NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4397 8.1814 115.2960 58.6855 63.9801 175.1744 4 G 3.6822 8.5239 121.5321 46.6155 0.0000 171.5732 5 N 4.5334 8.0527 123.7393 52.5325 39.9092 172.6762 6 A 4.1373 8.0404 123.3356 50.9655 19.5954 177.3745 7 R 4.5856 8.1519 121.4485 53.9364 33.4808 175.0576 8 I 3.9747 8.4583 123.8133 63.2871 37.4235 176.5005 9 G 3.9683 9.2207 113.9070 44.8935 0.0000 172.7717 10 K 4.7282 7.5920 118.1234 53.2408 36.3220 173.7823 11 P 4.7389 0.0000 0.0000 62.9811 31.5797 176.5955 12 A 4.1194 9.0868 126.7585 51.0481 19.2206 175.7322 13 P 4.0660 0.0000 0.0000 62.7825 31.8266 176.3705 14 D 4.5165 8.4782 122.4427 54.4200 42.2233 174.6917 15 F 5.1251 7.5386 115.8396 55.6457 41.2083 172.7058 16 K 5.2961 8.7221 120.7264 54.9412 35.0295 174.9628 17 A 4.7421 9.0624 127.1815 50.9443 23.2785 175.3618 18 T 4.7218 8.7304 116.6671 62.7957 69.9337 173.7751 19 A 5.1703 9.2483 126.8736 50.0269 23.5853 174.8474 20 V 4.6086 8.5356 119.5780 62.0114 33.1643 175.1412 21 V 4.4028 9.1891 128.6638 61.2640 34.3455 175.2610 22 D 4.3851 9.7517 129.5383 55.5690 38.2467 174.7218 23 G 3.8040 8.3924 103.0814 45.7163 0.0000 172.6683 24 A 4.5190 7.7429 120.6646 49.6392 23.1555 175.2243 25 F 5.4471 8.2053 117.5212 56.9639 40.2367 175.7415 26 K 4.6989 9.1042 123.2169 55.1557 36.1663 174.3634 27 E 4.8222 8.7877 124.8518 55.7392 31.2564 175.4337 28 V 4.7184 9.0371 124.2971 60.8843 34.8299 174.3394 29 K 5.0231 8.8857 125.4453 54.8509 35.7824 176.9477 30 L 3.6013 7.9136 124.6994 58.1418 42.1081 179.4608 31 S 4.2234 7.5411 112.7740 61.3013 62.7689 176.2455 32 D 4.1383 7.7567 120.0653 56.7726 40.6480 176.6236 33 Y 4.4421 8.1305 116.0184 57.1035 38.1132 175.1212 34 K 3.8652 7.3464 121.9697 58.4633 32.3915 177.1208 35 G 4.0568 9.3933 114.8251 44.9560 0.0000 172.9947 36 K 4.9826 8.0729 118.4426 54.5505 36.3374 175.4629 37 Y 4.4909 9.1256 120.0225 58.0500 39.5792 174.8945 38 V 4.7958 8.9398 121.1154 61.2364 35.4620 174.4700 39 V 4.5611 8.8873 128.2267 61.3767 33.0776 173.9639 40 L 4.9246 8.7721 132.0616 53.3639 43.6896 174.9468 41 F 5.3813 8.5308 122.1731 55.1222 40.4837 174.4935 42 F 4.9900 9.6285 122.9832 56.5821 40.8928 174.4243 43 Y 5.1961 8.1781 118.8811 55.2291 40.7619 173.5497 44 P 4.3842 0.0000 0.0000 64.7053 31.8728 176.5357 45 L 4.8019 7.6248 117.7383 52.0695 45.3913 175.8962 46 D 3.4651 9.4090 123.4130 55.0461 41.2302 176.1515 47 F 2.8983 4.0000 116.8057 58.7213 36.5865 175.3099 48 T 3.7847 7.1121 112.2210 60.3637 70.4640 171.3917 49 F 4.8346 8.1443 115.2673 59.9746 41.1856 179.6286 50 V 3.9546 7.6377 121.1239 62.0157 30.8473 176.2050 *52 P 4.0204 0.0000 0.0000 62.4929 33.4036 178.5686 53 T 3.9632 7.7472 109.3219 64.4893 68.4132 176.5318 54 E 3.8966 8.0381 120.9914 59.1779 29.6241 178.9869 55 I 3.8439 7.5472 119.3211 64.5261 37.2143 178.4591 56 I 3.6065 8.0861 120.8179 64.1053 36.7497 178.3203 57 A 3.8574 7.8997 121.6147 55.2305 17.9750 179.7839 58 F 3.9417 7.8860 115.1443 60.5784 39.2105 177.6081 59 S 4.2837 8.4872 113.1930 61.5540 61.9953 175.9221 60 N 4.4115 8.6134 118.3315 55.6176 38.4622 176.6002 61 R 4.5898 7.6057 117.4724 56.0045 30.6712 177.8334 62 A 4.2276 7.9420 124.6351 55.8062 18.2930 180.5462 63 E 4.0464 8.2614 116.1593 59.3376 29.3356 178.9280 64 D 4.3333 7.9161 118.6686 57.3951 41.1077 178.5019 65 F 4.3124 8.2754 117.5775 60.4475 39.1670 178.0917 66 R 4.2191 8.4325 117.7134 59.1335 29.6098 179.1366 67 K 4.0764 8.0198 117.2787 58.4066 32.1029 178.2052 68 L 4.5100 7.7921 116.9878 53.6997 42.3279 176.2861 69 G 3.9006 8.4836 107.9778 46.8306 0.0000 172.4854 70 C 5.4504 8.2613 119.4241 57.3519 33.9781 172.9720 71 E 4.7433 9.3971 125.9960 55.0411 31.6800 174.9824 72 V 4.6501 8.2058 121.8807 61.0526 33.8986 174.6439 73 L 4.6481 8.9692 127.5600 52.7845 45.1908 175.7715 74 G 3.2472 8.3133 110.3560 44.1349 0.0000 172.6297 75 V 4.8877 7.7286 120.5042 60.0611 35.1351 