NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7177 8.4449 117.7458 55.4805 30.0842 172.8644 1 M 4.1332 8.9796 122.1176 54.9204 32.5863 175.7339 2 R 4.0786 9.3142 123.6741 57.2255 30.9516 176.9579 3 Q 4.3388 8.8161 122.8828 54.6769 27.7538 175.2767 4 T 4.7484 8.1348 119.1896 61.5135 71.6493 174.5594 5 G 4.0333 8.5432 110.3773 46.2211 0.0000 175.1977 6 S 4.3572 8.1168 115.9984 59.0921 63.8539 173.7974 7 F 4.2599 7.8355 124.2933 57.2728 39.4489 174.3179 8 Q 4.3732 8.0434 129.7303 54.1571 29.2916 173.3055 9 P 4.9126 0.0000 0.0000 62.3928 33.1877 175.2313 10 F 5.0423 7.7084 115.5175 56.0927 41.6885 172.1219 11 F 5.3414 9.3841 121.2997 56.3506 42.4513 173.6580 12 L 4.9439 7.8804 126.1818 53.3979 45.7411 174.6185 13 R 4.9210 8.7621 126.5718 54.6598 33.2389 174.2808 14 G 4.4163 8.5904 111.1475 45.5526 0.0000 172.5768 15 K 4.9001 8.2790 119.5626 55.8183 33.9912 176.6616 16 V 4.3649 8.8741 124.4278 62.9583 32.5688 175.4792 17 V 4.9318 9.0507 120.6233 59.6671 36.1581 174.6954 18 H 4.8247 8.6731 118.9143 55.3740 29.8961 175.2040 *25 S 4.2346 8.3167 113.2389 58.6509 62.8985 173.5478 26 Q 4.3384 8.5897 124.4725 56.6400 29.0692 176.9941 27 L 3.7987 7.3830 117.5504 55.7144 42.2128 176.7605 28 G 3.5638 7.9124 104.6055 45.9454 0.0000 173.1654 29 F 4.3642 7.6159 115.9334 56.1747 40.2010 174.2896 30 P 4.5680 0.0000 0.0000 63.4804 31.5258 176.3483 31 T 4.6966 8.4308 111.0641 61.2744 69.3762 173.2865 32 A 4.7162 8.2234 123.5140 52.7458 19.5385 177.3809 33 N 5.2996 9.2392 118.5632 51.4615 43.4731 173.3215 34 I 4.7043 8.2134 121.7223 59.8870 38.4445 176.2565 35 G 3.7306 9.0772 115.9172 46.4948 0.0000 173.1520 36 L 4.8178 8.5665 125.4893 53.0573 44.5218 174.8452 37 D 4.9640 7.9344 118.5648 50.7999 43.6175 176.0076 38 K 3.8175 8.5045 118.7900 59.8011 32.0824 177.9792 39 D 4.2407 8.0005 117.6817 57.4136 41.4279 178.2625 40 V 3.4729 8.2926 118.9158 66.0089 31.2553 177.7848 41 M 3.9945 7.9519 118.0272 58.2828 31.8880 178.0409 42 E 3.9553 7.6977 119.3123 59.4376 29.6107 178.6004 43 C 3.6122 7.2785 115.1297 62.4066 28.2174 175.5294 44 L 4.2179 7.4169 118.5258 55.8725 41.3584 178.7715 45 Q 3.9408 7.5697 119.0821 58.7175 28.7469 177.1769 46 P 4.2458 0.0000 0.0000 64.0639 31.2266 176.2047 47 Y 4.7666 7.8181 115.5551 57.2084 38.7308 176.0950 48 K 4.3433 7.6638 119.5718 57.9919 33.5227 176.1497 49 N 4.4520 9.5012 118.1618 54.4309 37.8795 173.3027 50 L 5.3299 7.7152 113.9073 52.4616 46.7166 175.3344 51 V 4.7950 8.9240 122.2493 61.7510 33.3008 175.3218 52 V 5.0508 9.3149 120.8745 59.7452 35.8054 173.6785 53 Y 4.4886 8.3541 118.7298 55.0182 41.7792 175.4914 54 G 4.0466 6.0931 104.3880 45.7391 0.0000 170.9522 55 W 5.6179 8.4219 120.0601 55.3531 32.2789 175.5523 56 G 4.9768 9.9224 109.9978 45.2518 0.0000 171.2088 57 T 5.1706 9.4614 109.7689 59.7837 73.0163 172.8451 58 V 4.9010 8.6501 121.8154 61.4731 34.7117 174.5537 59 S 4.8858 8.9670 121.8468 57.0794 67.8226 173.4514 60 Q 3.9115 7.9341 115.3154 55.9000 26.7788 174.7248 61 V 4.0406 7.5746 117.0427 61.5319 32.5244 173.0163 62 P 4.3141 0.0000 0.0000 64.7333 31.6896 174.2960 