NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6334 8.2048 119.7398 55.4199 33.4103 174.3771 2 R 4.3503 8.8938 124.4289 55.1969 32.1949 175.1690 3 L 2.8360 8.4907 117.0554 51.7710 43.8000 174.9839 4 P 4.8773 0.0000 0.0000 62.4131 33.1338 176.2908 5 I 4.8146 8.6332 124.1473 58.9903 42.0809 173.6821 6 L 5.0303 8.6507 129.5628 53.4973 44.7316 174.9091 7 I 4.7290 8.7516 128.3410 59.7765 39.4386 174.9386 8 I 4.6821 8.7119 129.3354 60.0194 38.5281 174.6111 9 N 4.9734 9.3089 128.3905 52.3437 39.4033 175.8631 10 F 4.7449 9.5872 126.3837 58.2175 40.2719 177.2248 11 K 3.5514 8.0797 120.6651 57.9905 31.1465 175.5441 12 A 4.7131 7.9002 126.5425 52.8838 19.7404 175.9593 13 Y 4.3633 7.6059 118.1472 59.4209 38.5735 178.0730 14 G 3.7042 8.9777 113.5408 48.6606 0.0000 175.2307 15 E 3.9671 8.3250 117.7435 58.1962 29.5307 177.2304 16 A 4.4312 7.9727 119.7805 51.4697 19.8670 175.7221 17 A 4.5705 8.1639 122.0031 51.9760 21.4728 179.3799 18 G 3.8034 8.5201 107.7326 46.4370 0.0000 177.1408 19 K 4.0365 8.6378 119.7542 59.3812 31.8577 178.8517 20 R 3.9624 7.9912 117.7524 58.8465 29.7664 178.8575 21 A 4.1638 8.0312 120.9434 55.3209 18.3782 179.8786 22 V 3.6183 7.8121 116.2782 66.0725 31.6884 177.9096 23 E 3.9532 8.2665 118.4667 59.3156 29.3244 179.1184 24 L 3.8927 8.3687 120.5566 58.0269 42.0301 178.7663 25 A 4.2269 8.4737 120.9498 55.3202 18.2652 179.8045 26 K 3.9546 8.4795 116.9403 59.4605 32.1069 179.4540 27 A 4.0754 8.2874 120.9430 55.1674 18.2490 179.5598 28 A 4.0111 8.2862 119.3535 55.1989 18.4690 179.4749 29 E 3.8888 8.5392 118.2213 59.3859 29.7214 179.2000 30 R 3.9449 8.3446 117.9978 59.3446 30.1810 178.6730 31 A 4.0618 8.3101 120.2129 55.3397 18.3310 179.4942 32 A 4.0252 8.2560 119.1665 55.5345 18.2446 180.1680 33 R 3.9337 7.9424 115.4522 59.2295 30.2239 178.5289 34 E 4.1106 8.6575 118.8648 58.6431 29.7761 177.9684 35 L 4.5126 8.1145 116.5611 53.3855 42.6864 176.4681 36 G 3.8802 8.1029 106.8140 46.8561 0.0000 173.7531 37 V 4.3335 7.6293 117.0469 60.3950 34.4879 174.8819 38 N 4.6112 8.4743 124.4499 53.1828 38.7427 172.3307 39 I 4.7538 8.0358 125.4401 59.4727 38.7828 175.1628 40 V 4.4808 8.9053 127.7163 60.9128 34.3873 174.6344 41 V 4.6775 8.1273 124.4972 59.8939 34.5910 174.4168 42 A 5.5910 8.5995 125.2211 48.2161 19.5005 173.7389 43 P 4.5350 0.0000 0.0000 61.5632 33.2129 176.2788 44 N 4.5183 8.7560 117.1803 52.7384 38.3992 175.4949 45 H 4.1655 8.9100 116.8968 59.6282 28.5223 177.8335 46 L 4.1338 7.9603 118.6721 56.8369 41.1558 178.3437 47 E 4.6000 8.2535 116.4956 55.6357 30.1090 177.3177 48 L 4.0415 7.7862 122.3340 58.2215 42.1850 179.1051 49 G 3.6118 8.0305 104.8960 47.3496 0.0000 174.9390 50 L 3.9390 7.8704 121.4072 57.8885 42.3151 178.8251 51 V 3.7573 8.3007 118.3390 66.1864 31.2783 177.9678 52 S 4.1347 8.3368 114.1252 61.5651 62.7480 175.8812 53 Q 4.3938 7.8312 117.5393 56.1969 28.7848 176.3434 54 S 4.7064 8.1654 115.7356 58.3938 64.7256 174.1122 55 V 4.6621 7.4423 111.5641 60.0095 35.3456 174.6600 56 D 4.8226 10.0241 120.7580 54.0798 41.6675 177.2812 57 I 4.0607 7.4282 112.7076 59.4441 38.7937 173.7890 58 P 4.4112 0.0000 0.0000 62.7850 32.6691 175.4536 59 V 4.6652 8.4674 123.1021 61.4396 34.0848 173.6871 60 Y 5.4553 9.1057 125.6092 56.3143 40.7234 175.1393 61 A 4.6598 8.9624 124.6890 51.6196 19.6764 178.9606 62 Q 3.9088 9.0095 119.0721 57.4441 29.1478 176.1981 63 G 4.4142 7.5727 104.5992 45.5384 0.0000 171.3993 64 A 4.6560 8.0662 120.3335 51.4270 21.5835 175.7691 65 D 4.8809 8.8142 116.4908 52.8798 41.4854 175.4420 66 V 4.3453 7.4466 118.4336 61.8978 35.0883 175.3383 67 E 4.0376 9.0298 125.8514 58.8726 30.0810 176.6371 68 A 4.9871 7.6934 119.4561 49.5555 21.9854 175.6734 69 G 3.8573 8.5337 109.3070 45.2135 0.0000 174.2896 70 G 3.5908 7.9920 104.5917 45.0607 0.0000 173.7661 71 A 4.2908 7.7609 119.7748 51.4917 17.4856 177.3000 72 H 5.0023 7.5986 120.4153 53.1109 29.7450 173.4402 73 T 3.9199 7.8739 115.9034 65.2016 69.2222 