NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2013 8.0385 120.6235 55.0546 43.7354 178.3712 3 A 3.6734 7.4725 118.9930 54.9758 18.2135 177.8026 4 K 3.8712 8.1914 115.1955 59.6306 32.9641 178.1784 5 V 3.6499 7.7529 117.7767 65.8303 31.4745 177.8871 6 L 4.0221 8.6879 119.3783 57.6558 41.6068 179.3831 7 K 4.0838 7.9703 119.2256 59.2824 31.9022 178.8760 8 K 3.9666 7.6476 117.8003 59.6275 32.2100 178.8716 9 R 4.3380 7.7818 114.2033 56.0114 29.8264 177.3256 10 G 3.9257 7.9829 107.0597 46.1063 0.0000 175.3748 11 A 4.3342 8.5426 123.3894 53.5109 19.4996 178.3667 12 V 4.6551 7.4169 108.8251 59.4815 34.5134 175.0424 13 L 5.0456 8.9357 127.9939 53.1448 44.9920 175.3660 14 R 5.1439 9.0937 126.2752 55.8740 31.2210 176.7511 15 G 3.6253 8.1292 111.4740 45.9719 0.0000 171.3286 16 D 4.7503 7.5018 121.9979 52.5190 43.2881 176.1157 17 F 5.2075 9.3574 124.4163 55.5805 43.8467 174.1693 18 V 4.8195 8.5916 119.5524 61.3758 33.5746 174.9639 19 L 4.8522 8.8549 128.0466 53.0874 43.6095 177.9832 20 S 3.8589 8.8402 115.5004 60.7334 62.9012 175.5572 21 S 4.2264 7.9269 114.7222 59.3495 63.3072 175.0579 22 G 4.0291 8.8641 110.5868 45.0034 0.0000 174.0495 23 R 4.2668 7.5744 119.3798 55.9306 31.4192 175.8657 24 R 4.7427 8.4844 122.7772 56.0390 31.3650 175.4257 25 S 4.9414 9.5449 119.8604 56.7580 66.2984 174.0738 26 S 5.6817 9.3341 119.0520 58.0906 64.2507 173.5152 27 V 5.4405 8.3320 119.9566 60.4374 34.4691 174.2323 28 Y 4.2251 8.9823 123.8937 55.7054 41.3495 173.9617 29 I 4.7261 7.3355 126.9714 59.6931 39.0994 174.3314 30 D 4.5579 8.8931 125.4632 53.0900 45.0981 175.9064 *32 R 4.4631 8.5699 119.2902 56.3574 31.7416 178.2031 33 R 4.1677 7.8348 115.9697 58.2535 30.0650 178.5339 34 L 4.0018 8.0697 117.8356 57.0635 42.1042 179.0683 35 L 3.9951 7.9650 118.4352 57.4709 41.5442 178.2302 36 G 3.8823 7.5912 104.9094 45.8532 0.0000 173.3922 37 D 4.5409 8.0811 119.6005 51.4127 44.2887 175.0643 38 E 2.5400 8.7658 128.2356 59.0733 29.5052 178.7926 39 S 4.0196 7.7696 113.5982 61.3865 63.0245 176.6541 40 S 4.1090 7.8736 118.4733 61.6280 62.7274 176.2789 41 Y 4.6598 8.1020 120.4280 60.0798 37.7026 178.2660 42 S 4.3329 7.9335 117.4733 61.4947 62.9023 176.6838 43 V 3.5890 7.7304 120.5978 65.8118 31.1932 177.9021 44 A 3.9583 8.1139 120.5061 55.2621 18.2088 179.6311 45 L 4.0541 8.6767 117.9368 58.0449 41.7428 179.2413 46 D 4.3493 8.4111 118.0770 57.3733 41.1405 178.3876 47 L 4.0193 8.1455 119.5804 57.5921 41.6234 179.3615 48 L 3.9524 8.0930 119.2550 57.8617 41.6930 179.6267 49 L 4.1221 8.1946 119.0468 57.6154 41.2812 179.1787 50 E 3.9409 7.8815 118.6110 59.1849 29.6641 178.7319 51 V 4.0297 7.7637 111.1919 63.5656 32.3460 178.3205 52 G 3.6059 9.2177 105.0944 45.1384 0.0000 176.7662 53 G 3.6018 8.4984 104.1582 44.3393 0.0000 176.8679 54 Q 3.9371 9.1929 127.2989 59.5859 28.1803 177.6180 55 D 4.3455 8.1267 120.9860 56.5997 40.6253 178.6432 56 L 3.9269 7.7694 119.5346 58.1934 42.2466 178.6855 57 A 4.1401 7.7834 119.3960 54.8690 18.2840 179.7409 58 R 3.9979 8.1631 116.7205 58.7280 30.7504 177.2965 59 S 4.2311 7.4867 112.3098 57.7406 63.5229 174.5419 60 S 4.6164 9.1855 116.4924 59.6561 63.6956 173.5775 61 A 4.6975 7.6588 120.6100 51.1908 22.6688 174.8290 62 V 4.4500 8.3407 119.7773 61.2136 34.0743 174.5540 63 I 4.9599 8.8411 128.9617 59.5527 39.8338 174.9346 64 G 4.2394 9.0533 114.4420 44.8876 0.0000 173.3046 65 V 4.4553 8.5374 123.1887 60.8146 31.4768 174.4999 66 A 4.1494 8.5076 128.7179 53.1115 18.5876 177.1666 67 T 4.0743 9.1178 118.8500 66.8754 69.5918 178.5630 68 G 3.9589 7.4674 108.6724 47.9990 0.0000 175.6637 69 G 4.0427 8.1679 106.4572 44.3789 0.0000 175.3537 70 L 3.8409 7.9002 123.6769 57.7432 41.9282 176.9708 71 P 3.9806 0.0000 0.0000 65.2829 31.2804 178.3148 72 W 4.3021 7.6855 115.9088 59.7067 29.2682 177.9812 73 A 4.2424 8.3784 120.6287 54.8928 17.7829 179.9072 74 A 4.1407 8.0436 116.4449 52.9593 18.1436 179.2565 *76 L 4.2085 7.9186 122.3168 56.3091 43.9546 