NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4221 8.3193 115.4215 57.8605 63.6793 174.0353 3 K 3.8684 8.6396 121.8899 56.0083 32.6503 175.3792 4 A 4.3019 9.5793 128.1895 51.6487 20.6514 176.9550 5 K 5.1407 8.8592 122.0988 54.7003 35.2638 175.2165 6 I 4.9861 9.1130 125.8698 59.3986 40.4275 175.1424 7 G 4.2317 9.2880 115.5599 45.9535 0.0000 172.5005 8 I 5.2067 9.2563 124.3305 59.3497 41.0036 174.5427 9 V 4.6626 8.8074 127.5549 61.3505 34.1362 174.4419 10 T 4.5215 8.7825 126.5180 62.6637 69.7906 174.3448 11 V 4.5721 8.7502 128.5301 62.0469 33.0090 174.9646 12 S 4.3618 9.0628 120.5497 56.7820 65.8924 175.5645 13 D 4.3891 9.3097 128.9685 57.7665 40.4674 179.2742 14 R 3.9033 7.9265 115.9841 59.3612 30.2056 178.6017 15 A 4.1500 8.0817 120.5059 55.1463 18.1558 179.6024 16 S 4.0117 8.1804 110.8101 61.4314 62.4750 176.0006 17 A 4.3040 7.6665 122.7577 52.4799 18.2202 175.7572 18 G 3.3777 5.8798 104.3242 44.2430 0.0000 172.6223 19 I 4.6426 7.6656 125.4294 59.3424 41.3327 173.8480 20 Y 4.2496 8.9180 128.0202 60.0506 38.8240 176.2910 21 E 4.5449 7.7996 114.7227 53.7107 32.5858 175.5169 22 D 4.6545 8.4963 121.5362 53.3046 40.3595 176.6653 23 I 3.7850 8.0442 120.5807 63.3975 37.7083 178.3673 24 S 4.2000 8.1863 116.8348 61.5593 62.9696 176.4485 25 G 4.0495 8.9639 110.1206 47.1262 0.0000 175.4229 26 K 3.8298 8.3037 121.7016 59.2595 32.2052 178.4422 27 A 3.9777 8.1202 121.0394 55.4119 18.1145 179.7468 28 I 3.5832 7.5564 117.8086 64.5469 37.1655 178.5629 29 I 3.9104 7.6415 120.4410 64.6970 36.9877 178.0880 30 D 4.3490 8.4272 119.8505 57.7129 40.5923 179.0897 31 T 3.3992 7.8218 115.9281 66.4700 68.3807 176.5312 32 L 3.4003 7.6632 120.8406 57.8658 41.3534 179.3260 33 N 4.6404 8.2751 115.1406 56.7268 38.5489 176.8703 34 D 4.5046 7.6839 119.3154 57.3727 40.7387 178.2725 35 Y 4.3465 7.8958 117.3749 60.0066 38.0998 175.7840 36 L 4.8120 7.7336 119.2776 53.9925 42.8166 176.8294 37 T 4.5029 8.7348 112.6378 61.9389 70.2119 175.3684 38 S 4.4881 7.9218 116.3262 57.4200 64.0449 173.3755 39 E 4.2463 8.6440 123.2799 56.1107 30.0436 175.9253 40 W 5.6037 8.2779 121.5189 55.0380 31.7595 173.3979 41 E 4.4818 9.3705 123.0972 53.4930 31.6417 173.1654 42 P 5.0931 0.0000 0.0000 63.0661 32.5642 175.9280 43 I 4.3845 9.1886 126.1281 60.0121 38.4182 173.4681 44 Y 5.3688 8.5495 128.1225 55.8445 40.9222 174.8153 45 Q 4.2642 8.4675 124.1659 54.1095 33.7096 173.7596 46 V 4.6904 8.0565 123.0754 61.0574 33.3369 174.6143 47 I 4.8357 8.7608 121.0844 58.3523 41.5226 173.1474 48 P 4.7240 0.0000 0.0000 62.1280 32.8541 176.8000 49 D 4.7117 8.8021 120.8164 53.1926 38.6941 175.7265 50 E 4.4566 7.8290 117.5329 53.5613 32.6738 176.2114 51 Q 3.9602 8.9857 125.5650 59.6026 28.9158 178.1489 52 D 4.3411 8.1284 118.9912 57.4371 40.7751 178.9733 53 V 3.5511 7.6872 118.0393 65.9604 31.5787 177.8673 54 I 3.7598 7.6820 120.7844 63.8846 36.9313 178.1498 55 E 3.9398 8.3603 119.4312 59.8224 29.3248 179.5371 56 T 3.8622 8.1023 115.9877 66.7655 68.2810 176.7334 57 T 3.8244 8.0973 111.6567 64.8700 68.6167 176.4002 58 L 3.9859 7.7854 121.1411 57.2897 41.9666 179.2716 59 I 3.8875 7.8855 119.6131 64.2746 37.0637 179.0499 60 K 3.8832 7.8221 117.1099 57.3149 31.9447 177.9281 *62 A 4.3394 7.7391 119.6272 52.0176 20.2104 178.7874 63 D 4.5383 8.6523 114.2229 56.4307 41.3116 177.4840 64 E 4.4278 8.3397 117.0745 57.5615 29.4621 176.8437 65 Q 4.3922 7.9761 114.7543 54.9551 29.3211 175.2155 66 D 4.5709 8.0436 116.3118 55.2442 38.4824 173.6488 67 C 4.5562 7.4627 116.2770 60.0277 28.7329 174.0831 68 C 4.4112 9.0453 120.5413 60.0353 30.9289 173.3400 69 L 5.2899 7.8515 120.6214 53.2079 45.6876 175.0516 70 I 5.0870 9.1047 125.8977 59.6289 40.9916 174.5485 71 V 4.9488 9.1550 120.9222 59.7456 34.4125 174.9587 72 T 4.9711 8.7209 115.9148 60.5449 71.5073 173.5284 73 T 4.9287 9.0894 118.2453 61.6091 70.3655 174.2305 74 G 4.1609 8.1090 113.8745 47.9204 0.0000 172.9513 75 G 3.9828 9.0273 105.5204 47.0032 0.0000 175.0087 76 T 4.3926 7.9177 108.4662 61.0646 69.9170 174.7397 77 G 3.8670 7.4825 111.5337 44.2863 0.0000 171.7041 78 P 