174.3800 74 A 3.6711 8.6856 125.9684 53.1353 16.3133 176.4615 75 H 4.9191 7.8742 113.9477 54.9849 31.8838 174.4750 76 V 4.3451 8.7512 120.1187 61.3881 33.4414 174.6239 77 S 5.6257 8.3246 122.5831 56.3269 65.3412 175.3106 78 L 3.9603 8.5441 121.6592 58.1413 41.3946 179.6896 79 E 3.9748 7.9938 118.2052 59.5761 29.3179 179.2146 80 N 5.2359 8.1242 117.8041 55.7847 38.5448 177.5733 81 I 3.6675 7.6850 121.3655 64.1417 37.2074 178.2510 82 K 3.8951 8.0804 120.3553 59.7769 32.0978 178.7570 83 E 4.0369 8.6883 118.6968 58.9199 28.9425 178.5285 84 A 4.2985 8.1967 120.1089 52.5872 18.4774 178.5463 85 G 4.1183 7.8269 105.4950 44.9087 0.0000 174.4942 86 G 3.8745 7.8617 108.3356 45.5825 0.0000 174.0713 87 S 4.6965 8.9238 115.1778 57.9109 65.3643 173.6591 88 G 3.5709 7.6594 106.2179 45.6875 0.0000 172.4829 89 V 4.9916 7.7899 118.3227 60.2411 35.1902 173.8772 90 I 4.8292 8.8037 124.7392 60.0939 39.1990 174.7578 91 L 4.9490 8.8445 125.8056 53.3009 45.8299 176.1190 92 N 4.3166 8.9612 117.9111 54.6436 37.5919 173.8595 93 H 4.2447 8.0953 114.8563 55.5070 30.6500 175.7457 94 S 4.1419 8.4928 121.3098 62.0962 62.6591 175.7836 95 E 4.2176 8.4608 115.9546 57.5703 30.1335 176.8240 96 A 4.7222 8.2326 121.9361 50.0445 19.4801 174.5077 97 P 4.5660 0.0000 0.0000 62.1880 32.5800 176.7724 98 L 4.8024 8.5422 120.9604 52.5039 44.4624 177.2274 99 K 4.1423 8.2582 120.4544 55.9831 33.7689 177.8935 100 L 3.9145 8.5864 125.1541 58.6286 41.8540 179.2172 101 N 4.2965 8.0882 115.5508 56.4848 38.5126 177.0078 102 D 4.3219 7.9888 119.7363 57.1380 41.0108 178.1919 103 L 3.8659 8.2960 121.0796 58.2265 41.5877 178.9139 104 A 3.9591 8.1709 120.6422 55.2926 18.3091 179.9098 105 R 3.8715 7.7261 116.6330 59.3677 30.0878 179.2996 106 L 3.9763 8.5678 119.2100 57.5358 41.4859 179.6716 107 V 3.4916 7.8367 117.9743 65.9070 31.4682 177.8302 108 A 3.9093 7.5422 119.7071 55.0732 18.3469 179.3414 109 K 3.7693 7.9979 117.7887 59.6830 32.1820 178.6810 110 A 3.9572 8.2744 121.2344 55.1035 18.2248 179.7375 111 K 3.9206 8.2241 117.3159 59.6950 31.9828 179.7953 112 S 4.1731 8.0411 112.7689 60.7634 63.0397 175.5593 113 L 4.3052 7.6775 120.7697 54.6974 41.6450 176.9442 114 G 3.8204 8.1310 107.1790 46.2284 0.0000 173.0938 115 L 4.8125 7.6989 118.8317 52.5086 43.4927 176.6921 116 D 4.4465 8.7936 123.8038 54.1457 42.4174 175.7339 117 V 4.5744 8.4110 120.7271 59.8539 35.0575 174.2199 118 V 4.8303 8.4847 123.9610 61.0341 34.3635 173.9980 119 V 4.8063 8.6113 128.0856 61.3815 33.3983 174.7169 120 C 5.0484 9.1768 126.0651 59.6825 29.3814 172.9679 121 A 4.6776 8.7075 121.7377 50.1648 21.7894 175.9858 122 P 4.5732 0.0000 0.0000 64.5488 32.0416 175.9137 123 D 4.6839 7.5814 116.2901 50.4653 43.5557 173.9932 124 P 4.4679 0.0000 0.0000 65.1614 31.2001 178.9120 125 R 3.8850 7.8952 116.8643 59.8888 30.1458 178.5805 126 T 3.9419 8.6327 115.9032 66.6800 68.3221 176.9431 127 S 4.1505 8.2771 117.3141 61.3203 62.5710 176.4307 128 L 4.0469 7.9123 122.3520 58.0234 42.2214 178.5611 129 A 4.1311 8.1366 120.6229 55.0434 18.3458 179.4134 130 A 3.8750 8.2038 119.1336 55.3567 18.4833 179.7855 131 A 3.8956 8.2607 118.9231 54.9963 18.1710 179.6135 132 A 2.5800 7.1783 117.9088 54.1963 18.4160 179.2253 133 L 4.0448 7.3916 116.4074 55.5333 41.8542 177.4303 134 G 3.6609 7.6203 107.0269 45.4044 0.0000 172.0676 135 P 4.5405 0.0000 0.0000 61.6575 32.9589 175.7581 136 H 4.4210 8.7180 114.9326 58.5553 29.5483 175.6440 137 A 5.3683 8.3490 118.1925 50.1767 23.2177 175.2822 138 V 4.7490 8.8873 118.9657 59.7778 34.6446 174.5077 139 A 5.6558 9.2204 127.0471 49.2019 20.8720 175.7280 140 V 4.1828 8.2581 122.6074 62.3522 32.9934 175.1984 141 E 4.8904 9.5420 126.8413 52.3795 32.4654 172.3086 142 P 4.6605 0.0000 0.0000 61.4322 31.6449 175.8905 143 P 4.3040 0.0000 0.0000 65.5249 31.5650 178.7756 144 E 3.9728 8.1884 116.6750 59.1312 29.7147 177.9774 145 L 4.1653 7.8666 117.5273 55.9470 42.2071 176.9362 146 I 3.8535 7.1858 120.3824 