173.5945 76 S 4.5966 8.3091 116.4266 56.5536 66.2686 175.2182 77 V 3.7968 8.2505 112.2507 63.2767 31.2960 176.7152 78 D 4.3651 7.6969 120.6180 53.9553 41.3251 176.2239 79 S 4.2637 8.2538 117.0057 57.8081 65.3866 175.2814 80 Q 3.8156 8.0972 120.1370 59.1998 28.0964 178.5426 81 F 4.3519 7.7192 119.4276 60.7789 39.0684 177.5825 82 T 4.1272 8.1702 115.5071 66.8927 68.1433 176.4959 83 H 4.7061 8.4729 119.6966 58.4482 28.7599 177.6269 84 L 4.0567 8.5454 122.1482 58.1548 41.7224 178.8465 85 A 4.1931 8.3713 120.1147 54.9058 18.6375 179.0205 86 W 4.3949 8.4795 126.8689 60.2879 30.3438 178.5031 87 I 3.7936 8.2475 120.3941 64.0472 36.2081 177.0404 88 N 4.8750 8.1489 114.9487 53.4761 38.4766 174.4667 89 T 4.6751 7.3991 115.4703 60.8368 70.7018 172.5279 90 P 4.6520 0.0000 0.0000 62.5775 32.2092 177.7179 91 R 4.3425 8.4163 119.1789 58.7826 30.2329 179.4303 92 K 4.0428 8.0262 116.0468 58.7870 32.1567 177.3277 93 E 4.3570 8.2278 116.0900 56.2966 29.8078 176.6181 94 G 4.0458 8.6785 108.2343 45.3437 0.0000 174.0898 95 G 4.4697 7.9991 109.3239 43.7920 0.0000 174.5007 96 L 3.6748 7.6599 117.6995 53.5938 42.4393 178.7417 97 G 3.8645 7.7587 106.8093 44.2028 0.0000 171.0323 98 P 4.3910 0.0000 0.0000 62.6401 31.9302 175.5051 99 L 4.7990 8.1321 119.4198 53.4152 44.8624 176.1362 100 N 4.8808 9.3650 118.3971 52.8784 38.9294 174.9817 101 I 4.7239 7.2066 110.8672 57.9270 40.9181 173.3331 102 P 4.5772 0.0000 0.0000 62.7149 32.8430 175.2151 103 L 4.7220 8.5670 125.1675 53.3107 44.4462 175.3313 104 L 4.8207 9.0372 127.1948 54.0117 43.4943 175.7677 105 A 4.8728 8.4811 124.3602 48.9544 20.4624 177.5217 106 D 4.8390 8.3955 123.8550 53.1199 41.1908 177.6009 107 V 3.7932 7.8264 119.8843 65.5913 32.1524 176.7265 108 T 3.9746 7.7626 108.0368 62.3756 69.1927 175.4567 109 R 4.1360 8.3579 120.6659 57.0828 28.4809 177.9314 110 R 3.8944 7.8820 120.1332 59.4361 29.9948 178.6688 111 L 4.1451 8.1545 118.3020 58.0568 41.7946 179.4254 112 S 3.8522 9.0408 115.4731 61.4824 62.7054 176.7376 113 E 3.9243 8.4892 121.4387 59.6654 29.2698 179.0957 114 D 4.3436 8.4450 119.0918 57.1103 40.6458 177.5675 115 Y 3.8695 7.9277 114.3560 56.5101 38.2372 175.6119 116 G 3.9485 7.7086 107.8861 46.9931 0.0000 174.8932 117 V 4.3338 7.5187 110.5518 60.3052 32.4208 175.7996 118 L 4.2549 7.6903 122.8948 54.8377 42.5718 176.8620 119 K 4.2410 8.9425 128.5131 55.0758 30.1845 176.7996 120 T 3.8879 8.5206 123.4267 66.4566 68.5915 176.3032 121 D 4.4160 8.0893 118.4008 55.0209 39.6462 176.3459 122 E 4.4074 7.4507 118.0799 55.2481 31.4616 176.8925 123 G 3.8762 8.3211 106.4379 45.6416 0.0000 173.0078 124 I 4.6269 7.1860 111.6768 58.3499 40.7752 174.3544 125 A 4.6537 8.2670 124.8659 51.7499 19.8524 176.9505 126 Y 4.1341 8.7940 119.8070 57.6953 39.2557 177.5870 127 R 4.7145 8.1149 120.7163 54.9572 28.5684 174.8898 128 G 4.3079 8.2543 108.5005 44.2752 0.0000 169.8929 129 L 5.4481 9.0392 127.5508 53.1422 45.5640 174.9984 130 F 5.2945 9.3471 124.0015 55.7937 42.9604 173.8101 131 I 4.9176 8.8022 124.4362 59.8408 39.1565 174.5971 132 I 4.8747 8.7059 128.6765 59.4256 40.2575 176.0387 133 D 3.3700 8.4033 126.6953 51.2757 41.1243 177.2226 134 G 3.7714 8.1346 106.5359 47.7518 0.0000 174.8783 135 K 4.1966 8.1572 117.7036 56.2326 32.5907 177.3296 136 G 3.8438 8.4007 108.4049 45.2413 0.0000 173.1412 137 V 4.3653 7.9045 120.1038 61.1336 32.7027 174.7683 138 L 4.5167 8.5543 129.5488 55.3441 42.4587 177.1490 139 R 4.3076 8.9481 124.0637 56.3369 32.7078 175.8132 140 Q 4.6927 7.6965 118.4607 54.8534 32.6934 172.8867 141 I 4.8438 8.4230 125.5432 59.7938 40.4271 174.9002 142 T 4.5665 8.6571 123.2863 61.7106 71.9952 173.1510 143 V 4.8693 8.3915 125.7675 61.2174 34.2090 174.1381 144 N 5.0784 8.8677 125.1698 51.1707 41.6907 174.3661 145 D 4.5507 8.5235 121.1149 53.8029 42.2828 177.0479 146 L 4.2511 8.8467 121.8969 57.4084 41.5364 177.0107 147 P 4.5586 0.0000 0.0000 63.3525 