NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1484 8.2649 123.5682 50.9289 18.7154 175.8134 3 P 4.0397 0.0000 0.0000 61.4714 32.3805 170.4591 4 V 4.7101 9.0575 121.9400 61.2011 34.8211 174.4029 5 L 5.1317 9.8112 127.7134 53.0451 45.3652 175.3815 6 E 4.4209 8.6774 120.3021 54.1077 33.4793 175.7723 7 N 3.9716 7.8612 119.5092 52.7931 37.3099 175.6385 8 R 3.8181 8.2120 124.3338 58.3587 30.2173 177.8536 9 R 4.3340 7.7472 115.2029 55.9830 30.2244 176.6845 10 A 3.9555 7.5777 118.6540 53.6286 18.8748 177.8207 11 R 4.4383 7.6693 114.4927 58.1556 32.0243 177.2109 12 H 4.1416 8.1093 113.3038 58.5935 28.3792 175.6902 13 D 5.0465 8.0105 114.6564 53.0456 39.6491 175.0025 14 Y 4.7372 8.2251 116.5400 56.5598 41.8923 174.3706 15 E 4.5937 8.5911 122.9002 54.7294 31.5470 175.2454 16 I 4.1978 8.3826 127.6701 62.2181 38.5330 174.9362 17 L 4.4619 9.2234 121.9417 54.3232 43.8559 177.5315 18 E 4.7414 8.8875 122.7641 55.3086 33.4400 174.5648 19 T 5.1837 7.9456 111.2455 60.1273 72.0632 172.5424 20 Y 4.7684 9.2743 119.4816 56.3542 42.7397 174.5313 21 E 4.8084 9.1368 120.6751 54.9972 31.1720 175.2179 22 A 4.7583 8.8750 128.1735 49.7261 21.4346 176.0027 23 G 3.9808 8.2959 109.5382 46.1181 0.0000 172.5250 24 I 5.0139 7.8699 114.5234 58.6379 40.8867 175.0954 25 A 4.2726 8.3297 126.9441 51.1742 18.5369 176.8164 26 L 4.5561 8.2200 120.4860 53.7950 44.7435 176.2324 27 K 4.5438 8.0726 118.6623 54.5846 33.7407 178.2157 28 G 3.9705 8.6803 109.3937 47.7816 0.0000 175.6180 29 T 4.2073 7.9135 117.6511 66.0452 68.7312 176.7350 30 E 3.8709 8.0932 118.8385 60.1993 29.7645 178.6317 31 V 3.3516 8.0428 115.1258 66.9382 31.4176 177.4569 32 K 3.5324 7.9461 117.3712 59.8024 32.0626 179.4574 33 S 4.0083 7.6610 113.8928 61.2029 62.7054 176.6436 34 L 4.0666 8.6594 123.8374 57.6820 41.2400 179.3599 35 R 3.7585 7.6680 116.0749 58.1166 29.9976 177.9054 36 A 4.3688 7.8024 118.5869 50.8711 20.4610 176.4822 37 G 3.8385 7.7244 105.1605 46.9264 0.0000 174.1703 38 K 4.5330 7.7368 113.5730 56.1728 33.2351 179.0614 39 V 4.2760 7.5871 113.4388 60.2221 32.7277 175.0604 40 D 4.9393 8.4224 121.3873 52.5473 43.4613 176.4312 41 F 4.0237 9.4719 124.9636 59.2833 39.2498 175.6816 42 T 3.6799 7.4145 116.1670 65.2031 69.0138 173.8975 43 G 3.8953 8.8548 115.2081 46.8506 0.0000 172.2031 44 S 5.4669 7.8054 112.8587 56.2323 67.2584 174.8477 45 F 5.1116 7.5745 114.3770 56.1309 41.1724 172.5724 46 A 5.5911 9.1313 121.8851 49.5959 20.6305 175.9832 47 R 4.9037 8.5245 120.4894 54.7653 34.5473 175.8406 48 F 4.7040 9.2087 120.8508 58.5022 40.3768 173.7743 49 E 4.3207 9.5764 119.0186 56.2084 30.6176 175.0650 50 D 4.7867 9.8896 120.0563 53.5068 42.9328 176.9302 51 G 5.0997 7.9028 118.3648 47.8032 0.0000 172.9717 52 E 4.1618 7.8041 120.6633 56.1789 30.7815 175.8973 53 L 4.5571 8.0959 125.5408 54.0490 44.4392 174.5563 54 Y 5.0609 8.9498 121.6396 56.4604 43.5632 173.6978 55 L 4.7995 8.3641 122.1251 53.7605 42.9315 176.5954 56 E 4.1630 8.2328 126.9983 58.1388 30.4684 177.2018 57 N 4.5799 6.5349 117.7575 52.0396 42.2018 172.7381 58 L 4.6346 7.8272 125.2882 54.8201 44.7820 171.7194 59 Y 5.0482 7.5277 127.6745 57.1131 39.6561 175.2575 60 I 4.5132 7.6151 127.4854 58.7674 38.4139 174.3949 61 A 3.6727 6.9899 124.2270 51.4973 19.0968 176.3942 62 P 4.4663 0.0000 0.0000 62.2968 32.2464 176.1084 63 Y 4.3064 8.8705 121.7874 60.9621 38.6852 176.1574 *68 Y 4.6090 7.5020 117.7877 57.2814 39.6419 174.5315 69 A 4.3341 7.8920 128.8258 51.6332 18.5641 175.8909 70 N 4.4542 7.8374 123.6373 54.2187 41.4050 172.2169 71 V 4.5590 7.9462 109.6034 59.4068 34.3881 174.1999 72 D 4.5635 8.3706 119.9999 54.0169 41.3020 176.2243 73 P 4.2404 0.0000 0.0000 64.5071 32.0059 176.8087 74 R 5.4616 7.0448 115.8993 54.5606 30.5051 176.0531 75 R 4.3071 7.6208 115.9993 55.2594 31.5558 176.9148 76 K 5.0717 8.2197 119.9085 56.4081 33.9935 176.3748 77 R 4.6922 8.3716 121.3935 54.0457 34.0434 174.9903 78 K 3.6352 8.5795 122.8164 56.1903 33.4806 175.6358 79 L 4.9392 7.9861 124.0879 52.8782 43.9270 176.2688 80 L 4.2808 8.7913 124.0751 54.1769 43.3505 175.9979 81 L 4.2033 8.1727 117.3779 54.2903 45.3282 173.9187 82 H 4.0546 8.7014 120.8704 55.7529 29.7306 175.9759 83 K 3.8928 8.9661 121.5958 60.2182 32.4297 179.2153 84 H 