NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7273 8.2833 119.7056 53.0503 40.1943 172.3610 3 T 4.2042 7.8141 110.6624 63.4140 72.7217 172.2040 4 Y 4.8373 9.3853 121.1669 57.1878 42.9047 174.0250 5 S 5.8517 8.8013 120.1908 56.1133 65.8663 174.1688 6 I 4.4229 8.2139 124.2188 59.8201 40.4502 174.4116 7 T 5.0710 8.5926 123.6219 63.8112 68.9592 173.7097 8 L 5.0060 9.3385 124.3488 52.4639 46.7068 174.2217 9 P 4.9740 0.0000 0.0000 61.5465 33.3630 175.0578 10 W 4.4918 8.8273 130.7782 56.3738 30.9485 174.1959 11 P 3.5140 0.0000 0.0000 61.0420 31.5772 174.2537 12 P 4.1938 0.0000 0.0000 63.0089 31.8705 176.2074 13 S 3.9122 8.7140 115.5211 58.4144 62.9405 174.9209 14 N 4.2871 8.8952 123.5325 56.2653 38.4995 175.8234 15 N 4.4992 7.4713 117.3965 57.2120 39.2760 176.7041 16 R 4.1602 8.4601 117.5049 58.3185 30.6171 177.6683 17 Y 4.0947 7.9942 118.8965 58.7326 38.8791 173.4655 18 Y 5.3198 7.8077 117.4532 57.4980 42.3482 173.7745 19 R 4.6147 8.2236 118.2802 57.5314 33.3307 171.2998 *20 H 4.6872 8.7259 109.1937 58.6507 32.3872 170.1068 21 N 4.7283 7.8968 124.2062 52.1425 38.3119 177.1081 22 R 4.1140 8.6145 115.9764 59.1415 28.7873 173.0207 23 G 4.2340 8.9955 120.9183 46.5308 0.0000 173.8698 24 R 3.8115 6.8226 116.9604 56.6367 29.6383 177.8113 25 T 4.6546 8.4111 119.4418 61.3002 69.3472 173.5572 26 H 5.1029 8.2850 122.5376 53.2974 31.6644 173.3343 27 V 3.8698 8.8893 115.2550 62.0187 32.6045 176.1534 28 S 4.5154 8.3287 118.1018 57.1145 65.6565 174.4358 29 A 3.8840 8.7785 120.4497 56.0724 17.8909 179.6878 30 E 4.2353 8.2642 116.0240 59.7151 29.5772 178.9342 31 G 2.7834 7.9515 107.2384 46.2802 0.0000 175.5056 32 Q 3.4767 8.2055 118.5854 57.7049 29.4862 179.8100 33 A 3.9230 8.7180 122.0104 56.2771 18.4675 178.1429 34 Y 4.0191 8.4075 115.7307 60.4768 38.7916 179.9607 35 R 3.7851 8.3920 116.9538 59.3112 30.6110 177.6890 36 D 4.3074 8.2206 118.5712 56.8613 40.3011 178.1690 37 N 4.2046 8.0440 118.4147 56.1458 39.1570 176.5057 38 V 3.5965 7.9780 119.7656 64.5935 32.0088 177.2396 39 A 4.0915 8.2390 120.9380 55.0223 18.1554 180.0451 40 R 3.7622 7.7501 116.2478 59.4261 30.2927 178.5555 41 I 3.6000 6.9609 119.2527 64.6505 36.9049 178.1977 42 I 3.5326 8.0872 122.9764 65.1982 36.9299 179.3602 43 K 4.0787 8.2205 123.8196 59.6358 31.2944 180.1949 44 N 4.5914 8.6203 115.6303 55.7861 38.5251 176.5307 45 A 3.9388 8.2651 124.8431 53.6641 18.8003 177.0536 46 M 3.2613 9.4407 114.0553 57.7085 31.0423 176.4754 47 L 4.6860 7.4040 113.5771 54.2098 42.9887 177.1734 48 D 5.6192 8.0962 116.8184 51.9486 38.2025 175.7359 49 I 4.3971 7.3069 111.8299 59.8354 39.8035 176.5676 50 G 3.9211 8.0845 108.3724 45.9982 0.0000 173.1687 51 L 3.6586 7.5016 120.0308 55.4279 42.1691 177.1656 52 A 4.8754 8.5001 128.4839 52.0356 19.6455 174.9126 53 M 4.4156 7.8474 117.9643 54.6637 33.6706 173.8261 54 P 4.9109 0.0000 0.0000 62.9145 32.0475 175.8829 55 V 4.6955 8.2477 116.4277 59.3935 35.4455 174.2866 56 K 5.1705 8.6694 123.5239 54.8728 34.8394 174.9395 57 I 5.3284 9.0056 127.9908 59.4927 41.0836 174.4827 58 R 5.1765 8.7777 121.4172 54.5859 32.2380 174.7056 59 I 4.5979 9.4103 125.2294 59.7384 39.3506 174.8729 60 E 4.7161 9.4238 129.2695 55.5326 30.6010 176.0524 61 C 4.7090 9.2840 124.9860 59.6078 29.5428 173.1619 62 H 4.9974 9.3633 123.9587 53.5441 27.7711 173.5812 63 M 3.7043 8.3190 120.8958 55.1231 32.9165 175.2188 64 P 4.5806 0.0000 0.0000 62.6003 32.2530 175.3164 65 D 4.2607 7.0416 118.5850 54.7028 41.6797 176.5628 66 R 4.4869 8.5156 119.0491 56.2859 29.8288 172.1908 67 R 4.0951 8.4488 121.0774 57.3581 30.5106 177.7017 68 R 4.0968 8.4740 121.2062 56.6925 29.9544 173.8475 69 R 4.6442 7.9235 115.4562 54.4800 32.1109 174.3676 70 N 4.5656 8.4635 118.0456 53.1215 39.5341 176.3752 71 L 4.1156 8.6647 123.0997 57.8750 41.7524 179.2353 72 D 4.3248 8.2259 118.6284 56.8252 38.4667 178.4859 73 N 4.2589 7.7680 116.3483 55.7816 38.4824 177.3688 74 L 3.6893 7.9292 120.9459 57.3605 41.6549 178.8222 75 Q 3.6892 7.8048 119.1168 58.9157 29.0067 177.8049 76 K 3.6371 8.0713 120.3930 59.7859 32.0718 178.5091 77 A 3.6621 7.4388 119.7560 54.8585 18.2743 179.2616 78 A 4.0267 7.9406 119.2938 