179.3011 77 A 3.9780 8.4020 121.6464 55.1962 18.8888 179.3493 78 L 3.9258 8.1672 117.7512 58.2536 42.3433 179.1942 79 R 3.9091 8.0325 117.0019 59.1810 30.0687 176.8297 80 L 4.3099 8.0556 114.8548 54.2519 42.0255 176.4473 81 S 3.7550 7.6423 113.8876 59.9554 60.8568 171.9391 82 K 4.8007 7.9925 117.1495 53.6499 35.5151 175.5433 83 P 4.5040 0.0000 0.0000 62.7798 32.5765 175.0987 84 L 5.2000 8.4749 123.5223 53.6142 44.9512 175.3582 85 G 4.4147 8.7894 110.5852 45.5663 0.0000 170.7516 86 Y 5.3574 8.3184 116.3056 55.8842 41.8643 173.5395 87 V 4.8391 8.7194 121.1763 61.0808 34.4094 174.3983 88 R 5.0701 8.6103 123.9069 53.5060 32.2025 173.9608 89 P 4.4020 0.0000 0.0000 62.5344 31.3627 175.8753 90 E 4.3923 8.4213 122.9774 54.9184 30.6985 176.7753 91 R 4.0176 8.2067 120.5899 56.2092 30.7038 177.0166 92 K 4.2106 8.4192 121.9404 57.0499 33.0783 177.3510 93 G 3.9769 8.9615 109.5333 46.1373 0.0000 173.6774 94 H 4.5499 8.2271 114.7788 55.3579 29.4985 175.8521 95 G 3.9583 8.3294 107.5357 45.5402 0.0000 173.8174 96 T 4.0833 7.6084 115.5742 63.0971 69.1033 173.7128 97 L 4.6982 8.1286 124.7336 52.6203 43.6822 176.9158 98 S 4.3230 8.5312 120.0800 59.0404 63.4458 173.5002 99 Q 4.4752 8.0525 119.3678 55.1261 31.1855 174.9477 100 V 3.9874 8.0427 119.6558 61.0015 30.7515 174.5764 101 E 3.9827 8.1911 126.9288 57.4486 29.7593 177.7848 102 G 3.8643 8.9999 110.8731 44.4644 0.0000 172.9689 103 D 4.3668 7.7398 118.1297 54.3858 40.0161 171.4679 104 P 4.5366 0.0000 0.0000 61.8166 32.4892 174.7278 105 P 4.3903 0.0000 0.0000 62.4184 31.8340 176.8057 106 K 3.5438 8.5261 121.0778 55.5091 32.9293 177.7461 107 G 3.8948 7.8172 107.9199 45.9704 0.0000 170.5059 108 R 5.3001 7.7447 119.5407 55.7087 31.3026 176.9844 109 V 5.0074 8.8035 118.4001 59.7560 36.3941 174.6982 110 V 4.5444 8.1437 121.4203 61.3377 34.3114 174.8134 111 V 4.7076 8.2472 120.4507 60.3677 33.7320 175.1648 112 V 4.9721 8.9797 123.8485 61.2963 34.6857 173.8322 113 D 5.1551 8.8717 126.0543 52.6997 45.0891 175.7830 114 D 4.1182 8.8486 122.2180 55.8395 40.6880 176.2015 115 V 4.8910 7.5370 117.1837 60.3110 34.6715 174.1158 116 A 4.2273 8.9249 130.2348 52.2228 19.9815 175.7848 117 T 4.1757 8.8969 113.9060 62.2541 69.7623 175.0962 118 T 4.0687 8.4347 115.2564 61.4694 70.6158 177.4265 119 G 3.9811 8.2144 111.0697 45.6801 0.0000 175.3853 120 T 3.8461 7.6418 111.3556 64.8269 68.4259 176.6224 121 S 4.1266 8.0053 116.6302 61.3122 63.0681 176.4949 122 I 3.7096 7.6887 122.7377 63.9522 36.9838 177.9576 123 A 4.0220 8.1958 121.9129 55.1988 18.1868 179.8605 124 K 3.9666 8.2175 116.9287 59.7401 32.0217 179.8207 125 S 4.1602 7.8814 115.4993 61.4449 62.6671 176.7673 126 I 3.6910 7.8544 122.5674 64.4575 36.8687 178.2236 127 E 3.9870 8.2247 119.3476 59.4281 29.1587 179.7006 128 V 3.5942 7.7750 118.1029 65.8836 31.6197 178.0413 129 L 4.1228 8.1499 118.8987 58.1356 41.1152 179.8519 130 R 4.4508 8.3748 119.6221 58.8800 29.7655 179.1800 131 S 4.3926 8.1122 113.7000 60.3116 62.8219 175.2353 132 N 4.9345 7.7483 118.3005 52.7189 38.9753 175.7154 133 G 3.7635 7.8461 107.2294 45.2204 0.0000 173.4896 134 Y 4.9107 7.8928 117.6479 56.6935 40.7285 174.5436 135 T 4.9403 8.6488 111.5623 60.0595 71.7931 173.6001 136 V 4.8607 8.3118 123.3742 60.6001 34.2392 174.3330 137 G 4.2483 8.9640 109.0945 45.7548 0.0000 171.5793 138 T 5.3242 7.8557 116.6031 61.5510 73.0069 172.4699 139 A 5.0952 8.9774 127.3495 49.9224 22.2220 174.5478 140 L 5.1317 9.1001 124.7485 53.3536 45.0387 175.7665 141 V 5.4195 8.3683 117.8453 58.6774 36.3587 176.6393 142 L 3.8999 8.4403 121.5316 57.0282 42.7444 177.6452 143 V 4.7988 7.4065 117.6159 60.9505 35.2177 173.3727 144 D 5.0788 8.5717 127.3345 52.5273 42.5868 177.0700 145 R 3.8515 9.0053 125.6606 56.2806 30.6868 176.8270 146 G 3.8753 8.4235 107.1339 47.2222 0.0000 173.5285 147 E 4.6270 8.2827 113.9759 55.8488 30.8204 177.4087 148 G 4.0208 8.6523 108.0537 44.9903 0.0000 176.1313 149 A 4.3092 7.8149 123.0066 54.6080 