31.8179 175.8340 148 V 4.3612 7.3800 118.1957 60.8978 33.6038 175.4724 149 G 3.8757 8.5942 115.8904 45.2421 0.0000 173.2604 150 R 4.3420 9.2597 120.1853 55.1020 32.0082 176.1736 151 S 4.5557 8.2355 111.7253 56.5170 64.8553 174.7841 152 V 3.3001 8.0691 128.7404 65.8312 31.2511 177.4518 153 D 4.3061 7.9826 118.3195 57.4880 40.6728 178.3295 154 E 3.9543 8.5148 119.6575 59.1127 29.5548 178.6330 155 A 4.1762 8.2172 120.9715 55.1550 18.4485 179.3545 156 L 3.8406 8.3903 119.0045 58.2437 42.0506 179.0150 157 R 4.2561 8.2333 120.2695 59.0302 29.9177 178.5220 158 L 4.1338 8.3842 118.8457 57.7390 41.6486 179.6209 159 V 3.7876 8.3345 118.4431 66.1633 31.2554 178.0928 160 Q 4.0582 8.5275 117.7609 58.8766 28.5636 178.6253 161 A 3.0263 8.4826 121.9623 55.0685 18.4433 179.6817 162 F 4.0200 8.3307 116.3801 60.7884 38.9643 177.9830 163 Q 3.9904 8.1102 117.6998 58.9745 28.4951 178.2001 164 Y 3.8453 8.1938 120.9378 60.9719 38.9336 178.3198 165 T 4.2139 8.0392 110.6879 64.8315 68.5149 176.2227 166 D 4.4072 8.0573 121.2130 57.0594 40.9070 178.2773 167 E 3.9927 7.7315 118.1154 59.5125 29.0511 178.4074 168 H 4.5469 8.4634 114.9061 54.9891 28.8996 176.0845 169 G 4.1060 7.7694 108.0116 46.6636 0.0000 172.9555 170 E 4.8078 7.5026 117.8161 54.2286 32.9785 175.7937 171 V 4.4243 8.5612 113.3475 59.8475 35.5977 174.7710 172 C 4.5002 8.0496 120.3997 57.4637 29.3694 172.3196 173 P 4.2962 0.0000 0.0000 61.5912 31.8147 175.3976 174 A 4.1217 8.3565 122.3689 54.1638 18.3903 178.3013 175 G 3.9423 8.9495 109.6741 45.0259 0.0000 173.5886 176 W 4.2140 7.8393 129.2771 57.7863 31.2412 175.2756 177 K 3.9841 7.1450 122.0377 53.2417 35.7253 174.0703 178 P 3.4992 0.0000 0.0000 64.5036 31.4428 176.9632 179 G 3.8435 8.6684 111.0676 45.1874 0.0000 173.7412 180 S 4.3829 6.9218 115.4503 57.3783 63.7843 173.8877 181 D 4.6159 8.5060 122.2368 54.7962 41.1493 175.6172 182 T 4.7467 8.2997 111.2847 59.9796 72.3375 172.7047 183 I 4.4552 8.0475 121.3228 59.2756 40.4787 175.2824 184 K 4.5152 8.5366 126.1905 54.2005 32.6470 176.4995 185 P 4.6340 0.0000 0.0000 61.1521 30.3578 175.2105 186 N 5.0297 7.3665 116.5011 51.7466 40.9123 176.2768 187 V 3.6335 8.6235 120.1827 66.5636 31.9754 177.8754 188 D 4.5415 8.2915 119.0297 57.6493 40.3959 178.4039 189 D 4.4585 8.9073 119.5653 56.7638 40.8622 178.6991 190 S 4.2109 8.1641 114.7656 60.6887 63.0184 176.4444 191 K 4.2260 7.9573 122.8831 59.2842 31.8116 178.5101 192 E 3.9269 7.8771 118.6046 59.4611 29.4519 178.3171 193 Y 3.8889 7.7913 118.7054 60.8763 38.4821 177.7256 194 F 4.4839 7.8596 118.7722 60.6314 38.7616 177.8788 195 S 4.2516 8.4877 113.7200 61.0719 63.0393 176.1970 196 K 4.0034 7.7348 122.1406 59.3260 32.1198 177.7947 197 H 4.4306 8.0016 113.3029 56.0547 28.9891 175.1317 198 N 4.5988 7.7179 123.1034 53.4060 39.4114 174.0315 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 S 8.18 4.44 0.00 4.07 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.52 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 0.00 0.00 0.00 5 N 8.05 4.53 0.00 2.62 2.73 0.00 0.00 6.94 7.06 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 6 A 8.04 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.15 4.59 0.00 1.79 1.77 0.00 3.12 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 8 I 8.46 3.97 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.98 0.00 0.00 9 G 9.22 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 10 K 7.59 4.73 0.00 1.68 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 11 P 0.00 4.74 0.00 1.89 1.97 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 12 A 9.09 4.12 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 13 P 0.00 4.07 0.00 1.76 1.83 0.00 3.01 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.86 0.00 14 D 8.48 4.52 0.00 2.57 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 15 F 7.54 5.13 0.00 3.13 3.19 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 