4.2140 8.3764 114.3472 58.6949 28.7152 176.9964 85 E 3.8065 7.5376 121.2646 59.2587 29.2566 179.4816 86 L 4.1186 7.5767 118.5727 57.7368 41.6555 179.4222 87 R 4.0982 8.1630 116.2316 57.9192 29.9805 177.8904 88 R 4.3775 8.0824 118.5641 57.3139 31.3188 176.9211 89 L 4.5042 7.5711 117.4022 55.3291 40.6224 177.9104 90 L 3.3379 7.6390 121.6031 58.3368 40.1367 178.0548 91 G 4.0659 7.7285 106.9745 45.2980 0.0000 174.4398 92 K 4.3021 8.0003 119.7548 57.8822 33.2792 179.4519 93 V 4.4969 7.7520 115.1571 64.4033 31.4374 175.8464 94 E 4.5308 7.8073 116.2666 56.7780 31.0152 176.4251 95 Q 4.2244 8.0891 120.4044 57.6098 27.6389 177.9411 96 K 3.7231 8.2132 112.5744 55.5009 31.5639 172.5273 97 G 3.4565 8.4312 117.6736 46.2958 0.0000 172.0011 98 L 4.3837 7.8052 124.5547 55.0867 42.9614 176.5881 99 T 4.7623 8.5604 122.4248 62.5176 71.5696 173.5588 100 L 4.8920 8.5201 125.2224 53.2288 42.7194 173.4926 101 V 4.6107 8.3462 122.1691 58.9919 33.8966 173.8438 102 P 5.2013 0.0000 0.0000 62.5387 30.6615 176.0855 103 L 4.2088 8.7759 126.5938 55.1892 42.8836 177.4464 104 K 4.8332 7.1717 121.2853 56.7968 34.2412 173.6041 105 I 5.0121 9.9775 114.1427 59.7604 41.4987 173.5631 106 Y 5.0548 7.7321 119.9323 57.2980 41.9029 172.5075 107 F 5.0239 9.2851 118.4744 55.3618 40.6108 176.3271 108 N 4.7970 8.6870 124.5327 52.9694 36.9863 174.0924 109 E 4.2063 8.7430 114.2046 58.5615 30.2152 177.1021 110 R 4.3061 8.1596 117.6284 55.7424 30.1992 177.3255 111 G 4.1989 8.2238 109.5794 46.2242 0.0000 174.4281 112 Y 4.4134 7.6708 117.5660 57.2452 38.5356 174.8810 113 A 3.8268 8.1744 127.3832 51.7672 19.0826 176.8432 114 K 4.6819 8.9444 122.7727 54.3623 35.8254 176.1263 115 V 4.2893 8.3454 123.6611 60.2208 34.2886 174.3808 116 L 5.2872 8.6325 123.5003 53.5918 45.0554 175.0717 117 L 5.3544 8.5510 123.0353 53.6652 46.3720 175.3987 118 G 4.5194 8.7255 105.7377 44.8138 0.0000 172.5635 119 L 4.7167 8.8456 123.5756 55.1975 42.6213 176.6873 120 A 5.1211 9.1286 126.3397 50.9638 21.5505 176.7482 121 R 4.2439 8.5497 113.9338 55.9026 36.2224 178.3344 122 G 3.6142 6.9881 99.2773 44.8113 0.0000 175.0902 123 K 4.0550 8.8016 124.8594 56.7674 32.0452 175.9756 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 A 8.26 4.15 1.08 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 0.00 0.00 3 P 0.00 4.04 0.00 2.32 2.06 0.00 3.57 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 4 V 9.06 4.71 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 1.00 0.00 0.00 0.97 0.00 0.00 5 L 9.81 5.13 0.00 1.83 1.76 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.68 4.42 0.00 1.80 1.78 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 2.08 2.15 0.00 7 N 7.86 3.97 0.00 2.40 2.50 0.00 0.00 7.54 7.23 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 8 R 8.21 3.82 0.00 1.79 1.98 0.00 3.26 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 9 R 7.75 4.33 0.00 1.82 1.81 0.00 3.20 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 10 A 7.58 3.96 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 11 R 7.67 4.44 0.00 1.73 1.72 0.00 3.17 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 12 H 8.11 4.14 0.00 3.19 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.01 5.05 0.00 2.96 2.92 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 14 Y 8.23 4.74 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.59 4.59 0.00 2.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 16 I 8.38 4.20 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.01 0.95 0.00 0.00 17 L 9.22 4.46 0.00 1.57 1.44 0.93 0.74 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 18 E 8.89 4.74 0.00 2.05 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 0.00 1.99 2.19 0.00 19 T 7.95 5.18 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 1.19 0.00 0.00 20 Y 9.27 4.77 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 9.14 4.81 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 22 A 8.88 4.76 1.17 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 23 G 8.30 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.87 5.01 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.80 0.00 0.00 25 A 8.33 4.27 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 26 L 8.22 4.56 0.00 