18.2673 179.5611 150 G 3.6039 8.0605 103.3923 48.1646 0.0000 175.5194 151 E 3.9922 8.0658 120.6630 58.9185 29.3393 179.0645 152 L 3.9714 7.8189 119.4100 58.1962 42.4954 178.7643 153 L 4.1220 8.2104 118.8680 57.5917 41.3067 179.2830 154 A 4.2863 7.8153 121.4321 54.2409 18.5213 180.0666 155 R 4.2542 7.6253 117.2820 55.8235 30.3311 177.2725 *157 G 3.8095 8.0238 103.7232 45.4538 0.0000 173.4041 158 V 4.5268 7.9278 119.1814 60.6208 34.9765 173.9385 159 R 4.6209 8.9446 129.0867 54.9821 31.4308 174.6414 160 L 4.7736 8.4695 129.0421 54.3861 43.3695 175.7310 161 V 4.6300 8.9398 126.1983 61.0715 34.6173 174.2946 162 S 5.4476 8.3888 120.4720 55.3931 65.6788 174.1751 163 V 3.8044 8.4925 121.3308 66.0372 32.0571 175.5450 164 A 4.7096 8.0611 119.6905 51.2528 23.1667 175.6120 165 T 4.8537 8.1542 108.8446 59.7006 71.4131 175.6520 166 L 3.8097 8.3862 124.5291 58.0539 41.9975 179.2987 167 K 3.8332 7.9105 119.0737 59.9425 32.1877 178.6856 168 T 3.8743 7.7784 115.8004 66.6208 68.3418 176.7184 169 I 3.6734 7.6847 121.6775 64.4814 37.0844 178.5872 170 L 3.9977 7.9687 119.8127 57.4925 41.3575 179.2464 171 E 3.9661 8.2737 119.4890 59.2822 29.4065 179.0086 172 K 4.0417 8.0048 117.3754 59.1988 32.2121 178.4408 173 L 4.4780 7.9301 116.3034 53.7953 42.1633 176.7294 174 G 4.0368 8.0868 107.0751 46.0269 0.0000 175.2629 175 W 3.9584 8.6069 131.1684 58.4234 31.0856 176.9617 176 G 4.1927 9.4017 101.7689 45.9105 0.0000 173.3653 177 G 3.8437 8.2968 107.1609 46.2152 0.0000 173.5891 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 L 8.04 4.20 0.00 1.67 1.73 0.82 0.47 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 3 A 7.47 3.67 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 4 K 8.19 3.87 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 V 7.75 3.65 2.20 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 1.10 0.00 0.00 0.94 0.00 0.00 6 L 8.69 4.02 0.00 1.83 1.69 0.85 0.99 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 7 K 7.97 4.08 0.00 1.90 2.00 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.60 7.81 8 K 7.65 3.97 0.00 1.85 1.89 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.66 7.81 9 R 7.78 4.34 0.00 1.87 2.16 0.00 3.43 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 10 G 7.98 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 11 A 8.54 4.33 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 12 V 7.42 4.66 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 0.59 0.00 0.00 1.07 0.00 0.00 13 L 8.94 5.05 0.00 1.89 1.67 1.06 0.74 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 14 R 9.09 5.14 0.00 1.71 1.82 0.00 2.71 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.68 0.00 15 G 8.13 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 16 D 7.50 4.75 0.00 2.45 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 0.00 0.00 0.00 0.00 17 F 9.36 5.21 0.00 3.08 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 18 V 8.59 4.82 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 0.87 0.00 0.00 0.99 0.00 0.00 19 L 8.85 4.85 0.00 1.65 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.84 3.86 0.00 3.98 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 21 S 7.93 4.23 0.00 4.00 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 22 G 8.86 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 23 R 7.57 4.27 0.00 1.76 1.88 0.00 3.13 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 24 R 8.48 4.74 0.00 1.86 1.85 0.00 3.20 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 25 S 9.54 4.94 0.00 3.93 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 26 S 9.33 5.68 0.00 4.17 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 0.00 27 V 8.33 5.44 1.70 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 0.48 0.00 0.00 0.49 0.00 0.00 28 Y 8.98 4.23 0.00 1.43 2.36 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 29 I 7.34 4.73 1.54 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.79 