16 K 8.72 5.30 0.00 1.77 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 17 A 9.06 4.74 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 18 T 8.73 4.72 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 19 A 9.25 5.17 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 20 V 8.54 4.61 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 1.00 0.00 0.00 1.17 0.00 0.00 21 V 9.19 4.40 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 0.95 0.00 0.00 0.98 0.00 0.00 22 D 9.75 4.39 0.00 2.82 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 23 G 8.39 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 24 A 7.74 4.52 1.12 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 0.00 0.00 25 F 8.21 5.45 0.00 2.87 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 26 K 9.10 4.70 0.00 1.82 1.63 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81 27 E 8.79 4.82 0.00 1.94 1.86 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 2.38 2.25 0.00 28 V 9.04 4.72 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 1.02 0.00 0.00 29 K 8.89 5.02 0.00 1.81 1.83 0.00 1.36 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.34 7.81 30 L 7.91 3.60 0.00 0.27 1.38 0.85 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.54 4.22 0.00 3.89 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 32 D 7.76 4.14 0.00 2.22 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 0.00 0.00 0.00 0.00 33 Y 8.13 4.44 0.00 3.11 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 34 K 7.35 3.87 0.00 1.81 1.73 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 35 G 9.39 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.07 4.98 0.00 2.01 1.92 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 37 Y 9.13 4.49 0.00 2.98 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 38 V 8.94 4.80 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 0.89 0.00 0.00 0.84 0.00 0.00 39 V 8.89 4.56 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 0.65 0.00 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0.00 0.00 0.00 0.00 66 R 8.43 4.22 0.00 1.95 2.06 0.00 3.32 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 67 K 8.02 4.08 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.77 7.81 68 L 7.79 4.51 0.00 1.84 1.87 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.48 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 70 C 8.26 5.45 0.00 3.16 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 71 E 9.40 4.74 0.00 1.73 1.73 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 2.47 2.84 0.00 72 V 8.21 4.65 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 0.54 0.00 0.00 0.38 0.00 0.00 73 L 8.97 4.65 0.00 1.25 1.22 0.74 0.42 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 74 G 8.31 3.25 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 83 H 8.47 4.71 0.00 3.41 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.55 4.06 0.00 2.05 2.05 0.96 1.19 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 85 A 8.37 4.19 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.48 4.39 0.00 2.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.25 3.79 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.04 0.94 0.00 0.00 88 N 8.15 4.88 0.00 2.92 2.90 0.00 0.00 6.89 7.07 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 89 T 7.40 4.68 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 1.44 0.00 0.00 90 P 0.00 4.65 0.00 2.21 1.99 0.00 3.67 0.00 0.00 3.83 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 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.88 0.00 0.00 108 T 7.76 3.97 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 1.20 0.00 0.00 109 R 8.36 4.14 0.00 2.11 2.11 0.00 3.40 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 110 R 7.88 3.89 0.00 1.87 1.95 0.00 3.12 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 111 L 8.15 4.15 0.00 2.09 1.79 1.02 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.04 3.85 0.00 3.83 3.83 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 0.00 113 E 8.49 3.92 0.00 2.21 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 2.31 2.41 0.00 114 D 8.45 4.34 0.00 2.97 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 0.00 115 Y 7.93 3.87 0.00 2.49 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 0.00 116 G 7.71 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.52 4.