62.8763 37.1852 176.3654 147 G 3.9716 8.9116 112.6988 46.1982 0.0000 173.8583 148 T 4.1081 7.9539 108.9902 61.0202 69.4440 176.1736 149 G 3.8475 8.1349 109.5757 45.9257 0.0000 174.5969 150 R 3.8760 7.3528 119.5762 53.4914 28.8749 175.2554 151 A 4.1175 8.2977 122.8665 52.5505 19.8816 178.0876 152 V 3.7819 8.6703 125.0757 65.0304 31.1772 178.8330 153 S 4.3205 8.1442 112.5972 60.0564 63.0444 175.2914 154 R 4.3822 7.8404 120.2117 57.8147 31.5704 176.9898 155 Y 4.3095 8.6909 114.7389 58.6720 39.3974 176.1190 156 K 5.2023 8.5612 121.6229 53.0841 32.7040 175.5108 157 P 4.3599 0.0000 0.0000 65.9856 31.4912 177.4470 158 E 3.9261 8.2701 118.0089 59.3399 29.2320 178.8628 159 A 4.0600 8.1283 120.8368 55.0212 18.2924 179.8965 160 I 3.7114 7.6377 117.9188 64.4173 37.3510 178.3080 161 V 3.5743 7.9139 119.2642 66.3008 31.2660 177.7143 162 E 3.9443 8.6572 119.1525 59.4083 29.2727 178.9780 163 T 3.8642 7.7011 116.0123 66.6891 68.5925 176.7556 164 V 3.7246 8.1549 120.5914 65.9052 31.4697 178.3189 165 G 3.5403 8.2956 105.3865 47.8561 0.0000 175.7058 166 L 4.0414 8.2070 122.6252 57.3671 41.6766 179.9509 167 V 3.7194 8.1175 118.6007 66.0062 31.2951 178.2858 168 S 4.3453 7.9517 113.0638 61.1775 62.8639 176.2283 169 R 3.9174 7.7983 121.8571 59.1366 29.9164 177.3330 170 H 4.2027 8.0830 114.3289 56.4060 30.9982 175.8230 171 F 5.1393 8.2274 117.8531 54.6936 39.2290 173.8492 172 P 4.3039 0.0000 0.0000 65.6042 31.5085 178.2985 173 E 4.1286 8.1792 117.5822 58.7772 29.8033 177.2989 174 V 3.8536 7.8293 119.4324 62.9403 32.0414 176.2827 175 S 4.7037 9.0117 124.0168 57.8293 65.0625 173.0760 176 V 4.9356 8.3194 121.9810 61.2052 34.1216 174.4224 177 I 5.0593 8.8719 120.5862 59.5558 41.5843 173.5723 178 T 5.0513 8.3690 115.7834 61.3067 71.2967 171.9951 179 G 4.5634 9.0091 110.0516 46.2548 0.0000 172.6867 180 A 4.1750 9.1320 121.9258 53.5581 17.3796 179.1778 181 G 3.9254 8.8542 110.1521 45.8876 0.0000 173.0112 182 I 3.7948 7.7109 121.0263 61.6045 37.1085 175.3123 183 E 4.6019 9.3742 123.4748 55.7290 31.5805 176.2108 184 S 5.0171 7.8795 113.5591 55.5492 67.7172 174.7923 185 G 3.6267 9.3035 109.0166 48.0634 0.0000 175.8075 186 D 4.4709 8.0536 120.6311 57.1811 40.7754 178.3905 187 D 4.3812 7.9406 119.1894 57.2440 40.7886 178.9269 188 V 3.5515 7.7103 118.4199 66.0032 31.4922 177.9213 189 A 3.9690 8.4568 120.7046 55.1068 17.9779 179.4115 190 A 3.9075 8.2809 118.5210 55.2292 18.6746 179.3739 191 A 4.1050 8.2048 119.4509 55.4069 18.4622 179.9325 192 L 4.0060 8.1643 117.5503 57.9215 41.4729 179.8644 193 R 4.1015 8.1508 117.1007 58.3675 30.0013 177.9297 194 L 4.4520 7.3061 117.0774 54.6385 41.8064 177.3573 195 G 4.0252 7.9787 107.6030 45.3905 0.0000 174.4185 196 T 4.3489 7.5148 115.4335 63.5871 69.3699 174.4231 197 R 4.5289 9.9590 122.3049 54.3507 30.5721 176.7316 198 G 4.2225 6.8757 107.1701 45.7336 0.0000 171.3656 199 V 4.7831 8.0033 118.0011 61.0908 35.5785 173.7986 200 L 5.3368 8.9569 127.2705 53.1896 44.8633 175.2142 201 L 4.4021 9.0425 124.9589 55.0672 44.0801 174.2513 202 A 4.8143 8.6039 118.3838 50.8018 21.7081 178.3833 203 S 3.7900 8.0590 108.6858 61.3957 63.0661 176.7244 204 A 3.9106 7.9855 121.9622 55.4211 18.2346 179.1586 205 A 4.0528 7.7866 118.1168 55.2536 18.7384 179.7362 206 V 3.3666 7.6959 115.4811 65.3703 31.5580 176.8347 207 K 4.2244 7.8910 114.9871 55.7199 32.2577 176.4919 208 A 4.1536 7.3354 122.5748 51.9004 18.8191 178.7004 209 K 4.1049 8.5757 120.6401 58.6448 32.5896 177.0103 210 D 4.7815 7.5827 118.2148 50.3557 41.4828 173.4741 211 P 4.1973 0.0000 0.0000 65.4349 31.5695 176.7106 212 Y 4.0349 8.1215 117.0084 60.7908 38.7363 177.8732 213 A 3.7387 8.2377 121.2924 55.0240 18.4377 179.4550 214 K 3.8190 8.3206 118.4257 59.8120 32.2783 179.0831 215 I 3.6392 8.2573 120.3650 64.1986 36.8915 178.6024 216 V 3.4201 7.6110 119.2685 65.7085 31.0623 177.6158 217 E 3.8508 7.8494 117.9013 59.4436 29.5839 178.5778 218 L 4.0902 7.9129 117.5312 57.6632 