1.52 1.53 0.78 0.79 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 27 K 8.07 4.54 0.00 1.80 1.66 0.00 1.51 0.00 0.00 2.06 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 28 G 8.68 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.91 4.21 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 30 E 8.09 3.87 0.00 1.87 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 0.00 2.26 2.54 0.00 31 V 8.04 3.35 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.97 0.00 0.00 32 K 7.95 3.53 0.00 1.26 0.81 0.00 1.71 0.00 0.00 1.53 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.63 7.81 33 S 7.66 4.01 0.00 3.92 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.66 4.07 0.00 2.22 2.09 0.85 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.67 3.76 0.00 1.73 1.76 0.00 2.98 0.00 0.00 2.96 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.32 0.00 36 A 7.80 4.37 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 37 G 7.72 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 38 K 7.74 4.53 0.00 1.59 1.84 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.54 7.81 39 V 7.59 4.28 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 0.85 0.00 0.00 0.89 0.00 0.00 40 D 8.42 4.94 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.47 4.02 0.00 3.00 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 42 T 7.41 3.68 4.46 0.00 0.00 0.00 0.00 0.00 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 43 G 8.85 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 0.00 0.00 0.00 44 S 7.81 5.47 0.00 3.77 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 45 F 7.57 5.11 0.00 3.20 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 46 A 9.13 5.59 1.29 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 0.00 0.00 47 R 8.52 4.90 0.00 2.38 1.95 0.00 3.45 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.14 0.00 48 F 9.21 4.70 0.00 2.96 3.13 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 49 E 9.58 4.32 0.00 1.49 1.78 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 2.09 2.25 0.00 50 D 9.89 4.79 0.00 2.69 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 51 G 7.90 5.10 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 52 E 7.80 4.16 0.00 2.23 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 2.36 2.37 0.00 53 L 8.10 4.56 0.00 0.71 1.08 0.25 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.95 5.06 0.00 2.77 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 55 L 8.36 4.80 0.00 1.64 1.42 0.79 0.84 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 56 E 8.23 4.16 0.00 1.59 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 2.34 2.30 0.00 57 N 6.53 4.58 0.00 2.40 2.26 0.00 0.00 6.72 6.66 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 58 L 7.83 4.63 0.00 1.54 1.29 0.64 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.53 5.05 0.00 3.10 2.80 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 60 I 7.62 4.51 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.78 0.00 0.00 61 A 6.99 3.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.47 0.00 2.15 2.06 0.00 3.70 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 63 Y 8.87 4.31 0.00 3.06 3.13 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 *68 Y 7.50 4.61 0.00 2.84 2.92 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 69 A 7.89 4.33 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 N 7.84 4.45 0.00 2.48 2.59 0.00 0.00 7.00 7.71 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 71 V 7.95 4.56 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 0.77 0.00 0.00 0.90 0.00 0.00 72 D 8.37 4.56 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.55 1.78 0.00 3.62 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 2.31 2.11 0.00 74 R 7.04 5.46 0.00 1.87 1.89 0.00 3.24 0.00 0.00 3.10 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 75 R 7.62 4.31 0.00 1.76 1.83 0.00 3.44 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 76 K 8.22 5.07 0.00 1.78 1.78 0.00 0.94 0.00 0.00 2.26 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.39 7.81 77 R 8.37 4.69 0.00 1.69 1.71 0.00 3.23 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 78 K 8.58 3.64 0.00 1.46 