NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3032 8.4449 120.2257 55.6364 29.9584 175.1291 7 P 4.3610 0.0000 0.0000 61.9046 31.6058 174.1526 8 R 4.7842 8.1657 117.2921 54.4077 35.6015 174.1237 9 L 4.7766 8.4758 123.0758 55.0784 43.4882 175.4735 10 S 4.6758 8.9635 118.1436 57.7700 67.0046 172.6660 11 R 5.8087 8.6934 118.2882 53.9183 32.7248 175.6388 12 I 4.8390 7.9446 112.6665 58.8899 41.8226 174.2461 13 A 4.5838 8.5303 126.2526 51.8947 18.9225 179.0875 14 I 3.7721 8.7101 116.9564 63.7298 38.1229 178.2327 15 D 4.3681 8.2856 120.3318 57.4012 40.6137 178.1312 16 K 4.0874 7.6165 116.1435 58.4844 32.2415 177.4364 17 L 4.2026 7.3087 119.9540 54.7138 42.1078 176.9342 18 R 4.3751 8.8078 124.3624 54.4644 31.4994 175.2001 19 P 4.9821 0.0000 0.0000 64.7548 31.3173 175.4450 20 T 5.0345 8.7207 111.2642 64.6158 74.6020 172.8721 21 Q 5.3266 8.0917 118.2818 54.2185 32.0024 174.3815 22 I 4.4176 8.5438 117.3934 62.0395 39.4223 176.0054 23 A 5.5563 8.1516 120.9223 50.2497 21.6680 175.6327 24 V 4.6435 9.1133 112.7844 59.4167 36.8727 175.0838 25 G 4.2606 9.0036 109.0950 45.4584 0.0000 174.8379 26 F 4.2812 10.0476 127.1330 60.5060 39.0075 177.7723 27 R 3.9395 8.1435 117.9234 59.3665 29.9226 178.0762 28 E 3.9158 8.3086 119.2773 59.1160 29.5043 178.9434 29 V 3.5878 7.9618 118.4186 65.9814 31.6691 177.8720 30 E 3.9398 8.7320 118.7332 59.2424 29.1492 179.2492 31 L 3.9354 7.8188 118.8682 57.8733 41.8316 179.6496 32 K 3.9113 8.0916 118.1501 59.2324 31.6898 179.7390 33 R 3.9957 7.3885 118.0398 59.1648 30.2419 178.5544 34 K 4.1464 7.6579 116.2381 59.7269 32.4101 178.8102 35 E 4.0462 8.5144 118.8974 59.2438 29.5767 179.0550 36 W 4.4781 8.4587 128.2579 60.8414 30.4866 177.6708 37 R 3.9790 7.5708 116.4570 57.8582 30.2149 175.9230 38 E 4.6272 7.6632 116.9554 56.0355 30.8537 177.0393 39 T 4.5653 7.0795 115.2886 62.5330 69.8325 175.3210 40 R 4.2831 7.4815 117.6049 56.7330 34.4421 177.0979 *47 F 4.4261 7.9115 114.9754 57.2266 39.1329 181.4977 48 L 3.9052 8.2676 128.5156 56.0260 42.2735 176.9221 49 G 4.4751 7.8641 108.7741 46.2054 0.0000 174.4523 50 N 4.6492 8.1764 118.4597 52.9998 39.8536 173.2048 51 H 4.9676 8.7055 115.3519 55.2158 31.0649 174.2110 52 I 4.7596 8.3593 123.0002 59.5652 39.8052 175.3772 53 V 4.5702 8.1789 124.3790 59.2517 35.1710 172.6333 54 P 5.1552 0.0000 0.0000 62.6099 32.8684 175.2893 55 V 5.0390 8.7155 121.9462 60.1316 35.4912 174.0271 56 V 4.7255 8.8373 122.2524 61.2553 34.0230 174.3401 57 A 4.6306 9.2728 130.1632 51.6206 19.7961 177.1863 58 G 4.0977 9.2619 112.7039 43.9511 0.0000 171.4232 59 P 4.3357 0.0000 0.0000 63.2433 32.5352 178.3539 60 K 3.9091 8.3026 119.6119 57.2387 29.7846 176.5177 61 D 4.7653 8.5428 125.1673 55.1623 41.2480 176.6162 62 R 4.0544 7.4512 119.4269 56.4401 31.4571 175.3584 63 A 5.2537 8.3281 123.7896 50.3455 22.0954 174.5072 64 Y 5.1117 8.7426 120.1658 55.8121 40.7306 175.0280 65 L 4.3380 8.9655 127.9746 55.5604 42.1616 176.4130 66 I 4.3233 8.8211 127.4992 63.1714 38.2151 174.8504 67 D 4.8708 7.4524 119.9380 54.4967 43.6873 173.8541 68 H 4.1742 8.8526 108.9072 58.1305 26.2172 177.0678 69 H 4.2616 8.6687 117.7686 59.3343 28.8117 176.5079 70 H 4.0615 8.2867 117.7552 59.0256 28.5757 177.0645 71 L 3.8729 7.9273 121.1467 58.2955 42.0313 179.0178 72 V 3.5041 7.6742 117.8715 65.5335 31.3880 177.6749 73 L 3.8093 8.0630 120.0697 58.0124 41.7359 178.4142 74 A 3.8446 7.2741 118.9067 55.6248 18.4811 179.0106 75 L 3.3553 7.6955 116.7472 57.9529 41.6523 179.7021 76 S 3.9604 8.1859 112.7791 61.5781 62.2995 176.3533 77 K 4.3072 7.7841 117.2308 57.1909 30.7483 177.2518 78 E 4.5614 8.4518 119.7649 55.7182 29.8598 176.6526 79 G 4.0956 7.8110 105.3039 46.4316 0.0000 174.5582 80 V 3.8596 6.9976 119.0049 62.2244 32.3565 175.1450 81 E 