144 110.4445 59.3280 62.4502 175.4542 218 G 3.8968 7.8840 111.0355 45.4608 0.0000 174.9680 219 A 4.5897 8.1292 122.4919 53.3357 19.2894 178.1945 220 V 4.9045 7.3201 110.5058 59.9951 34.6645 175.1169 221 Q 4.7269 9.0001 122.5557 54.2674 32.0840 175.4109 222 L 4.7401 9.2621 125.2411 54.5479 41.7511 176.6554 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 21 L 8.17 4.30 0.00 1.65 1.81 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.88 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 23 P 0.00 4.19 0.00 2.18 2.24 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 24 A 8.02 3.99 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 E 8.04 3.97 0.00 2.16 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 2.33 2.31 0.00 26 L 8.05 3.94 0.00 1.84 1.84 0.92 1.23 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 27 I 7.94 3.71 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.93 0.88 0.00 0.00 28 E 8.14 4.00 0.00 2.22 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 2.35 2.51 0.00 29 R 8.13 3.92 0.00 2.02 1.95 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 30 L 7.76 3.74 0.00 1.71 1.77 0.75 0.87 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 31 E 8.25 4.16 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.62 0.00 32 Q 8.48 4.20 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 33 A 7.92 3.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.29 4.29 0.00 3.24 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 8.32 3.58 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.86 0.00 36 N 8.43 4.47 0.00 2.87 2.95 0.00 0.00 6.70 8.19 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 37 E 8.43 3.98 0.00 2.34 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 2.39 2.42 0.00 38 K 7.49 3.73 0.00 1.01 0.74 0.00 0.64 0.00 0.00 0.96 0.00 0.00 2.16 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.04 1.05 7.81 39 F 7.21 4.78 0.00 3.01 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 40 A 7.72 3.83 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 41 P 0.00 4.24 0.00 2.13 2.00 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 42 E 6.83 4.47 0.00 1.91 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 2.12 2.19 0.00 43 L 8.19 4.08 0.00 1.67 1.64 0.93 1.03 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 44 L 8.40 4.54 0.00 1.94 1.69 1.06 1.12 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 45 E 8.50 4.24 0.00 2.00 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 0.00 2.35 2.35 0.00 46 S 8.67 4.35 0.00 3.92 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 47 K 8.60 4.95 0.00 1.92 1.85 0.00 2.05 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.33 7.81 48 P 0.00 4.29 0.00 2.28 2.33 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 49 E 8.23 3.95 0.00 2.19 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 2.38 2.36 0.00 50 I 7.64 3.78 2.03 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 1.52 0.53 0.87 0.00 0.00 51 V 7.72 3.59 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 1.02 0.00 0.00 1.16 0.00 0.00 52 E 8.35 3.91 0.00 2.12 2.03 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 2.32 2.41 0.00 53 C 7.82 4.12 0.00 2.97 2.98 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 54 V 7.88 3.65 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 1.00 0.00 0.00 0.94 0.00 0.00 55 M 8.18 4.08 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 56 E 8.53 3.86 0.00 2.16 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 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0.00 0.00 0.00 0.00 88 V 7.18 2.43 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 0.31 0.00 0.00 0.41 0.00 0.00 89 L 7.52 3.90 0.00 1.76 1.73 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 S 7.89 4.02 0.00 3.91 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 91 S 7.72 3.95 0.00 3.16 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 92 Y 8.15 4.38 0.00 3.20 3.22 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 93 L 8.25 3.63 0.00 1.70 1.51 0.86 0.59 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 94 R 8.26 3.79 0.00 2.02 1.92 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 95 C 8.28 4.06 0.00 3.07 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 96 R 7.71 3.86 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 138 E 8.54 3.94 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 139 S 8.32 4.04 0.00 3.91 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 0.00 140 Y 8.11 3.99 0.00 3.10 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.31 3.90 0.00 2.13 1.71 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.14 3.86 0.00 1.86 1.95 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 143 N 7.90 4.27 0.00 2.62 2.79 0.00 0.00 7.05 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 0.00 144 V 7.19 3.79 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.31 0.00 0.00 145 A 7.44 4.62 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 0.00 146 L 7.93 3.99 0.00 1.72 1.91 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.91 4.01 0.00 1.76 1.89 0.00 1.46 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 0.96 7.81 148 H 7.88 4.68 0.00 3.31 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 M 7.48 4.51 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 150 P 0.00 4.41 0.00 2.17 1.99 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 151 P 0.00 4.22 0.00 2.03 2.13 0.00 3.66 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 2.03 2.09 0.00 152 N 8.05 4.86 0.00 2.82 2.90 0.00 0.00 5.79 7.79 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 0.00 153 L 7.98 4.85 0.00 1.61 1.64 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.31 4.30 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.84 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 155 K 7.93 4.40 0.00 1.73 1.75 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.39 7.81 156 V 8.14 4.19 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 