41.9905 178.9862 219 A 4.1629 8.5485 120.8524 54.1217 18.5174 179.1603 220 K 3.7610 8.1451 118.8289 59.7290 31.9002 176.9168 221 P 4.4788 0.0000 0.0000 65.1604 31.2802 178.1938 222 L 4.1743 8.1349 118.2974 57.4058 41.6763 178.9730 223 S 4.3818 7.9416 113.8042 60.9386 63.1823 175.4843 224 E 4.4016 8.0586 118.7373 56.6116 29.2304 176.5189 225 L 4.6104 7.5943 123.6931 55.2718 42.8649 177.0566 *226 R 4.1530 8.1549 120.5816 56.1657 30.0397 177.5030 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 1 M 8.20 4.63 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 2 R 8.89 4.35 0.00 1.93 1.85 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 3 L 8.49 2.84 0.00 1.66 1.51 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.88 0.00 1.94 1.99 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 5 I 8.63 4.81 2.06 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.83 0.95 0.00 0.00 6 L 8.65 5.03 0.00 1.78 1.46 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.75 4.73 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.88 0.00 0.00 8 I 8.71 4.68 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 1.12 0.00 0.00 9 N 9.31 4.97 0.00 2.87 2.80 0.00 0.00 6.84 7.50 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 10 F 9.59 4.74 0.00 3.19 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 11 K 8.08 3.55 0.00 1.41 1.27 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.60 7.81 12 A 7.90 4.71 1.14 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 0.00 0.00 13 Y 7.61 4.36 0.00 3.14 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 14 G 8.98 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.33 3.97 0.00 1.85 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 2.22 2.33 0.00 16 A 7.97 4.43 0.97 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 17 A 8.16 4.57 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.52 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 19 K 8.64 4.04 0.00 1.86 1.89 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.61 7.81 20 R 7.99 3.96 0.00 2.04 2.05 0.00 3.11 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 21 A 8.03 4.16 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.81 3.62 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 1.17 0.00 0.00 0.98 0.00 0.00 23 E 8.27 3.95 0.00 2.23 1.97 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 2.33 2.44 0.00 24 L 8.37 3.89 0.00 1.55 1.48 0.78 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.47 4.23 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 3.95 0.00 2.04 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 27 A 8.29 4.08 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.29 4.01 1.48 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 29 E 8.54 3.89 0.00 2.16 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 0.00 2.33 2.37 0.00 30 R 8.34 3.94 0.00 2.27 2.07 0.00 3.04 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 31 A 8.31 4.06 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 32 A 8.26 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.94 3.93 0.00 1.85 2.02 0.00 3.19 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 34 E 8.66 4.11 0.00 2.24 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 2.48 2.47 0.00 35 L 8.11 4.51 0.00 1.64 1.68 0.91 0.76 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 36 G 8.10 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 37 V 7.63 4.33 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 0.83 0.00 0.00 0.94 0.00 0.00 38 N 8.47 4.61 0.00 2.89 2.90 0.00 0.00 6.99 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 39 I 8.04 4.75 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.91 0.00 0.00 40 V 8.91 4.48 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 -0.08 0.00 0.00 0.57 0.00 0.00 41 V 8.13 4.68 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 0.47 0.00 0.00 1.08 0.00 0.00 42 A 8.60 