4.3675 8.7665 126.7455 57.4396 31.4595 174.7970 82 H 6.1411 8.3043 113.4825 53.0281 32.8870 173.5108 83 V 4.6005 7.9383 117.4490 60.0774 34.7673 174.6305 84 L 4.7642 8.3447 122.4680 55.5721 43.0084 176.0428 85 T 4.9782 8.9563 110.2683 60.7564 72.7952 172.4898 86 S 4.7827 8.8014 118.7075 56.2688 64.8732 172.7068 87 E 4.4979 8.2933 126.8656 56.8017 29.1495 176.6923 88 V 4.3280 8.7795 120.6618 61.6456 32.9535 176.1399 89 A 4.4284 7.5896 121.3727 50.1796 22.7742 175.0953 90 K 4.4283 8.2060 121.8311 54.3702 33.5803 175.7628 91 F 5.2424 8.7002 129.2403 57.4280 39.7164 177.1317 92 S 4.5542 8.3559 113.5699 59.3569 63.0659 173.8564 93 H 4.7375 7.8894 115.4544 55.6338 29.1000 174.8609 94 L 4.3851 7.1824 120.2160 53.6000 42.7810 177.2547 95 G 3.8825 8.3133 108.4277 44.4630 0.0000 175.0598 96 K 4.0232 8.4435 119.2855 59.3933 31.9749 179.2967 97 D 4.4967 8.1263 117.9312 57.3115 41.2032 177.7684 98 E 3.8986 8.1293 119.4010 59.1710 29.5454 178.1207 99 F 3.8695 7.9589 119.5873 61.3121 39.4093 176.9174 100 W 3.9268 7.7671 117.1463 59.5161 28.6145 178.2157 101 S 4.2912 7.8279 113.2421 61.0671 61.8724 176.9656 102 V 3.3859 7.5233 120.2312 63.1099 30.7790 177.0565 *104 D 4.5659 8.1715 118.4218 53.7766 42.8683 176.4499 105 H 4.2559 7.7058 117.0291 57.8879 30.0507 175.7558 106 R 4.3902 7.9002 116.0425 55.0373 30.5219 175.8010 107 N 4.3121 7.3910 113.9841 54.8607 36.4091 174.5113 108 L 4.8473 7.9313 113.2895 54.3646 42.9765 176.8644 109 I 5.0063 7.7229 111.5272 59.3471 40.6354 175.0341 110 Y 4.2651 8.7919 122.8454 55.3870 39.4547 173.4510 111 P 4.6421 0.0000 0.0000 61.4384 31.0291 176.3232 112 F 4.7014 6.9606 115.7710 55.9818 42.0381 175.9956 113 D 4.6505 8.4453 125.0313 52.0923 40.4653 176.8423 114 A 4.1791 9.5481 122.7061 54.5252 18.2038 178.1950 115 Q 4.4314 9.7550 114.4153 55.3197 29.4259 176.8028 116 G 4.0802 8.6834 107.5466 44.9039 0.0000 173.8688 117 L 4.3102 7.7942 120.4634 54.2747 43.0778 176.1396 118 R 3.4391 8.5299 124.3952 56.0653 30.3786 175.6511 119 R 4.5907 7.9379 125.4543 53.8763 33.3587 176.0607 120 Q 3.9980 8.2666 119.6302 56.0432 29.6379 178.1563 121 S 3.8192 8.2481 115.2538 60.8172 63.1097 177.0273 122 G 3.4796 7.7426 108.5978 48.3705 0.0000 173.7707 123 D 4.5281 7.5257 117.2012 54.2577 41.0081 176.3675 124 I 3.9065 7.1242 122.0491 59.7874 37.4966 174.3960 125 P 4.4473 0.0000 0.0000 63.2257 31.5508 175.9883 126 K 4.6883 8.0909 117.8305 55.8501 32.8947 176.0409 127 N 4.5453 8.0563 112.4423 52.5206 42.6444 175.5160 128 I 3.7055 8.6455 124.7027 65.0193 37.2856 177.2117 129 H 4.4686 8.3047 112.3091 57.1300 28.3307 175.1782 130 D 4.8364 7.7005 119.3534 54.0096 41.0370 176.0730 131 L 4.3878 8.0012 120.8532 55.2009 41.9128 177.2992 132 E 4.2770 9.4434 124.0154 56.2105 31.2652 175.4698 133 D 4.8296 8.2774 121.8102 53.3162 42.1830 175.4765 134 D 4.9126 10.0855 128.7589 52.1493 41.7869 174.8668 135 P 4.2945 0.0000 0.0000 66.1777 31.1882 178.2431 136 F 4.0317 8.4463 117.0142 59.9886 38.7426 177.2217 137 R 3.7608 8.1948 118.4715 59.6658 29.6969 178.7942 138 S 4.1493 8.0089 114.2589 61.3425 62.8639 175.9251 139 L 3.9545 8.2432 123.0834 58.3824 41.7856 178.9029 140 A 4.2015 8.6487 120.9776 55.2263 18.1001 179.7840 141 G 3.8445 8.5184 104.5729 47.5071 0.0000 175.5461 142 A 4.1620 8.0948 122.4175 54.3669 18.6880 179.2499 143 L 3.9735 8.5947 120.1344 58.0417 42.1531 180.7673 144 R 2.5100 7.4630 118.1718 55.7241 29.8195 177.5115 *146 A 4.0775 8.0886 119.5627 50.3581 20.4359 177.3922 147 G 3.5856 8.0270 103.7174 46.4663 0.0000 175.1348 148 G 3.6273 7.4815 109.2686 46.5822 0.0000 173.2466 149 Y 4.7100 6.5140 115.4504 56.2542 40.5989 173.3468 150 A 4.7895 8.3357 118.8006 49.6934 21.9207 176.5672 151 K 4.1677 8.7122 119.5726 57.2341 32.9895 176.5038 152 V 4.2752 