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.20 0.00 0.00 118 L 7.69 4.25 0.00 1.54 1.55 0.89 0.58 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 0.00 119 K 8.94 4.24 0.00 0.79 1.43 0.00 1.08 0.00 0.00 1.35 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.28 7.81 120 T 8.52 3.89 4.25 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 1.21 0.00 0.00 121 D 8.09 4.42 0.00 2.78 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 0.00 122 E 7.45 4.41 0.00 2.04 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 2.20 2.17 0.00 123 G 8.32 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 0.00 124 I 7.19 4.63 1.93 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 1.13 0.75 0.91 0.00 0.00 125 A 8.27 4.65 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 0.00 126 Y 8.79 4.13 0.00 3.00 2.91 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 0.00 127 R 8.11 4.71 0.00 2.07 2.04 0.00 3.44 0.00 0.00 3.72 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 128 G 8.25 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 0.00 129 L 9.04 5.45 0.00 1.70 1.45 0.98 -0.16 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 0.00 130 F 9.35 5.29 0.00 3.05 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 0.00 131 I 8.80 4.92 1.90 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 1.38 0.72 1.13 0.00 0.00 132 I 8.71 4.87 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.95 0.91 0.00 0.00 133 D 8.40 3.37 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.13 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 0.00 0.00 0.00 135 K 8.16 4.20 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.42 7.81 136 G 8.40 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 0.00 0.00 0.00 137 V 7.90 4.37 2.33 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 1.00 0.00 0.00 0.89 0.00 0.00 138 L 8.55 4.52 0.00 1.84 1.69 1.28 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.95 4.31 0.00 0.86 0.66 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.30 0.00 140 Q 7.70 4.69 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 141 I 8.42 4.84 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.96 0.89 0.00 0.00 142 T 8.66 4.57 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 143 V 8.39 4.87 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 0.79 0.00 0.00 0.86 0.00 0.00 144 N 8.87 5.08 0.00 2.82 2.81 0.00 0.00 6.21 7.98 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 0.00 145 D 8.52 4.55 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.85 4.25 0.00 1.79 1.84 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 147 P 0.00 4.56 0.00 2.23 2.22 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 148 V 7.38 4.36 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 0.84 0.00 0.00 0.97 0.00 0.00 149 G 8.59 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 0.00 150 R 9.26 4.34 0.00 1.98 2.00 0.00 3.22 0.00 0.00 3.43 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 151 S 8.24 4.56 0.00 3.82 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 0.00 152 V 8.07 3.30 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 1.02 0.00 0.00 -0.19 0.00 0.00 153 D 7.98 4.31 0.00 2.70 2.68 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 0.00 154 E 8.51 3.95 0.00 2.10 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 2.36 2.45 0.00 155 A 8.22 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.39 3.84 0.00 1.59 1.72 -0.