55.5020 18.5473 179.5232 79 F 4.4503 8.6645 115.9056 61.2184 39.1517 177.6747 80 D 4.5017 8.4331 117.0371 57.5154 41.0927 178.0798 81 A 4.2760 8.1156 120.2158 54.2691 18.6062 179.4705 82 L 3.7056 7.8729 117.8283 57.7138 41.4143 179.5750 83 T 4.1010 8.0569 115.8086 66.8128 68.2831 176.9738 84 K 4.1873 7.8358 118.2770 58.9379 32.2216 178.5472 85 A 4.2012 8.4262 118.7792 51.3360 19.3976 177.0204 86 G 3.7842 7.6369 104.7531 46.7451 0.0000 175.2140 87 F 4.7535 8.4178 122.4067 58.3528 40.4797 175.0858 88 W 5.1155 6.6363 113.4280 53.3966 31.0803 174.0295 89 L 4.0592 8.5643 120.7415 56.3041 40.3612 177.3602 90 D 4.5546 8.5278 120.4700 54.2384 43.0991 175.8793 91 D 3.3700 8.2972 123.7085 52.9653 39.8283 177.7278 92 A 4.0133 8.2070 123.6848 54.4641 18.7604 179.0051 93 Q 3.8075 7.4262 115.6456 58.6043 28.8142 176.2552 94 V 3.9554 6.6530 116.5530 63.2542 30.1384 175.7751 95 V 3.8728 8.0100 120.3460 62.5635 32.1520 176.4938 96 D 4.5854 7.6587 118.7645 53.7822 43.2400 173.4735 97 Y 5.5289 8.5672 123.7278 55.3255 41.7602 174.9592 98 R 4.3894 8.9033 120.5265 54.9527 33.4293 173.8254 99 V 4.7770 8.4739 126.4986 61.9274 33.2146 175.1315 100 V 4.5652 8.8132 128.4952 61.7834 35.4040 174.5103 101 K 4.7805 8.7346 130.6734 55.1133 32.4821 174.6475 102 M 4.8624 9.0969 125.1556 51.6521 35.2656 173.5696 103 P 4.6445 0.0000 0.0000 61.8469 33.0439 176.2305 104 V 4.3871 8.2870 120.0047 63.4948 31.9607 175.0356 105 T 4.5961 8.2213 121.0032 59.5836 70.7919 172.7701 106 K 3.8557 8.7568 129.4384 58.4563 32.6889 174.5028 107 G 4.1685 8.5921 117.0383 45.4495 0.0000 174.4008 108 G 3.9278 8.0506 105.8385 45.3966 0.0000 172.6536 109 R 5.1317 8.5983 120.9979 54.2891 34.5789 174.2838 110 L 5.4063 9.3846 121.2018 53.1779 44.9801 175.2903 111 E 5.0230 9.3696 123.4873 54.6552 32.0330 174.8238 112 L 5.3059 8.5356 124.5523 53.3189 44.9921 175.9366 113 T 4.7766 8.8212 119.0404 62.1169 71.8193 172.5682 114 I 5.0641 9.1307 128.3001 60.0876 39.8976 175.2068 115 T 5.0709 9.0041 124.8804 61.9992 71.7028 174.0981 116 E 4.4160 8.5542 123.4690 57.7094 30.6301 174.2520 117 M 4.3378 8.3138 120.4709 55.6120 33.1650 174.9216 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 N 8.28 4.73 0.00 2.43 2.82 0.00 0.00 6.53 6.34 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 3 T 7.81 4.20 4.09 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 1.22 0.00 0.00 4 Y 9.39 4.84 0.00 3.19 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 5 S 8.80 5.85 0.00 3.75 3.78 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 6 I 8.21 4.42 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.46 0.79 0.00 0.00 7 T 8.59 5.07 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 8 L 9.34 5.01 0.00 1.56 1.54 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.97 0.00 2.24 2.16 0.00 3.53 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 10 W 8.83 4.49 0.00 3.71 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 11 P 0.00 3.51 0.00 1.43 0.86 0.00 2.44 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.28 0.00 12 P 0.00 4.19 0.00 2.19 2.10 0.00 3.50 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 2.26 2.15 0.00 13 S 8.71 3.91 0.00 4.04 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 14 N 8.90 4.29 0.00 2.64 2.91 0.00 0.00 7.14 7.79 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 15 N 7.47 4.50 0.00 2.63 2.87 0.00 0.00 7.21 7.53 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 16 R 8.46 4.16 0.00 1.91 2.00 0.00 3.25 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 17 Y 7.99 4.09 0.00 3.16 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 18 Y 7.81 5.32 0.00 2.91 2.88 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 19 R 8.22 4.61 0.00 1.64 1.78 0.00 3.21 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 *20 H 8.73 4.69 0.00 2.85 2.91 0.00 7.16 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.90 4.73 0.00 2.64 2.68 0.00 0.00 6.97 7.66 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 22 R 8.61 4.11 0.00 1.82 1.82 0.00 3.36 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 23 G 9.00 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 24 R 6.82 3.81 0.00 1.87 1.77 0.00 3.24 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 25 T 8.41 4.65 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 1.10 0.00 0.00 26 H 8.29 5.10 0.00 3.13 3.40 0.00 5.32 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.89 3.87 1.76 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 0.59 0.00 0.00 0.93 0.00 0.00 28 S 8.33 4.52 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.78 3.