NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1617 8.2649 123.5821 51.8634 20.7588 177.1469 *2 I 4.0747 7.5316 115.4947 61.6017 38.0458 175.4296 3 V 4.3608 8.4316 117.4485 61.0954 33.1106 175.9649 4 G 4.6832 7.4746 105.3273 46.1038 0.0000 172.2816 5 L 5.2618 8.5778 124.0521 53.0730 45.2924 175.7040 6 G 4.3147 9.1782 112.1491 45.0131 0.0000 171.1669 7 T 5.2544 8.2838 115.4662 60.6841 71.0331 172.2347 8 D 4.8022 8.8803 124.4937 53.0759 45.2497 173.6367 9 I 5.1030 8.4624 123.8195 59.1585 41.0358 174.1542 10 A 4.9110 9.5115 130.0982 50.0386 22.1662 174.7882 11 E 4.4849 8.8334 122.7958 55.3565 30.4081 177.2447 12 I 3.7153 8.6552 128.8922 64.5047 37.0827 178.0364 13 E 4.0467 8.0658 119.6007 59.3668 29.3864 178.9769 14 R 3.8361 7.6529 117.5530 59.0584 30.0951 179.1642 15 V 3.5634 7.6326 117.6060 65.9663 31.6418 177.7535 16 E 4.0246 8.3844 118.4606 59.4193 29.3938 179.5027 17 K 3.9305 8.3637 118.5885 59.3955 32.0479 179.2694 18 A 3.7660 7.8060 121.0203 55.0300 18.1391 179.7385 19 L 4.1638 8.1221 117.3580 57.8706 41.4907 179.5603 20 A 4.0802 8.0289 119.9322 54.5766 18.2841 179.5485 21 R 4.1578 7.5132 115.4580 58.6108 30.8500 178.3172 22 S 4.7175 8.4770 112.4165 56.1822 64.7842 176.1630 23 G 4.0161 8.7357 111.5310 45.9044 0.0000 175.7755 24 E 4.0445 9.1177 123.1994 59.3304 28.7874 177.9563 25 N 4.3675 7.8138 115.5733 56.3222 38.8149 176.9794 26 F 4.4679 8.2135 121.0521 61.3595 39.6575 176.8051 27 A 3.3815 8.0350 120.4320 55.2676 17.8692 179.7815 28 R 3.8484 8.1558 115.1937 58.7006 30.1896 178.8282 29 R 4.0152 7.5634 117.9608 58.6904 30.0734 177.6881 30 I 3.6134 7.1282 117.9967 61.3087 38.2231 175.7629 31 L 4.8511 7.1683 118.4404 52.9019 43.8141 176.4973 32 T 4.1807 8.7642 112.4534 60.8595 70.0258 175.3230 33 D 4.3758 8.7573 121.8861 58.0524 40.6606 179.4633 34 S 4.1541 7.6719 112.8231 61.2273 62.3657 175.9110 35 E 4.1271 8.2224 120.7463 58.8648 29.1450 179.1045 36 L 4.0109 7.6324 119.6486 57.3045 41.4247 178.8126 37 E 3.9250 7.7504 119.0016 59.6313 29.3537 179.0901 38 Q 4.0085 7.9983 115.9599 58.6773 29.1689 177.9334 39 F 2.8087 7.9355 121.6379 61.3616 39.2078 176.9323 40 H 3.9404 8.4281 114.2446 58.6732 28.5273 177.2486 41 A 4.0566 7.4687 121.0425 53.1560 18.7228 177.9412 42 S 4.1004 6.8728 112.0436 58.5236 62.8765 173.9203 43 K 4.4354 8.4850 124.2482 56.2019 33.0108 176.8551 44 Q 4.6131 8.0942 116.7128 54.2030 28.3179 176.1206 45 Q 4.0122 7.9091 120.4731 59.4232 29.1770 178.8028 46 G 3.7131 8.1004 106.5141 47.9080 0.0000 175.9125 47 R 3.9897 8.0117 120.2471 58.7503 30.2960 178.5164 48 F 4.0384 8.5986 120.7740 61.5281 39.4265 177.0623 49 L 4.1672 8.8504 119.9582 57.9647 41.8974 178.5089 50 A 4.0956 8.5121 121.2713 55.2813 18.3165 179.7997 51 K 3.9785 8.0481 116.5975 59.6977 32.0597 179.9007 52 R 3.8991 7.8610 117.9194 58.9308 29.9116 178.7329 53 F 3.9226 8.7788 120.7062 61.3332 39.3285 177.0070 54 A 4.5679 8.6143 121.3503 54.6563 18.1000 179.4529 55 A 3.8565 8.0227 119.1954 55.3044 18.4205 180.1059 56 K 3.3656 8.1203 117.0987 59.2975 32.0775 179.5307 57 E 3.6116 8.0977 118.7483 59.1712 29.3625 179.2303 58 A 3.8730 8.1318 120.8554 55.0372 18.5423 179.5092 59 A 3.8311 7.9152 119.7772 55.2626 18.2632 180.0543 60 S 4.1777 7.6248 112.7870 61.4719 62.9594 176.9404 61 K 3.9595 8.0016 121.9944 59.0942 31.8026 179.1776 62 A 4.1871 7.9754 121.0616 54.9400 18.0295 179.3911 63 L 4.1733 7.7318 116.2641 55.9772 41.8188 178.3305 64 G 3.9956 8.0863 106.8353 45.3227 0.0000 173.8066 65 T 4.2542 7.6156 109.1130 60.3084 70.8973 175.6156 66 G 3.9418 7.8235 110.3065 45.4744 0.0000 173.6739 67 I 3.8148 7.8232 117.9973 59.2986 35.5983 174.6609 68 A 4.1784 8.3953 127.1370 52.3794 22.7815 176.1131 69 Q 3.5177 9.9810 114.7317 57.0946 26.2081 175.6946 70 G 3.9097 8.4927 105.9775 45.1585 0.0000 174.4442 71 V 4.0058 7.8450 121.4786 62.2593 32.2253 175.0135 72 T 4.8577 8.6909 116.4700 59.1945 72.0107 174.8073 73 F 4.2295 8.6263 120.0892 61.2050 38.9297 177.2952 74 H 4.6549 7.7500 114.2135 57.5923 28.6977 175.7972 75 D 4.4774 8.1099 118.9122 54.2253 41.0270 175.4584 76 F 5.3571 7.7757 117.9273 55.7863 41.6921 174.9323 77 T 4.8226 8.9670 119.5892 61.8764 71.6259 172.8748 78 I 4.7244 9.1872 128.1887 60.2183 38.7613 175.0140 79 S 4.8939 9.0889 121.2457 56.9306 66.3993 171.7198 80 H 5.5004 8.5473 115.9876 54.1220 32.8747 173.6600 81 D 4.7581 8.8572 121.6448 51.8538 40.8928 177.3982 