0.74 0.00 0.00 30 D 8.89 4.56 0.00 2.80 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 *32 R 8.57 4.46 0.00 2.13 2.04 0.00 3.20 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 33 R 7.83 4.17 0.00 2.01 2.17 0.00 3.19 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 34 L 8.07 4.00 0.00 2.21 2.06 0.98 0.75 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 35 L 7.97 4.00 0.00 1.67 1.51 0.60 -0.58 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 36 G 7.59 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 37 D 8.08 4.54 0.00 2.75 2.49 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 38 E 8.77 2.54 0.00 1.84 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 1.93 2.21 0.00 39 S 7.77 4.02 0.00 4.03 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 40 S 7.87 4.11 0.00 4.23 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 41 Y 8.10 4.66 0.00 3.12 3.42 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 42 S 7.93 4.33 0.00 4.02 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 43 V 7.73 3.59 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 44 A 8.11 3.96 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 45 L 8.68 4.05 0.00 1.99 1.86 1.09 1.19 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 46 D 8.41 4.35 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 47 L 8.15 4.02 0.00 1.86 1.65 0.89 0.48 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 48 L 8.09 3.95 0.00 1.86 1.70 0.79 0.75 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 49 L 8.19 4.12 0.00 1.85 1.73 0.96 0.77 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 *76 L 7.92 4.21 0.00 1.95 1.80 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.40 3.98 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 78 L 8.17 3.93 0.00 1.81 1.66 0.92 0.63 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 79 R 8.03 3.91 0.00 1.84 2.10 0.00 3.32 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 80 L 8.06 4.31 0.00 1.74 1.70 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.64 3.76 0.00 4.04 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 82 K 7.99 4.80 0.00 1.59 1.70 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.52 7.81 83 P 0.00 4.50 0.00 2.10 1.99 0.00 3.75 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 2.14 2.10 0.00 84 L 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0.00 109 V 8.80 5.01 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 0.74 0.00 0.00 0.95 0.00 0.00 110 V 8.14 4.54 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 1.10 0.00 0.00 0.93 0.00 0.00 111 V 8.25 4.71 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 0.56 0.00 0.00 0.97 0.00 0.00 112 V 8.98 4.97 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 0.97 0.00 0.00 0.94 0.00 0.00 113 D 8.87 5.16 0.00 2.70 2.38 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 0.00 114 D 8.85 4.12 0.00 2.68 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.54 4.89 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 0.76 0.00 0.00 0.82 0.00 0.00 116 A 8.92 4.23 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 0.00 117 T 8.90 4.18 4.20 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 0.00 126 I 7.85 3.69 2.03 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 0.87 0.92 0.00 0.00 127 E 8.22 3.99 0.00 2.18 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 2.34 2.60 0.00 128 V 7.78 3.59 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 1.04 0.00 0.00 1.01 0.00 0.00 129 L 8.15 4.12 0.00 1.90 1.75 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.37 4.45 0.00 1.84 2.00 0.00 3.15 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 131 S 8.11 4.39 0.00 3.92 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 0.00 132 N 7.75 4.93 0.00 2.92 2.93 0.00 0.00 7.19 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 0.00 133 G 7.85 3.76 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 