4.4889 0.0000 0.0000 62.8140 32.0966 176.1418 79 A 4.1648 7.8236 122.7290 51.9343 19.1143 178.2494 80 K 3.8070 8.7858 121.4818 59.8192 32.0921 178.2148 81 R 4.1550 7.8137 113.4895 56.6953 30.1258 176.3638 82 D 4.6310 7.9558 119.9896 53.9093 39.9589 176.4678 83 V 5.0751 7.9032 115.6387 59.6347 33.7118 178.3799 84 T 3.9079 8.2025 120.3947 66.2870 68.1165 175.0132 85 P 4.5118 0.0000 0.0000 65.3925 31.2524 178.3517 86 E 4.0747 8.2279 116.8215 59.5350 29.0866 179.0439 87 A 4.1634 7.9446 120.5612 55.5903 18.5211 179.8810 88 T 3.8291 7.9923 114.0904 66.8208 68.3177 176.7596 89 E 3.9594 8.3727 119.5394 59.4199 29.5358 178.9796 90 A 4.1159 7.8820 119.8281 54.7821 18.5484 179.2900 91 V 4.0250 7.2846 108.1560 61.3248 32.7851 176.3540 92 C 4.5333 7.3900 116.7124 59.0193 28.7629 173.4893 93 D 4.5684 8.5862 123.2928 54.5751 39.8705 175.8888 94 R 4.4996 7.3601 115.4823 54.5100 32.7007 173.3853 *97 P 4.4196 0.0000 0.0000 62.6872 33.2132 179.0031 98 G 3.7484 8.1037 105.2267 48.2158 0.0000 175.6121 99 F 3.9927 8.4219 119.1350 60.5864 39.1878 177.3947 100 G 3.8142 8.1727 103.4098 47.7254 0.0000 174.8318 101 E 4.1977 8.0533 120.5721 59.1414 29.4583 179.9200 102 L 4.0968 7.6565 118.6678 55.5963 42.3214 178.7526 *104 R 4.2125 8.0163 117.5423 55.7300 32.0847 177.8538 105 A 3.9773 8.1067 118.3378 55.2343 18.6589 179.2825 106 E 3.9257 8.4803 117.4176 59.5780 29.4546 179.7674 107 S 4.3261 7.9885 114.7515 61.5336 62.8112 176.3225 108 L 3.9748 8.0943 120.8771 57.1447 41.4424 178.8021 109 K 4.0881 7.1190 116.0228 56.8485 32.1892 176.8176 110 F 4.8507 7.6117 116.7997 58.4809 40.8695 176.5773 111 V 4.4429 7.5303 114.6474 58.0896 34.1558 174.4331 112 P 4.3750 0.0000 0.0000 65.5454 30.9484 177.6568 113 T 4.1912 7.8657 107.9184 62.7202 69.0194 175.8307 114 A 4.0218 8.2170 125.0893 55.1818 18.1378 179.1737 115 I 3.9125 7.2819 109.1663 62.9529 37.8281 177.4485 116 L 4.2755 7.8279 120.0264 54.8189 42.0787 176.6665 117 S 4.3256 7.4639 114.9674 58.2203 62.8281 173.6831 118 R 4.5712 8.8330 126.5950 55.8368 30.1035 176.2698 119 Q 4.1303 7.6430 116.5153 57.7431 29.0194 175.9529 120 T 4.7976 8.9118 114.7009 61.5523 71.5723 171.5451 121 A 4.8799 8.1327 121.8824 51.2685 22.4705 175.5877 122 G 3.9550 8.2645 105.4768 46.0262 0.0000 171.8912 123 L 5.2423 8.6504 119.6560 52.7148 44.9407 176.3868 124 R 4.8134 8.7887 124.1900 55.0299 31.9863 176.0934 125 G 3.7888 8.5240 117.8680 47.2468 0.0000 172.8573 126 D 4.7622 8.8738 122.6802 52.9174 39.6636 175.3820 127 S 4.8602 8.0378 116.8381 57.4333 65.1914 172.8345 128 L 4.4258 8.5392 127.1370 53.9828 43.5721 175.0320 129 I 4.9590 8.7973 127.3504 59.4681 40.2282 174.7312 130 V 4.5017 8.5788 126.1151 61.0909 34.6369 173.7960 131 N 5.4832 8.9832 125.9943 51.8864 39.5687 174.6959 132 L 4.8840 8.9190 123.7043 52.2219 45.3124 174.7144 133 P 4.9125 0.0000 0.0000 61.9413 32.3355 177.0963 134 G 4.1371 8.5045 107.9964 48.2099 0.0000 175.3691 135 K 3.9803 7.9707 121.4944 55.6851 33.3364 175.2314 136 P 4.2402 0.0000 0.0000 65.7715 31.4262 178.4222 137 K 3.8447 8.0077 117.6353 59.7181 32.0213 178.8516 138 S 4.2787 7.9720 114.8177 61.5026 62.8000 176.1972 139 I 3.7089 8.1892 123.0573 64.7391 36.9128 178.4162 140 R 3.8873 7.9548 119.0688 59.2982 29.9925 178.2315 141 E 4.0666 8.1248 118.2768 59.7271 29.5241 179.2260 142 C 4.2579 8.5175 116.9656 62.7901 28.2192 176.1422 143 L 4.2161 8.2096 120.6084 58.1497 41.0605 179.1734 144 D 4.6658 8.8255 119.0069 56.7013 40.7826 178.7771 145 A 4.1397 7.7808 119.8889 54.8954 18.8424 179.3129 146 V 3.9911 7.9021 109.4221 62.2614 32.5708 178.1494 147 F 3.9595 8.8802 121.2151 60.7064 39.0182 175.0929 148 P 4.1009 0.0000 0.0000 65.0789 31.3418 177.1899 149 A 4.4488 7.9602 118.2538 52.5495 19.0783 179.1956 150 I 3.6427 7.4403 119.4664 63.7305 37.2286 176.3535 151 P 4.0400 0.0000 0.0000 65.7742 31.0165 178.0022 152 Y 4.3856 7.8120 119.0674 60.2702 38.5866 177.2416 153 C 3.9186 7.6567 118.7303 62.5761 31.8596 175.3833 154 I 3.7920 7.8762 121.4400 64.2254 36.4500 177.8555 155 D 4.4467 8.0505 119.8425 57.3665 40.5702 180.9691 156 