7.7419 117.7773 62.4768 33.9352 172.9666 153 I 3.8810 8.4869 125.8160 63.6862 37.3473 176.8837 154 I 3.6244 8.2120 121.2323 62.1989 36.5716 173.7278 155 P 3.5693 0.0000 0.0000 62.0905 30.1474 175.6846 156 F 4.0882 8.2035 122.7810 58.1659 36.9868 177.9247 157 S 4.2350 7.6521 118.5519 62.2677 62.6092 176.1410 158 E 4.1323 8.3882 120.2425 59.7488 29.1336 179.3887 159 F 4.2153 8.2594 117.2750 60.4534 38.8449 177.9932 160 G 3.6004 8.3691 105.5784 47.4631 0.0000 175.9439 161 W 4.1414 8.2185 120.4662 59.0609 29.0859 178.4594 162 A 4.1996 8.4324 121.4061 55.5500 17.7445 179.3991 163 D 4.5536 8.3602 116.1731 57.4531 40.6409 178.6169 164 F 4.3836 8.0935 120.9257 60.9394 39.3116 177.4803 165 L 4.0238 8.2159 118.7411 57.5612 41.3842 179.0420 166 R 2.5100 7.9590 117.7854 58.2021 29.8452 177.5536 167 R 4.2978 7.0828 114.0804 56.5535 30.8400 176.7138 168 R 4.4689 8.0253 114.9729 55.0432 32.3053 175.1244 169 I 4.5498 7.5597 118.1526 58.8620 40.1266 174.8397 170 D 4.5845 8.6810 125.5022 53.0973 40.1129 177.3806 171 R 4.0326 9.0351 120.8687 60.1512 30.0233 178.6736 172 D 4.3755 9.2486 118.6908 57.4208 40.5877 178.5783 173 L 4.0761 7.7499 119.3419 57.1191 42.4432 178.7128 174 L 4.0498 7.8608 119.6519 57.5352 41.6063 179.2403 175 S 4.1834 7.9196 111.5622 61.3163 63.1760 174.5758 176 D 4.7337 7.9959 118.3811 52.8087 40.8847 176.9789 177 S 5.3898 7.2128 117.2005 56.8204 64.5882 177.2234 178 F 3.8138 8.1889 131.3970 61.6022 39.1969 175.6347 179 D 4.4549 7.9930 117.2999 56.1680 41.2964 177.9763 180 D 4.3621 8.1264 118.9458 57.5735 40.9314 178.8750 181 A 3.8598 7.6520 120.1834 55.2242 18.1328 179.3331 182 L 3.7328 7.5808 117.3808 58.2957 42.1502 178.7731 183 A 4.1362 8.0127 120.1926 54.9227 18.6527 178.9659 184 E 4.0996 8.6094 117.8766 58.7730 29.5751 178.3352 185 A 4.4601 7.5455 118.5228 52.6736 18.3675 178.7760 *187 K 4.2114 7.9500 123.3012 57.9044 34.2236 178.0220 188 L 4.2540 7.9986 117.9790 57.9738 41.6023 179.2680 189 A 4.7692 8.3738 119.4247 54.2105 18.3709 178.2224 190 K 4.2339 7.8641 114.1019 57.2658 33.0499 177.2845 191 S 4.6125 7.9166 113.6235 57.5886 64.0308 175.3554 192 R 3.8990 8.8131 119.6666 59.4182 29.9650 178.9579 193 E 3.9080 7.6870 115.4933 59.1189 29.6605 177.8388 194 A 3.7411 7.8978 119.3038 51.1123 19.5972 178.5205 195 R 2.0000 6.8306 113.5010 58.3102 29.0488 177.1133 196 H 4.4058 7.1780 111.1455 55.4654 29.4436 175.2426 197 L 3.8540 7.1253 122.0486 53.1007 42.1122 174.5083 198 P 4.4308 0.0000 0.0000 64.1768 31.9304 176.9716 199 G 4.1551 9.1733 109.8907 44.7692 0.0000 173.0444 200 W 4.7522 7.6869 129.1875 58.6172 31.0388 175.4614 201 C 4.3367 7.1386 121.1264 59.4840 32.4623 174.2399 202 G 3.3067 4.0000 106.8777 42.9590 0.0000 173.4007 203 V 3.8250 7.9108 118.6825 62.4119 32.2659 176.1855 204 E 4.5494 8.7953 124.7745 56.8167 29.4972 176.2939 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 6 E 8.44 4.30 0.00 1.95 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 2.21 2.40 0.00 7 P 0.00 4.36 0.00 2.12 1.98 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 8 R 8.17 4.78 0.00 1.69 1.74 0.00 3.11 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 9 L 8.48 4.78 0.00 1.63 1.55 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.96 4.68 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.69 5.81 0.00 1.66 1.83 0.00 3.21 0.00 0.00 3.96 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.42 0.00 12 I 7.94 4.84 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 1.28 1.14 0.90 0.00 0.00 13 A 8.53 4.58 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 14 I 8.71 3.77 1.82 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 1.23 0.65 0.88 0.00 0.00 15 D 8.29 4.37 0.00 2.65 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 