0.83 0.00 0.00 0.95 0.00 0.00 157 D 8.59 4.49 0.00 2.82 2.61 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 0.00 158 L 8.57 4.06 0.00 1.78 1.66 1.16 1.10 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 0.00 159 F 8.45 4.05 0.00 2.94 3.22 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 0.00 160 R 7.91 4.28 0.00 2.03 2.13 0.00 3.47 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 161 A 8.18 4.12 1.36 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 0.00 162 V 7.14 4.15 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 0.73 0.00 0.00 0.78 0.00 0.00 163 P 0.00 4.35 0.00 2.16 2.01 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 164 K 8.11 4.18 0.00 1.53 1.44 0.00 1.53 0.00 0.00 1.43 0.00 0.00 2.23 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.45 0.94 7.81 165 P 0.00 3.81 0.00 1.65 1.57 0.00 3.25 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.00 166 D 8.30 4.59 0.00 2.63 2.61 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 0.00 167 L 8.27 4.36 0.00 1.77 1.82 0.93 1.15 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 0.00 168 D 8.18 4.72 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 S 7.77 4.93 0.00 3.76 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 0.00 170 Y 8.71 4.63 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 V 8.74 4.65 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 0.93 0.00 0.00 1.05 0.00 0.00 172 F 8.76 5.35 0.00 2.82 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 0.00 173 L 8.89 5.00 0.00 1.87 1.75 0.96 0.44 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 0.00 174 R 9.19 5.03 0.00 1.90 1.81 0.00 3.16 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 175 V 8.92 3.98 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 0.99 0.00 0.00 1.00 0.00 0.00 176 R 8.91 4.38 0.00 1.84 1.97 0.00 3.19 0.00 0.00 3.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 177 E 7.83 4.71 0.00 1.86 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 2.28 2.28 0.00 178 R 8.88 4.28 0.00 1.82 1.86 0.00 3.18 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 179 Q 9.13 4.69 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.38 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 180 E 8.50 5.07 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 181 N 8.60 4.07 0.00 2.79 2.81 0.00 0.00 6.95 8.14 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 0.00 182 I 8.22 4.25 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.84 0.81 0.00 0.00 183 L 8.37 4.60 0.00 1.56 1.48 0.90 0.91 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 0.00 184 V 8.16 3.89 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 0.00 0.00 0.68 0.00 0.00 0.61 0.00 0.00 185 E 8.39 4.83 0.00 1.78 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 2.23 2.03 0.00 186 P 0.00 4.57 0.00 2.10 2.22 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 2.39 2.27 0.00 187 D 7.51 4.33 0.00 2.73 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 0.00 188 T 8.56 4.12 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 189 D 8.65 4.60 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.77 4.29 0.00 2.07 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 2.40 2.36 0.00 191 Q 8.07 4.10 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 192 R 8.20 4.41 0.00 1.89 2.05 0.00 3.19 0.00 0.00 3.57 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 193 D 7.90 4.95 0.00 2.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 8.11 4.86 0.00 2.99 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 0.00 195 V 8.43 4.61 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 0.85 0.00 0.00 0.93 0.00 0.00 196 I 8.85 4.90 1.82 0.00 0.00 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 1.33 0.53 0.87 0.00 0.00 197 D 8.64 5.15 0.00 2.52 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 0.00 198 L 8.76 4.54 0.00 1.53 1.52 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 199 E 8.32 4.74 0.00 1.79 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 2.30 2.28 0.00 200 K 8.53 4.05 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.66 7.81 201 G 9.12 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 0.00 0.00 0.00 202 S 7.82 4.50 0.00 3.93 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 0.00 203 Q 8.44 5.25 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 204 H 9.18 5.08 0.00 3.03 3.15 0.00 5.55 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 7.97 4.93 0.00 1.20 1.39 0.25 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 206 I 7.93 4.16 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.09 0.83 0.00 0.00 207 R 7.59 3.70 0.00 1.55 1.54 0.00 3.12 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.56 0.00 208 Y 9.13 3.96 0.00 3.03 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 0.00 209 K 7.79 3.66 0.00 1.90 1.74 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.44 7.81 210 T 7.46 3.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 211 I 7.18 4.25 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.80 0.00 0.00 212 A 7.70 3.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 P 0.00 4.20 0.00 2.10 2.07 0.00 3.39 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 2.10 0.00 214 L 7.70 4.05 0.00 1.83 1.67 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 215 V 7.67 3.59 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 1.18 0.00 0.00 1.00 0.00 0.00 216 A 7.89 4.03 1.36 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 0.00 217 S 7.91 4.30 0.00 4.05 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 0.00 218 G 7.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 A 8.13 4.59 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 0.00 220 V 7.32 4.90 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.00 0.00 0.00 221 Q 9.00 4.73 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 222 L 9.26 4.74 0.00 2.03 1.86 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.