82 K 4.0701 8.4721 117.4528 59.2220 32.5496 177.6238 83 L 4.2707 7.9510 118.2544 54.7764 41.9167 177.4034 84 G 4.0036 8.1890 107.5000 44.4119 0.0000 173.9813 85 K 4.2056 8.1120 122.4199 55.8857 33.1451 174.2466 86 P 4.7905 0.0000 0.0000 62.7097 32.5856 175.4461 87 L 4.8843 9.0660 121.0971 52.8507 45.8769 175.0837 88 L 5.1712 8.5459 123.5608 53.3687 44.4951 175.3398 89 I 4.6063 8.8215 126.9910 59.5264 40.1168 174.5995 90 L 5.0906 8.5429 126.4198 53.4801 43.6806 175.5584 91 S 4.4081 8.6315 116.3428 56.6328 67.2890 174.6192 92 G 3.8313 8.7578 108.0670 46.4919 0.0000 175.9319 93 Q 3.8914 8.5577 119.2765 58.8627 28.9056 178.0110 94 A 3.8332 7.9182 121.2452 55.1559 18.3972 179.3065 95 A 3.8692 7.6171 118.8915 55.2410 18.3735 179.7203 96 E 3.9000 8.0430 116.8887 59.5712 29.5524 179.6425 97 L 3.9571 8.1522 118.9316 57.7165 41.6185 179.3745 98 A 4.0119 8.2395 120.9405 55.0570 18.1411 179.7484 99 S 3.9813 8.0964 111.7570 61.6102 62.3139 175.9272 100 Q 3.9488 7.9565 121.0391 59.1923 28.8210 177.7731 101 L 4.2560 7.8300 116.7178 54.1409 42.0831 176.5799 102 Q 3.4948 8.1992 117.2814 56.4585 26.8699 174.1675 103 V 3.8770 8.0375 117.5359 63.4033 31.9838 175.1435 104 E 4.7460 9.1155 125.0929 56.1819 32.3386 176.0020 105 N 5.0401 8.0386 116.0071 51.3674 43.1123 173.3395 106 I 4.8825 8.3180 123.0804 59.7520 40.1842 174.4920 107 H 5.0153 9.2225 123.9089 53.8275 31.9133 172.6527 108 L 5.1961 8.5313 123.7483 53.3763 45.1887 175.2594 109 S 4.8445 9.0901 119.6412 56.5959 66.0459 172.5420 110 I 5.0638 8.3073 125.0266 59.7871 40.2757 174.6697 111 S 4.7022 8.4599 118.1604 57.0512 65.5720 172.3232 112 D 4.9674 8.2602 122.8363 52.0548 42.2083 174.4025 113 E 4.7104 8.5758 117.5819 54.8922 32.4287 174.4539 114 R 3.9488 7.6031 119.8109 59.9810 30.0390 177.8082 115 H 4.6349 8.5792 111.9887 55.5460 30.9166 173.2454 116 Y 5.3631 7.9309 115.9013 56.0493 42.1845 174.3598 117 A 5.5951 9.2756 123.4251 49.1022 23.1748 174.7852 *119 A 4.5647 8.2332 118.8028 52.5100 20.4856 176.0295 120 T 5.1465 8.5952 115.1308 61.7771 73.1128 173.3710 121 V 4.9421 9.0374 124.5557 61.1743 35.1541 174.1188 122 I 4.9748 8.8574 127.8286 59.5263 40.4654 174.2702 123 L 5.2443 8.8817 126.8578 53.0482 44.0646 175.4110 124 E 5.1416 9.1700 120.5064 54.5603 33.3375 174.6179 125 R 4.9827 8.4680 116.8712 54.2419 32.8224 176.0312 126 R 4.1292 8.3575 117.1652 56.5964 30.2383 176.7863 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 0 A 8.26 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 7.53 4.07 1.87 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 1.42 0.59 0.94 0.00 0.00 3 V 8.43 4.36 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 0.68 0.00 0.00 0.99 0.00 0.00 4 G 7.47 4.68 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 0.00 0.00 0.00 5 L 8.58 5.26 0.00 1.58 1.48 0.96 0.93 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 6 G 9.18 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 0.00 0.00 0.00 0.00 7 T 8.28 5.25 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 1.20 0.00 0.00 8 D 8.88 4.80 0.00 2.79 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 9 I 8.46 5.10 1.87 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 1.38 1.29 0.92 0.00 0.00 10 A 9.51 4.91 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 11 E 8.83 4.48 0.00 2.16 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 2.25 2.04 0.00 12 I 8.66 3.72 1.78 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 1.42 0.39 0.91 0.00 0.00 13 E 8.07 4.05 0.00 1.98 1.88 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 2.34 2.38 0.00 14 R 7.65 3.84 0.00 2.00 1.86 0.00 3.25 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 15 V 7.63 3.56 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 1.29 0.00 0.00 0.90 0.00 0.00 16 E 8.38 4.02 0.00 2.19 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 2.36 2.52 0.00 17 K 8.36 3.93 0.00 1.83 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.59 7.81 18 A 7.81 3.77 0.58 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 0.00 0.00 19 L 8.12 4.16 0.00 1.98 1.86 1.