5.59 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.53 0.00 2.07 1.79 0.00 3.74 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.82 0.00 44 N 8.76 4.52 0.00 2.96 3.23 0.00 0.00 5.89 7.90 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 45 H 8.91 4.17 0.00 3.21 3.40 0.00 5.64 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 46 L 7.96 4.13 0.00 1.80 1.76 0.94 0.94 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 47 E 8.25 4.60 0.00 2.02 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 0.00 2.48 2.50 0.00 48 L 7.79 4.04 0.00 1.77 1.68 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.03 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.87 3.94 0.00 1.65 1.90 0.94 0.94 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 51 V 8.30 3.76 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.06 0.00 0.00 52 S 8.34 4.13 0.00 4.11 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 53 Q 7.83 4.39 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 54 S 8.17 4.71 0.00 3.93 3.89 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 0.00 0.00 0.00 55 V 7.44 4.66 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 0.78 0.00 0.00 1.00 0.00 0.00 56 D 10.02 4.82 0.00 2.59 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 57 I 7.43 4.06 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.49 0.91 0.00 0.00 58 P 0.00 4.41 0.00 1.88 2.07 0.00 3.46 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 2.20 2.09 0.00 59 V 8.47 4.67 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 0.88 0.00 0.00 0.95 0.00 0.00 60 Y 9.11 5.46 0.00 2.82 2.71 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 61 A 8.96 4.66 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 9.01 3.91 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 63 G 7.57 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.07 4.66 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.81 4.88 0.00 2.63 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 66 V 7.45 4.35 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 0.88 0.00 0.00 0.70 0.00 0.00 67 E 9.03 4.04 0.00 1.93 1.93 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 2.36 2.27 0.00 68 A 7.69 4.99 1.31 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 69 G 8.53 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 70 G 7.99 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.76 4.29 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 72 H 7.60 5.00 0.00 3.18 3.21 0.00 5.64 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 73 T 7.87 3.92 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 1.20 0.00 0.00 74 A 8.69 3.67 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 75 H 7.87 4.92 0.00 3.25 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.75 4.35 1.97 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 0.97 0.00 0.00 0.63 0.00 0.00 77 S 8.32 5.63 0.00 3.95 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 78 L 8.54 3.96 0.00 1.86 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.99 3.97 0.00 1.97 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 0.00 2.32 2.55 0.00 80 N 8.12 5.24 0.00 2.95 2.86 0.00 0.00 6.60 7.38 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 81 I 7.69 3.67 2.03 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 1.39 1.05 0.90 0.00 0.00 82 K 8.08 3.90 0.00 1.86 1.98 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.53 7.81 83 E 8.69 4.04 0.00 2.14 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 0.00 2.33 2.42 0.00 84 A 8.20 4.30 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 7.83 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.92 4.70 0.00 3.93 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 88 G 7.66 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.79 4.99 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 0.58 0.00 0.00 0.90 0.00 0.00 90 I 8.80 4.83 2.06 0.00 0.00 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 1.35 0.98 0.97 0.00 0.00 91 L 8.84 4.95 0.00 1.47 1.49 0.88 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.96 4.32 0.00 2.82 2.99 0.00 0.00 6.98 7.89 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 93 H 8.10 4.24 0.00 3.28 3.17 0.00 5.96 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.49 4.14 0.00 3.75 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 95 E 8.46 4.22 0.00 1.98 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 2.32 2.37 0.00 96 A 8.23 4.