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 157 R 8.23 4.26 0.00 2.05 2.16 0.00 3.36 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.61 0.00 158 L 8.38 4.13 0.00 2.12 2.04 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.33 3.79 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 0.99 0.00 0.00 1.37 0.00 0.00 160 Q 8.53 4.06 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 161 A 8.48 3.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 8.33 4.02 0.00 3.40 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.11 3.99 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 164 Y 8.19 3.85 0.00 3.05 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 0.00 165 T 8.04 4.21 4.25 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 1.00 0.00 0.00 166 D 8.06 4.41 0.00 2.91 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 0.00 167 E 7.73 3.99 0.00 1.81 1.59 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 2.24 2.27 0.00 168 H 8.46 4.55 0.00 3.00 3.21 0.00 5.96 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 G 7.77 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 0.00 0.00 0.00 170 E 7.50 4.81 0.00 2.14 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 2.25 2.45 0.00 171 V 8.56 4.42 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 0.66 0.00 0.00 0.87 0.00 0.00 172 C 8.05 4.50 0.00 2.40 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 0.00 173 P 0.00 4.30 0.00 2.22 1.90 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.64 0.00 174 A 8.36 4.12 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 0.00 175 G 8.95 3.94 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 0.00 176 W 7.84 4.21 0.00 3.31 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.14 3.98 0.00 1.38 1.22 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.18 1.38 7.81 178 P 0.00 3.50 0.00 1.81 1.92 0.00 3.25 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 179 G 8.67 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 0.00 0.00 0.00 180 S 6.92 4.38 0.00 3.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 D 8.51 4.62 0.00 2.88 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 0.00 182 T 8.30 4.75 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 1.00 0.00 0.00 183 I 8.05 4.46 1.57 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.10 0.58 0.00 0.00 184 K 8.54 4.52 0.00 1.63 1.75 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.43 7.81 185 P 0.00 4.63 0.00 2.17 2.06 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 186 N 7.37 5.03 0.00 2.93 2.91 0.00 0.00 5.72 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 V 8.62 3.63 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 0.86 0.00 0.00 0.96 0.00 0.00 188 D 8.29 4.54 0.00 2.75 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 0.00 189 D 8.91 4.46 0.00 2.76 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 0.00 190 S 8.16 4.21 0.00 4.03 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 0.00 191 K 7.96 4.23 0.00 1.89 2.01 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.86 1.67 7.81 192 E 7.88 3.93 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 2.34 2.35 0.00 193 Y 7.79 3.89 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 F 7.86 4.48 0.00 3.25 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.49 4.25 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 0.00 196 K 7.73 4.00 0.00 1.81 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.35 7.81 197 H 8.00 4.43 0.00 2.66 3.12 0.00 5.65 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 7.72 4.60 0.00 2.88 2.67 0.00 0.00 6.77 7.44 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 * Residues marked with a * may have inaccurate shift predictions.