0.00 0.00 0.00 134 Y 7.89 4.91 0.00 3.07 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 0.00 135 T 8.65 4.94 4.27 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 1.23 0.00 0.00 136 V 8.31 4.86 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 0.71 0.00 0.00 0.93 0.00 0.00 137 G 8.96 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 0.00 0.00 0.00 0.00 138 T 7.86 5.32 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 0.00 139 A 8.98 5.10 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 0.00 140 L 9.10 5.13 0.00 1.67 1.60 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 141 V 8.37 5.42 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 0.91 0.00 0.00 0.91 0.00 0.00 142 L 8.44 3.90 0.00 1.47 1.40 -0.52 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 143 V 7.41 4.80 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 0.95 0.00 0.00 0.80 0.00 0.00 144 D 8.57 5.08 0.00 2.78 2.43 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 0.00 145 R 9.01 3.85 0.00 1.73 2.06 0.00 3.23 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 146 G 8.42 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 0.00 147 E 8.28 4.63 0.00 1.88 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 2.17 2.40 0.00 148 G 8.65 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 0.00 0.00 0.00 149 A 7.81 4.31 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 0.00 150 G 8.06 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 0.00 151 E 8.07 3.99 0.00 2.19 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 0.00 2.39 2.41 0.00 152 L 7.82 3.97 0.00 1.70 1.84 0.91 0.93 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 0.00 153 L 8.21 4.12 0.00 1.72 1.79 0.90 0.57 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 0.00 154 A 7.82 4.29 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 0.00 155 R 7.63 4.25 0.00 1.93 1.97 0.00 3.19 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 1.66 1.84 0.00 *157 G 8.02 3.81 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 0.00 0.00 0.00 158 V 7.93 4.53 2.20 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 0.93 0.00 0.00 0.93 0.00 0.00 159 R 8.94 4.62 0.00 1.88 1.88 0.00 3.12 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 160 L 8.47 4.77 0.00 1.65 1.52 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.94 4.63 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 0.92 0.00 0.00 0.91 0.00 0.00 162 S 8.39 5.45 0.00 3.77 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 0.00 163 V 8.49 3.80 2.20 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 0.70 0.00 0.00 0.87 0.00 0.00 164 A 8.06 4.71 1.16 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 0.00 165 T 8.15 4.85 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 1.17 0.00 0.00 166 L 8.39 3.81 0.00 1.67 1.61 0.68 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 167 K 7.91 3.83 0.00 1.82 1.75 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.52 7.81 168 T 7.78 3.87 4.34 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 1.19 0.00 0.00 169 I 7.68 3.67 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.82 0.00 0.00 170 L 7.97 4.00 0.00 1.62 1.68 0.60 -0.32 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 0.00 171 E 8.27 3.97 0.00 2.15 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 2.33 2.37 0.00 172 K 8.00 4.04 0.00 1.97 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.63 7.81 173 L 7.93 4.48 0.00 1.93 1.96 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.09 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 0.00 0.00 0.00 175 W 8.61 3.96 0.00 3.55 3.18 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 0.00 176 G 9.40 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 0.00 177 G 8.30 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 * Residues marked with a * may have inaccurate shift predictions.