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.57 0.00 2.19 2.07 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 98 L 8.54 4.80 0.00 1.60 1.58 0.91 1.20 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 99 K 8.26 4.14 0.00 1.78 1.71 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.49 7.81 100 L 8.59 3.91 0.00 1.73 1.67 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.09 4.30 0.00 2.83 2.83 0.00 0.00 7.10 8.08 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 0.00 102 D 7.99 4.32 0.00 2.89 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 0.00 103 L 8.30 3.87 0.00 1.90 1.88 0.90 0.89 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 0.00 104 A 8.17 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.73 3.87 0.00 1.95 2.13 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 106 L 8.57 3.98 0.00 1.61 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.84 3.49 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 1.05 0.00 0.00 0.91 0.00 0.00 108 A 7.54 3.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.00 3.77 0.00 1.91 2.00 0.00 1.51 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 110 A 8.27 3.96 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 0.00 111 K 8.22 3.92 0.00 2.03 1.84 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 112 S 8.04 4.17 0.00 4.01 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 0.00 113 L 7.68 4.31 0.00 1.82 1.73 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.13 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.70 4.81 0.00 1.65 1.46 0.87 1.02 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 0.00 116 D 8.79 4.45 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.41 4.57 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 0.73 0.00 0.00 0.89 0.00 0.00 118 V 8.48 4.83 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 0.98 0.00 0.00 1.03 0.00 0.00 119 V 8.61 4.81 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 1.04 0.00 0.00 0.90 0.00 0.00 120 C 9.18 5.05 0.00 2.95 2.81 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 0.00 121 A 8.71 4.68 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.57 0.00 2.19 2.10 0.00 3.86 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 2.10 2.02 0.00 123 D 7.58 4.68 0.00 2.90 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 0.00 124 P 0.00 4.47 0.00 2.19 2.16 0.00 3.89 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 2.25 2.20 0.00 125 R 7.90 3.89 0.00 1.88 1.93 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 126 T 8.63 3.94 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 127 S 8.28 4.15 0.00 4.10 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 0.00 128 L 7.91 4.05 0.00 1.76 1.95 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.14 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.20 3.