L 3.8568 7.3511 118.1533 54.2236 41.8059 177.3152 *158 E 4.2243 8.2452 115.3378 56.3323 31.1695 176.2018 159 G 4.1936 7.9502 110.8734 43.6282 0.0000 172.5177 160 P 4.2782 0.0000 0.0000 62.9017 31.7968 175.8178 161 Y 4.2718 8.4325 122.9317 56.3660 38.1273 174.7393 162 L 4.4091 7.9150 127.7023 54.0971 43.0155 176.3736 163 E 4.8380 9.2897 122.4543 54.7744 32.8085 174.8710 164 C 5.2956 8.6189 120.1913 57.7364 31.9787 173.6164 165 N 4.6006 9.2043 120.9279 53.1645 38.5235 175.2740 166 E 4.8244 9.1543 126.1466 56.9332 30.0521 177.2763 167 A 4.2145 7.9418 119.9399 54.4066 18.9628 177.8830 168 V 4.2730 7.9590 114.4125 63.8042 33.6403 175.8118 169 I 4.3485 7.3458 117.8315 59.4952 40.6792 173.1148 170 K 4.6829 8.3602 126.9134 53.8790 32.7472 174.2237 171 P 4.5716 0.0000 0.0000 62.4741 32.1398 175.7561 172 F 4.5687 8.9297 126.6782 56.7330 40.7514 175.3426 173 R 4.0277 7.6229 124.5696 53.2670 32.5831 173.6581 174 P 4.0210 0.0000 0.0000 62.6498 31.5331 176.4690 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.32 4.42 0.00 4.02 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 3 K 8.64 3.87 0.00 1.93 1.93 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.48 7.81 4 A 9.58 4.30 1.41 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 5 K 8.86 5.14 0.00 1.94 1.79 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.65 7.81 6 I 9.11 4.99 2.11 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 0.96 0.00 0.00 7 G 9.29 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 9.26 5.21 2.19 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 1.26 1.03 1.14 0.00 0.00 9 V 8.81 4.66 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 1.03 0.00 0.00 0.92 0.00 0.00 10 T 8.78 4.52 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 1.27 0.00 0.00 11 V 8.75 4.57 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 1.02 0.00 0.00 0.92 0.00 0.00 12 S 9.06 4.36 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.31 4.39 0.00 2.73 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 14 R 7.93 3.90 0.00 1.79 2.01 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 15 A 8.08 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.18 4.01 0.00 3.79 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 17 A 7.67 4.30 1.41 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 18 G 5.88 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.67 4.64 1.90 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 1.51 0.88 0.94 0.00 0.00 20 Y 8.92 4.25 0.00 2.98 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 21 E 7.80 4.54 0.00 2.04 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 2.48 2.39 0.00 22 D 8.50 4.65 0.00 2.92 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 23 I 8.04 3.78 1.89 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 1.67 0.55 0.95 0.00 0.00 24 S 8.19 4.20 0.00 4.07 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 25 G 8.96 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 26 K 8.30 3.83 0.00 1.99 2.00 0.00 1.56 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.61 7.81 27 A 8.12 3.98 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 28 I 7.56 3.58 2.08 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 1.54 0.82 0.93 0.00 0.00 29 I 7.64 3.91 1.99 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.87 0.97 0.00 0.00 30 D 8.43 4.35 0.00 2.80 2.67 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 31 T 7.82 3.40 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 0.31 0.00 0.00 32 L 7.66 3.40 0.00 1.42 0.67 0.56 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.28 4.64 0.00 2.99 2.99 0.00 0.00 7.13 8.88 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 34 D 7.68 4.50 0.00 2.67 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 35 Y 7.90 4.35 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 4.81 0.00 1.63 1.67 0.