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.03 4.08 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 21 R 7.51 4.16 0.00 1.87 1.95 0.00 3.03 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 22 S 8.48 4.72 0.00 3.90 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 23 G 8.74 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 24 E 9.12 4.04 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 25 N 7.81 4.37 0.00 2.91 2.96 0.00 0.00 7.00 8.35 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 26 F 8.21 4.47 0.00 3.01 3.22 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 27 A 8.04 3.38 0.91 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 0.00 0.00 28 R 8.16 3.85 0.00 1.88 2.02 0.00 3.20 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 29 R 7.56 4.02 0.00 1.79 2.07 0.00 3.36 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 30 I 7.13 3.61 1.41 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.39 0.61 0.00 0.00 31 L 7.17 4.85 0.00 1.44 1.51 0.36 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.76 4.18 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 1.30 0.00 0.00 33 D 8.76 4.38 0.00 2.68 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 34 S 7.67 4.15 0.00 3.73 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 35 E 8.22 4.13 0.00 2.27 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 0.00 2.41 2.40 0.00 36 L 7.63 4.01 0.00 1.80 1.57 0.91 0.63 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 37 E 7.75 3.92 0.00 2.19 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 2.33 2.38 0.00 38 Q 8.00 4.01 0.00 2.41 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 39 F 7.94 2.81 0.00 2.73 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 40 H 8.43 3.94 0.00 3.11 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.47 4.06 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 42 S 6.87 4.10 0.00 3.60 3.48 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 43 K 8.48 4.44 0.00 1.73 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.34 7.81 44 Q 8.09 4.61 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 45 Q 7.91 4.01 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 1.44 2.12 0.00 46 G 8.10 3.71 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 0.00 0.00 0.00 47 R 8.01 3.99 0.00 2.08 2.04 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.60 4.04 0.00 3.33 3.37 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 49 L 8.85 4.17 0.00 2.11 1.87 0.65 0.84 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 50 A 8.51 4.10 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 51 K 8.05 3.98 0.00 1.92 1.80 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 52 R 7.86 3.90 0.00 1.97 1.97 0.00 3.26 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 53 F 8.78 3.92 0.00 3.15 3.25 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 54 A 8.61 4.57 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 55 A 8.02 3.86 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 56 K 8.12 3.37 0.00 1.85 1.73 0.00 1.90 0.00 0.00 2.16 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.71 7.81 57 E 8.10 3.61 0.00 1.96 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 1.98 1.76 0.00 58 A 8.13 3.87 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 59 A 7.92 3.83 0.87 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 60 S 7.62 4.18 0.00 4.10 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.00 3.96 0.00 1.93 1.86 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.53 7.81 62 A 7.98 4.19 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 63 L 7.73 4.17 0.00 1.91 1.77 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.09 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 0.00 0.00 0.00 65 T 7.62 4.25 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 1.20 0.00 0.00 66 G 7.82 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 0.00 0.00 0.00 67 I 7.82 3.81 1.67 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.05 0.62 0.00 0.00 68 A 8.40 4.18 1.15 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 0.00 0.00 69 Q 9.98 3.52 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 70 G 8.49 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 0.00 0.00 0.00 71 V 7.85 4.01 2.33 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 1.03 0.00 0.00 0.90 0.00 0.00 72 T 8.69 4.86 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 1.24 0.00 0.00 73 F 8.63 4.23 0.00 3.29 3.33 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 74 H 7.75 4.65 0.00 3.21 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.11 4.48 0.00 