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 A 8.26 3.90 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.18 2.58 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 0.00 133 L 7.39 4.04 0.00 1.68 1.65 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 G 7.62 3.66 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 0.00 0.00 0.00 135 P 0.00 4.54 0.00 2.43 2.03 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 136 H 8.72 4.42 0.00 3.27 3.40 0.00 5.58 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 0.00 137 A 8.35 5.37 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 0.00 138 V 8.89 4.75 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 0.93 0.00 0.00 1.05 0.00 0.00 139 A 9.22 5.66 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 0.00 140 V 8.26 4.18 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 0.77 0.00 0.00 0.95 0.00 0.00 141 E 9.54 4.89 0.00 1.95 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 2.17 2.22 0.00 142 P 0.00 4.66 0.00 2.23 2.11 0.00 4.07 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 143 P 0.00 4.30 0.00 2.17 2.10 0.00 3.60 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 144 E 8.19 3.97 0.00 1.93 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 2.32 2.40 0.00 145 L 7.87 4.17 0.00 1.74 1.80 1.01 0.56 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 0.00 146 I 7.19 3.85 2.01 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 1.26 0.63 1.01 0.00 0.00 147 G 8.91 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 0.00 148 T 7.95 4.11 4.14 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 1.25 0.00 0.00 149 G 8.13 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.35 3.88 0.00 1.36 0.66 0.00 3.00 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.16 0.00 151 A 8.30 4.12 1.45 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 0.00 0.00 152 V 8.67 3.78 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 0.89 0.00 0.00 0.97 0.00 0.00 153 S 8.14 4.32 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 0.00 154 R 7.84 4.38 0.00 2.11 1.85 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.00 155 Y 8.69 4.31 0.00 2.95 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 0.00 156 K 8.56 5.20 0.00 1.82 1.70 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.45 7.81 157 P 0.00 4.36 0.00 2.30 2.49 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 158 E 8.27 3.93 0.00 2.09 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 2.41 2.45 0.00 159 A 8.13 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.64 3.71 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.93 0.00 0.00 161 V 7.91 3.57 2.23 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 1.07 0.00 0.00 0.99 0.00 0.00 162 E 8.66 3.94 0.00 2.18 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 2.32 2.36 0.00 163 T 7.70 3.86 4.40 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 1.24 0.00 0.00 164 V 8.15 3.72 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 1.02 0.00 0.00 1.05 0.00 0.00 165 G 8.30 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.21 4.04 0.00 1.72 1.78 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.12 3.72 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.02 0.00 0.00 168 S 7.95 4.35 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.80 3.92 0.00 1.77 2.15 0.00 3.09 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.40 0.00 170 H 8.08 4.20 0.00 2.69 1.83 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 F 8.23 5.14 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 P 0.00 4.30 0.00 2.19 2.37 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 173 E 8.18 4.13 0.00 2.00 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 0.00 2.35 2.39 0.00 174 V 7.83 3.85 2.31 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 0.76 0.00 0.00 1.02 0.00 0.00 175 S 9.01 4.70 0.00 3.97 3.79 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 0.00 176 V 8.32 4.94 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 1.07 0.00 0.00 0.97 0.00 0.00 177 I 8.87 5.06 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.65 0.95 0.00 0.00 178 T 8.37 5.05 4.26 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 1.23 0.00 0.00 179 G 9.01 4.56 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 0.00 0.00 0.00 180 A 9.13 4.17 1.44 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 0.00 0.00 