16 K 7.62 4.09 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.54 7.81 17 L 7.31 4.20 0.00 1.69 1.58 0.89 1.26 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 18 R 8.81 4.38 0.00 0.76 1.83 0.00 3.44 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.00 19 P 0.00 4.98 0.00 2.24 2.29 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00 20 T 8.72 5.03 4.75 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 1.53 0.00 0.00 21 Q 8.09 5.33 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 22 I 8.54 4.42 2.10 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 0.93 0.00 0.00 23 A 8.15 5.56 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 24 V 9.11 4.64 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 0.87 0.00 0.00 1.19 0.00 0.00 25 G 9.00 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 0.00 0.00 0.00 0.00 26 F 10.05 4.28 0.00 3.31 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 27 R 8.14 3.94 0.00 1.82 1.83 0.00 2.47 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.00 28 E 8.31 3.92 0.00 2.06 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 2.23 2.25 0.00 29 V 7.96 3.59 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 0.81 0.00 0.00 1.03 0.00 0.00 30 E 8.73 3.94 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 31 L 7.82 3.94 0.00 1.90 1.69 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.09 3.91 0.00 1.80 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 33 R 7.39 4.00 0.00 1.99 2.03 0.00 3.38 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 34 K 7.66 4.15 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 35 E 8.51 4.05 0.00 2.06 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 2.34 2.57 0.00 36 W 8.46 4.48 0.00 3.40 3.39 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 37 R 7.57 3.98 0.00 2.07 1.91 0.00 3.67 0.00 0.00 3.50 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 38 E 7.66 4.63 0.00 1.85 1.74 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 2.18 2.23 0.00 39 T 7.08 4.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 40 R 7.48 4.28 0.00 1.77 1.74 0.00 3.30 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 *47 F 7.91 4.43 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.27 3.91 0.00 1.59 1.75 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.86 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.18 4.65 0.00 2.74 2.87 0.00 0.00 7.01 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.68 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 60 K 8.30 3.91 0.00 1.89 1.82 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.39 7.81 61 D 8.54 4.77 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.45 4.05 0.00 1.85 1.54 0.00 3.12 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 63 A 8.33 5.25 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 64 Y 8.74 5.11 0.00 3.16 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.97 4.34 0.00 1.64 1.61 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.82 4.32 2.17 0.00 0.00 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 1.40 1.09 1.01 0.00 0.00 67 D 7.45 4.87 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 76 S 8.19 3.96 0.00 3.92 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 77 K 7.78 4.31 0.00 1.84 1.76 0.00 1.56 0.00 0.00 1.53 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.42 7.81 78 E 8.45 4.56 0.00 1.79 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 2.31 2.29 0.00 79 G 7.81 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.00 3.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 81 E 8.77 4.37 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.17 0.00 82 H 8.30 6.14 0.00 3.01 3.21 0.00 5.97 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.94 4.