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.73 4.50 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 1.27 0.00 0.00 38 S 7.92 4.49 0.00 4.13 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 39 E 8.64 4.25 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 40 W 8.28 5.60 0.00 3.48 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.37 4.48 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 42 P 0.00 5.09 0.00 2.16 2.09 0.00 3.40 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 43 I 9.19 4.38 1.95 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 1.20 0.92 0.98 0.00 0.00 44 Y 8.55 5.37 0.00 2.93 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 45 Q 8.47 4.26 0.00 1.82 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 46 V 8.06 4.69 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 0.79 0.00 0.00 0.71 0.00 0.00 47 I 8.76 4.84 1.84 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 1.33 1.13 0.85 0.00 0.00 48 P 0.00 4.72 0.00 2.18 2.11 0.00 3.73 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 1.97 1.98 0.00 49 D 8.80 4.71 0.00 2.83 2.90 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 50 E 7.83 4.46 0.00 1.92 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 2.27 2.20 0.00 51 Q 8.99 3.96 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 52 D 8.13 4.34 0.00 2.79 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 53 V 7.69 3.55 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 1.12 0.00 0.00 0.92 0.00 0.00 54 I 7.68 3.76 1.99 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 1.52 1.41 0.90 0.00 0.00 55 E 8.36 3.94 0.00 2.13 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 2.50 2.51 0.00 56 T 8.10 3.86 4.37 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 1.20 0.00 0.00 57 T 8.10 3.82 4.21 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 1.26 0.00 0.00 58 L 7.79 3.99 0.00 1.77 1.77 0.91 0.81 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 59 I 7.89 3.89 2.05 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 1.40 0.71 0.94 0.00 0.00 60 K 7.82 3.88 0.00 1.83 1.92 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.47 7.81 *62 A 7.74 4.34 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 63 D 8.65 4.54 0.00 2.69 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 64 E 8.34 4.43 0.00 2.15 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 2.26 2.25 0.00 65 Q 7.98 4.39 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.39 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 66 D 8.04 4.57 0.00 2.83 2.76 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 0.00 0.00 0.00 67 C 7.46 4.56 0.00 3.04 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 68 C 9.05 4.41 0.00 3.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 77 G 7.48 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 78 P 0.00 4.49 0.00 2.19 2.17 0.00 3.79 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 1.97 1.96 0.00 79 A 7.82 4.16 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 80 K 8.79 3.81 0.00 1.73 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 81 R 7.81 4.15 0.00 1.84 1.95 0.00 3.42 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 1.62 1.59 0.00 82 D 7.96 4.63 0.00 2.96 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 83 V 7.90 5.08 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 1.11 0.00 0.00 0.94 0.00 0.00 84 T 8.20 3.91 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 85 P 0.00 4.51 0.00 2.16 2.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 114 A 8.22 4.02 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 0.00 115 I 7.28 3.91 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.64 0.91 0.00 0.00 116 L 7.83 4.28 0.00 1.71 1.77 0.93 1.16 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 0.00 117 S 7.46 4.33 0.00 3.88 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 0.00 118 R 8.83 4.57 0.00 1.89 1.92 0.00 3.25 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 119 Q 7.64 4.13 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 120 T 8.91 4.80 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 1.27 0.00 0.00 121 A 8.13 4.