2.01 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 0.00 0.00 0.00 0.00 76 F 7.78 5.36 0.00 2.94 2.93 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 77 T 8.97 4.82 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 1.24 0.00 0.00 78 I 9.19 4.72 1.85 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 1.07 0.39 0.80 0.00 0.00 79 S 9.09 4.89 0.00 3.82 3.68 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 80 H 8.55 5.50 0.00 3.03 3.14 0.00 5.75 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.86 4.76 0.00 2.91 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 82 K 8.47 4.07 0.00 1.90 2.00 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 7.95 4.27 0.00 1.80 1.75 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.19 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 0.00 0.00 0.00 85 K 8.11 4.21 0.00 1.87 2.02 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.46 7.81 86 P 0.00 4.79 0.00 2.05 1.98 0.00 3.77 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 2.16 1.99 0.00 87 L 9.07 4.88 0.00 1.50 1.53 0.95 0.53 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 88 L 8.55 5.17 0.00 1.59 1.53 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.82 4.61 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 1.23 0.57 0.90 0.00 0.00 90 L 8.54 5.09 0.00 1.46 1.44 0.94 0.97 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 91 S 8.63 4.41 0.00 3.73 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 92 G 8.76 3.83 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 0.00 0.00 0.00 93 Q 8.56 3.89 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 94 A 7.92 3.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.62 3.87 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 96 E 8.04 3.90 0.00 2.17 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 2.30 2.32 0.00 97 L 8.15 3.96 0.00 1.79 1.70 0.90 0.68 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 98 A 8.24 4.01 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 99 S 8.10 3.98 0.00 3.96 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 0.00 100 Q 7.96 3.95 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 101 L 7.83 4.26 0.00 1.86 1.69 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.20 3.49 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 103 V 8.04 3.88 2.15 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 0.78 0.00 0.00 0.96 0.00 0.00 104 E 9.12 4.75 0.00 1.82 1.92 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 2.40 2.51 0.00 105 N 8.04 5.04 0.00 2.75 2.54 0.00 0.00 6.94 7.41 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 0.00 106 I 8.32 4.88 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.59 0.91 0.00 0.00 107 H 9.22 5.02 0.00 3.09 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.53 5.20 0.00 1.56 1.47 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.09 4.84 0.00 3.90 3.62 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 0.00 0.00 0.00 0.00 110 I 8.31 5.06 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.90 0.00 0.00 111 S 8.46 4.70 0.00 3.80 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 0.00 112 D 8.26 4.97 0.00 2.89 2.60 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 0.00 113 E 8.58 4.71 0.00 2.05 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 2.28 2.37 0.00 114 R 7.60 3.95 0.00 1.77 1.90 0.00 3.15 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.48 0.00 115 H 8.58 4.63 0.00 2.92 2.62 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.93 5.36 0.00 3.01 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 0.00 117 A 9.28 5.60 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 *119 A 8.23 4.56 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 0.00 120 T 8.60 5.15 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 1.25 0.00 0.00 121 V 9.04 4.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.89 0.00 0.00 122 I 8.86 4.97 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.93 0.00 0.00 123 L 8.88 5.24 0.00 1.58 1.56 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 124 E 9.17 5.14 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 125 R 8.47 4.98 0.00 1.88 2.01 0.00 3.03 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 126 R 8.36 4.13 0.00 1.96 1.88 0.00 3.47 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.