181 G 8.85 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 0.00 182 I 7.71 3.79 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.92 0.00 0.00 183 E 9.37 4.60 0.00 2.01 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 2.46 2.31 0.00 184 S 7.88 5.02 0.00 4.11 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 0.00 185 G 9.30 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 D 8.05 4.47 0.00 2.71 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 0.00 187 D 7.94 4.38 0.00 2.93 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 0.00 188 V 7.71 3.55 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 1.04 0.00 0.00 1.02 0.00 0.00 189 A 8.46 3.97 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 0.00 190 A 8.28 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 8.20 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 L 8.16 4.01 0.00 1.84 1.73 0.92 0.84 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 0.00 193 R 8.15 4.10 0.00 1.92 2.00 0.00 3.15 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 194 L 7.31 4.45 0.00 1.77 1.70 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 195 G 7.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 T 7.51 4.35 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 1.31 0.00 0.00 197 R 9.96 4.53 0.00 1.83 1.91 0.00 3.30 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 198 G 6.88 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 V 8.00 4.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.99 0.00 0.00 200 L 8.96 5.34 0.00 1.80 1.50 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 201 L 9.04 4.40 0.00 1.78 1.72 0.95 0.62 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 0.00 202 A 8.60 4.81 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 S 8.06 3.79 0.00 3.85 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 0.00 204 A 7.99 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 A 7.79 4.05 1.31 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 0.00 206 V 7.70 3.37 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.90 0.00 0.00 207 K 7.89 4.22 0.00 1.68 1.66 0.00 1.44 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 0.91 7.81 208 A 7.34 4.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 K 8.58 4.10 0.00 1.74 1.87 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.39 7.81 210 D 7.58 4.78 0.00 2.63 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 0.00 211 P 0.00 4.20 0.00 2.21 2.08 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 212 Y 8.12 4.03 0.00 3.08 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 0.00 213 A 8.24 3.74 1.48 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 0.00 214 K 8.32 3.82 0.00 1.88 1.90 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.49 7.81 215 I 8.26 3.64 1.94 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 1.39 0.44 0.88 0.00 0.00 216 V 7.61 3.42 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 0.94 0.00 0.00 0.20 0.00 0.00 217 E 7.85 3.85 0.00 1.96 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 2.30 2.33 0.00 218 L 7.91 4.09 0.00 1.75 1.70 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 219 A 8.55 4.16 1.31 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 0.00 220 K 8.15 3.76 0.00 2.03 1.83 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.50 7.81 221 P 0.00 4.48 0.00 2.05 2.10 0.00 3.80 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 2.18 2.16 0.00 222 L 8.13 4.17 0.00 1.65 1.72 0.89 0.91 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 0.00 223 S 7.94 4.38 0.00 4.04 4.18 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 0.00 224 E 8.06 4.40 0.00 1.97 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 2.34 2.38 0.00 225 L 7.59 4.61 0.00 1.49 1.74 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *226 R 8.15 4.15 0.00 1.62 1.73 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.