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.26 4.24 0.00 1.99 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 2.48 0.00 31 G 7.95 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 0.00 0.00 0.00 32 Q 8.21 3.48 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 33 A 8.72 3.92 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 34 Y 8.41 4.02 0.00 3.11 3.16 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 35 R 8.39 3.79 0.00 2.12 1.88 0.00 3.18 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 36 D 8.22 4.31 0.00 2.85 2.56 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 37 N 8.04 4.20 0.00 2.54 2.83 0.00 0.00 6.77 7.53 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 38 V 7.98 3.60 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 0.84 0.00 0.00 0.15 0.00 0.00 39 A 8.24 4.09 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 40 R 7.75 3.76 0.00 1.79 1.93 0.00 3.11 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 41 I 6.96 3.60 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.83 0.00 0.00 42 I 8.09 3.53 1.81 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.86 0.87 0.00 0.00 43 K 8.22 4.08 0.00 1.76 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 44 N 8.62 4.59 0.00 2.90 2.78 0.00 0.00 6.89 7.66 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 45 A 8.27 3.94 1.27 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 0.00 0.00 46 M 9.44 3.26 0.00 2.17 2.38 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 47 L 7.40 4.69 0.00 1.37 1.47 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.10 5.62 0.00 2.76 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 49 I 7.31 4.40 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.94 0.90 0.00 0.00 50 G 8.08 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.50 3.66 0.00 1.45 1.33 0.48 0.77 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 52 A 8.50 4.88 1.26 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 53 M 7.85 4.42 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.80 0.00 54 P 0.00 4.91 0.00 2.08 1.98 0.00 3.71 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 55 V 8.25 4.70 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 0.80 0.00 0.00 0.82 0.00 0.00 56 K 8.67 5.17 0.00 1.88 1.68 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.74 7.81 57 I 9.01 5.33 2.20 0.00 0.00 1.00 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 0.75 1.21 0.00 0.00 58 R 8.78 5.18 0.00 1.94 2.09 0.00 2.79 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 59 I 9.41 4.60 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 1.01 0.00 0.00 60 E 9.42 4.72 0.00 2.05 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 2.34 2.35 0.00 61 C 9.28 4.71 0.00 3.04 3.14 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 62 H 9.36 5.00 0.00 3.45 3.26 0.00 5.85 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 M 8.32 3.70 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.74 0.00 64 P 0.00 4.58 0.00 1.77 1.48 0.00 2.72 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.44 0.00 65 D 7.04 4.26 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 4.49 0.00 1.84 1.83 0.00 3.27 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 67 R 8.45 4.10 0.00 1.88 1.92 0.00 3.16 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 68 R 8.47 4.10 0.00 1.83 1.73 0.00 3.30 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 1.55 1.20 0.00 69 R 7.92 4.64 0.00 1.92 1.95 0.00 3.47 0.00 0.00 3.46 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 70 N 8.46 4.57 0.00 2.81 2.87 0.00 0.00 7.04 6.74 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 