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.94 0.00 0.00 84 L 8.34 4.76 0.00 1.87 1.63 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.96 4.98 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 1.25 0.00 0.00 86 S 8.80 4.78 0.00 3.89 3.75 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 87 E 8.29 4.50 0.00 2.00 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 2.29 2.24 0.00 88 V 8.78 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 0.79 0.00 0.00 0.94 0.00 0.00 89 A 7.59 4.43 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.21 4.43 0.00 1.65 1.67 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.38 7.81 91 F 8.70 5.24 0.00 3.35 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.36 4.55 0.00 3.99 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.07 0.00 0.00 0.00 0.00 1.48 1.49 7.81 127 N 8.06 4.55 0.00 2.69 2.75 0.00 0.00 6.97 7.43 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 0.00 128 I 8.65 3.71 1.88 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 1.45 0.82 0.91 0.00 0.00 129 H 8.30 4.47 0.00 3.26 3.43 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.70 4.84 0.00 2.65 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 0.00 131 L 8.00 4.39 0.00 1.66 1.81 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 132 E 9.44 4.28 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 133 D 8.28 4.83 0.00 1.58 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 0.00 0.00 0.00 134 D 10.09 4.91 0.00 3.11 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 0.00 135 P 0.00 4.29 0.00 2.06 2.26 0.00 3.94 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 136 F 8.45 4.03 0.00 3.43 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 R 8.19 3.76 0.00 1.92 2.24 0.00 2.79 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 138 S 8.01 4.15 0.00 4.23 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 0.00 139 L 8.24 3.95 0.00 1.60 1.87 0.41 1.24 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 0.00 140 A 8.65 4.20 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.52 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 0.00 142 A 8.09 4.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.59 3.97 0.00 1.88 1.78 0.91 -0.29 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 0.00 144 R 7.46 2.51 0.00 0.67 1.45 0.00 3.06 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 *146 A 8.09 4.08 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 0.00 147 G 8.03 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 0.00 148 G 7.48 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 0.00 149 Y 6.51 4.71 0.00 2.87 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 A 8.34 4.79 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 0.00 151 K 8.71 4.17 0.00 1.66 1.79 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 152 V 7.74 4.28 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 0.80 0.00 0.00 1.04 0.00 0.00 153 I 8.49 3.88 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 1.43 0.67 0.92 0.00 0.00 154 I 8.21 3.62 1.91 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 1.45 0.77 0.96 0.00 0.00 155 P 0.00 3.57 0.00 2.32 2.01 0.00 3.81 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 2.15 2.18 0.00 156 F 8.20 4.09 0.00 3.23 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 S 7.65 4.24 0.00 4.18 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 0.00 158 E 8.39 4.13 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 159 F 8.26 4.22 0.00 3.22 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 0.00 160 G 8.37 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 W 8.22 4.14 0.00 