1.30 0.00 1.48 0.00 0.00 1.97 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.89 1.36 7.81 79 L 7.99 4.94 0.00 1.38 1.37 0.79 0.74 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 80 L 8.79 4.28 0.00 1.46 1.43 0.77 0.51 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 81 L 8.17 4.20 0.00 1.33 1.41 0.72 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.70 4.05 0.00 3.18 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.97 3.89 0.00 1.86 1.90 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 84 H 8.38 4.21 0.00 3.37 3.57 0.00 5.49 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.54 3.81 0.00 1.95 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 2.12 2.22 0.00 86 L 7.58 4.12 0.00 1.78 1.92 1.05 0.89 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 87 R 8.16 4.10 0.00 2.01 1.99 0.00 3.30 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 88 R 8.08 4.38 0.00 1.82 1.97 0.00 3.31 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 89 L 7.57 4.50 0.00 1.98 1.83 1.07 0.29 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 90 L 7.64 3.34 0.00 1.45 1.83 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 91 G 7.73 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.00 4.30 0.00 1.93 1.88 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.54 7.81 93 V 7.75 4.50 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.24 0.00 0.00 94 E 7.81 4.53 0.00 1.91 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 2.18 2.13 0.00 95 Q 8.09 4.22 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.37 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 96 K 8.21 3.72 0.00 1.91 1.86 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.35 7.81 97 G 8.43 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.38 0.00 1.75 1.83 0.95 1.05 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 99 T 8.56 4.76 4.41 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 1.34 0.00 0.00 100 L 8.52 4.89 0.00 1.87 1.69 1.03 0.97 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 0.00 101 V 8.35 4.61 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 0.93 0.00 0.00 0.90 0.00 0.00 102 P 0.00 5.20 0.00 2.34 2.27 0.00 3.86 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 103 L 8.78 4.21 0.00 1.63 1.70 1.01 0.87 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 0.00 104 K 7.17 4.83 0.00 2.13 1.84 0.00 1.52 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 105 I 9.98 5.01 1.78 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 1.34 0.97 1.03 0.00 0.00 106 Y 7.73 5.05 0.00 3.12 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 0.00 107 F 9.29 5.02 0.00 2.99 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 0.00 108 N 8.69 4.80 0.00 2.98 3.10 0.00 0.00 7.07 7.04 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 0.00 109 E 8.74 4.21 0.00 2.11 2.14 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 2.31 2.36 0.00 110 R 8.16 4.31 0.00 1.91 2.08 0.00 3.34 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 111 G 8.22 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 7.67 4.41 0.00 3.09 2.65 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 0.00 113 A 8.17 3.83 -0.01 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 0.00 0.00 114 K 8.94 4.68 0.00 1.31 1.62 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.52 7.81 115 V 8.35 4.29 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 0.79 0.00 0.00 0.91 0.00 0.00 116 L 8.63 5.29 0.00 1.87 1.62 1.14 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.55 5.35 0.00 1.66 1.57 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.73 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.85 4.72 0.00 1.80 1.71 1.08 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 120 A 9.13 5.12 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 0.00 121 R 8.55 4.24 0.00 1.66 1.83 0.00 3.30 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 122 G 6.99 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.80 4.05 0.00 1.79 1.82 0.00 1.87 0.00 0.00 1.96 0.00 0.00 3.24 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.56 1.96 7.81 * Residues marked with a * may have inaccurate shift predictions.