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.08 0.48 0.88 0.00 0.00 130 V 8.58 4.50 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 1.07 0.00 0.00 0.65 0.00 0.00 131 N 8.98 5.48 0.00 2.76 2.75 0.00 0.00 6.81 8.52 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 0.00 132 L 8.92 4.88 0.00 1.65 1.58 0.97 0.94 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 0.00 133 P 0.00 4.91 0.00 2.07 2.03 0.00 3.71 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 2.07 2.23 0.00 134 G 8.50 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 0.00 0.00 0.00 0.00 135 K 7.97 3.98 0.00 1.84 1.71 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.53 7.81 136 P 0.00 4.24 0.00 2.18 2.09 0.00 3.66 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 2.12 2.17 0.00 137 K 8.01 3.84 0.00 1.76 1.74 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.43 7.81 138 S 7.97 4.28 0.00 4.05 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 0.00 139 I 8.19 3.71 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 0.78 0.91 0.00 0.00 140 R 7.95 3.89 0.00 1.90 1.89 0.00 3.15 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 141 E 8.12 4.07 0.00 2.28 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 0.00 2.41 2.34 0.00 142 C 8.52 4.26 0.00 3.22 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 0.00 143 L 8.21 4.22 0.00 1.86 1.99 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.83 4.67 0.00 2.90 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 0.00 145 A 7.78 4.14 1.42 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 0.00 0.00 146 V 7.90 3.99 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 0.76 0.00 0.00 1.22 0.00 0.00 147 F 8.88 3.96 0.00 3.33 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 0.00 148 P 0.00 4.10 0.00 2.16 2.09 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 149 A 7.96 4.45 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 0.00 150 I 7.44 3.64 1.00 0.00 0.00 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 1.65 0.69 0.60 0.00 0.00 151 P 0.00 4.04 0.00 2.01 1.91 0.00 3.34 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 152 Y 7.81 4.39 0.00 3.18 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 C 7.66 3.92 0.00 3.12 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.88 3.79 1.92 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 1.46 0.58 0.96 0.00 0.00 155 D 8.05 4.45 0.00 2.67 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 0.00 156 L 7.35 3.86 0.00 1.52 1.53 0.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 *158 E 8.25 4.22 0.00 1.97 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 2.20 2.30 0.00 159 G 7.95 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.28 0.00 2.11 2.27 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 161 Y 8.43 4.27 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.91 4.41 0.00 1.53 1.55 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 163 E 9.29 4.84 0.00 1.94 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 2.44 2.47 0.00 164 C 8.62 5.30 0.00 2.84 2.89 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 0.00 165 N 9.20 4.60 0.00 2.82 2.79 0.00 0.00 7.11 7.54 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 0.00 166 E 9.15 4.82 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 167 A 7.94 4.21 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 0.00 168 V 7.96 4.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.04 0.00 0.00 169 I 7.35 4.35 1.49 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.59 0.00 0.00 170 K 8.36 4.68 0.00 1.78 1.75 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.43 7.81 171 P 0.00 4.57 0.00 1.89 1.92 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 172 F 8.93 4.57 0.00 2.98 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 7.62 4.03 0.00 1.50 1.71 0.00 3.25 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 174 P 0.00 4.02 0.00 2.07 2.05 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.74 0.00 * Residues marked with a * may have inaccurate shift predictions.