3.43 3.27 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 0.00 162 A 8.43 4.20 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 D 8.36 4.55 0.00 2.78 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 0.00 164 F 8.09 4.38 0.00 2.89 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.22 4.02 0.00 2.25 2.02 1.23 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.96 2.51 0.00 0.93 1.68 0.00 3.12 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.00 167 R 7.08 4.30 0.00 1.81 1.80 0.00 3.22 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 168 R 8.03 4.47 0.00 1.37 1.72 0.00 2.21 0.00 0.00 2.84 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.26 0.00 169 I 7.56 4.55 2.10 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 1.50 0.64 0.95 0.00 0.00 170 D 8.68 4.58 0.00 2.93 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 0.00 171 R 9.04 4.03 0.00 1.94 2.13 0.00 3.41 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.87 0.00 172 D 9.25 4.38 0.00 2.84 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 0.00 173 L 7.75 4.08 0.00 1.81 1.66 0.87 1.05 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 0.00 174 L 7.86 4.05 0.00 1.70 1.52 -0.23 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 175 S 7.92 4.18 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.00 4.73 0.00 2.91 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 0.00 177 S 7.21 5.39 0.00 4.15 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 0.00 178 F 8.19 3.81 0.00 3.22 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 0.00 179 D 7.99 4.45 0.00 2.76 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 0.00 180 D 8.13 4.36 0.00 2.80 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 0.00 181 A 7.65 3.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.58 3.73 0.00 1.63 1.67 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.01 4.14 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 0.00 184 E 8.61 4.10 0.00 2.16 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 2.33 2.34 0.00 185 A 7.55 4.46 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 *187 K 7.95 4.21 0.00 1.87 2.06 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 188 L 8.00 4.25 0.00 2.18 2.13 0.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 189 A 8.37 4.77 1.55 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 0.00 0.00 190 K 7.86 4.23 0.00 2.10 1.88 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.48 7.81 191 S 7.92 4.61 0.00 4.13 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 0.00 192 R 8.81 3.90 0.00 1.95 2.02 0.00 3.21 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 193 E 7.69 3.91 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 194 A 7.90 3.74 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 R 6.83 2.00 0.00 0.99 0.78 0.00 2.75 0.00 0.00 2.97 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.32 0.00 196 H 7.18 4.41 0.00 3.11 3.29 0.00 5.72 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 0.00 197 L 7.13 3.85 0.00 0.67 0.13 -1.53 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.43 0.00 2.26 2.08 0.00 3.39 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 199 G 9.17 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 W 7.69 4.75 0.00 3.33 3.20 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 0.00 201 C 7.14 4.34 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 4.00 3.31 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 0.00 203 V 7.91 3.82 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 0.88 0.00 0.00 0.90 0.00 0.00 204 E 8.80 4.55 0.00 2.10 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 2.61 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.