71 L 8.66 4.12 0.00 1.69 1.72 0.94 1.07 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 72 D 8.23 4.32 0.00 2.82 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 73 N 7.77 4.26 0.00 2.93 2.79 0.00 0.00 6.90 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.93 3.69 0.00 1.64 1.41 0.96 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.80 3.69 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 1.41 2.01 0.00 76 K 8.07 3.64 0.00 1.94 1.72 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.37 7.81 77 A 7.44 3.66 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 4.03 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 79 F 8.66 4.45 0.00 3.33 3.29 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 80 D 8.43 4.50 0.00 3.09 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 81 A 8.12 4.28 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 82 L 7.87 3.71 0.00 1.38 0.32 0.64 0.34 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 83 T 8.06 4.10 4.43 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 1.53 0.00 0.00 84 K 7.84 4.19 0.00 1.78 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.86 1.67 7.81 85 A 8.43 4.20 1.20 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 0.00 0.00 86 G 7.64 3.78 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 0.00 0.00 0.00 87 F 8.42 4.75 0.00 2.62 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 88 W 6.64 5.12 0.00 3.36 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 89 L 8.56 4.06 0.00 1.85 1.55 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.53 4.55 0.00 2.63 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.30 3.37 0.00 1.95 2.37 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 0.00 92 A 8.21 4.01 1.22 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 93 Q 7.43 3.81 0.00 1.69 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.11 2.49 0.00 94 V 6.65 3.96 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 0.83 0.00 0.00 -0.23 0.00 0.00 95 V 8.01 3.87 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 0.72 0.00 0.00 1.00 0.00 0.00 96 D 7.66 4.59 0.00 2.71 2.54 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 97 Y 8.57 5.53 0.00 3.21 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 98 R 8.90 4.39 0.00 1.81 1.78 0.00 3.05 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 99 V 8.47 4.78 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 0.90 0.00 0.00 1.05 0.00 0.00 100 V 8.81 4.57 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 0.94 0.00 0.00 101 K 8.73 4.78 0.00 1.58 1.59 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.66 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.04 7.81 102 M 9.10 4.86 0.00 1.72 1.70 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 103 P 0.00 4.64 0.00 2.08 2.05 0.00 3.89 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 2.01 1.98 0.00 104 V 8.29 4.39 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 0.79 0.00 0.00 0.93 0.00 0.00 105 T 8.22 4.60 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 1.17 0.00 0.00 106 K 8.76 3.86 0.00 1.71 1.70 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 107 G 8.59 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.05 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 0.00 0.00 0.00 109 R 8.60 5.13 0.00 1.82 1.89 0.00 3.09 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 110 L 9.38 5.41 0.00 1.63 1.63 0.79 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.37 5.02 0.00 1.98 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 2.42 2.54 0.00 112 L 8.54 5.31 0.00 1.79 1.67 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.82 4.78 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 1.29 0.00 0.00 114 I 9.13 5.06 2.26 0.00 0.00 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 1.48 1.33 0.99 0.00 0.00 115 T 9.00 5.07 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 116 E 8.55 4.42 0.00 1.79 1.76 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 2.27 2.19 0.00 117 M 8.31 4.34 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.