63 G 4.2793 9.3117 112.4098 45.3019 0.0000 174.6503 64 K 4.5813 7.6128 121.7319 56.1921 32.7143 178.9890 65 E 4.1642 8.2577 118.8825 59.2119 30.2276 182.1088 66 R 4.1327 7.8693 114.7058 59.0300 28.5101 181.1657 67 E 4.3207 7.8485 117.5942 56.0140 31.3267 175.4719 68 S 4.8751 7.8353 115.9316 56.5063 65.6684 172.7496 69 F 4.7393 9.7174 125.2816 57.1509 42.0544 175.0719 70 G 2.7930 8.1557 107.2807 42.5840 0.0000 170.7777 71 P 4.3634 0.0000 0.0000 62.9434 31.9890 175.5134 72 Y 5.3709 9.2163 120.2871 55.5051 41.6760 173.6085 73 P 4.6975 0.0000 0.0000 63.1006 32.9128 175.2807 74 F 5.3354 8.5578 115.8141 55.7717 41.5560 172.9030 75 A 5.1108 8.6910 121.3267 50.6199 22.6420 174.9619 76 A 4.6023 8.9984 118.9043 51.0972 23.3566 175.5730 77 S 5.1766 8.7193 117.3087 57.0404 65.5272 173.4140 78 I 4.8339 8.6351 125.8898 60.2134 39.3043 174.9068 79 G 4.3450 8.6945 115.9464 45.8486 0.0000 172.2080 *80 F 4.9214 8.7398 122.5329 58.3525 38.4884 173.8638 81 N 4.6691 8.6714 114.3226 54.3626 43.1761 176.5061 *88 T 4.1795 7.7589 110.9426 61.5498 70.4928 178.5273 89 L 4.2724 8.6761 128.7256 55.4685 42.5087 176.4276 90 T 4.7863 9.4784 122.7835 61.6575 72.5838 173.1393 91 V 4.6968 8.3037 123.5977 61.1817 34.6682 173.7009 92 E 4.9178 9.1893 129.3957 53.7862 31.3898 172.5439 93 P 4.6090 0.0000 0.0000 61.8887 33.5714 175.6362 94 Y 4.9112 9.0359 119.6217 55.8859 40.1577 174.0686 95 F 4.6694 9.0156 122.6724 56.9146 39.6200 176.6249 96 L 4.5285 8.5815 126.8267 53.2239 38.7546 176.3005 97 H 4.2544 7.6422 116.3092 55.0475 32.9504 172.8996 98 E 4.1908 7.5364 125.7504 54.6866 29.0303 175.8447 99 F 3.3126 8.1545 123.8416 58.2496 39.0924 177.5253 100 G 3.8022 9.4752 106.4700 44.5245 0.0000 172.2045 101 W 4.7385 6.5812 113.7260 55.7659 30.2783 173.5529 102 D 4.5684 8.7769 119.3418 53.7187 41.9810 176.2358 103 F 5.0401 6.7508 113.4666 56.2489 38.0187 174.7697 104 Y 4.2887 7.7028 118.0851 60.4606 38.3914 177.2515 105 G 3.9764 9.6129 113.4215 45.0178 0.0000 173.1380 106 A 4.7887 7.7534 121.5841 50.3980 20.7478 176.9643 107 V 4.4210 8.6392 121.3671 62.4644 33.0475 175.2124 108 V 5.0834 9.0502 128.0859 59.9148 34.1572 174.6847 109 K 5.2286 9.0320 123.2108 54.5657 35.2990 175.1672 110 I 5.2355 8.6156 117.8490 59.1911 41.4773 174.2008 111 I 4.6418 9.3859 125.7934 59.7638 39.3414 174.7995 112 V 4.0831 7.8123 128.4659 61.9148 31.7830 176.0231 113 L 4.1814 7.9348 128.3008 55.0150 43.3297 176.2662 114 G 2.7333 5.8223 104.4882 45.2051 0.0000 171.6108 115 E 5.0008 8.0360 117.4964 54.9136 31.5015 176.1201 116 I 4.1423 9.1389 124.3013 62.5820 38.2306 175.9218 117 R 4.5773 7.1763 113.8129 55.3333 31.3802 173.6943 118 S 5.3204 8.3105 112.2547 57.5101 63.8268 174.2657 119 M 4.1401 8.7799 121.5112 56.8619 32.5413 178.4994 120 G 3.5711 7.8251 107.3548 46.4512 0.0000 172.1227 121 S 4.3340 7.4549 113.2831 57.3894 65.3302 174.2417 122 F 4.8421 8.3926 119.7789 56.3304 41.8563 174.1046 123 H 4.7010 8.4996 118.0000 57.8017 29.7448 176.8143 124 S 4.5522 7.6503 113.4610 57.7900 65.6030 174.6999 125 L 3.7842 8.2835 123.3904 58.1062 41.9592 178.6050 126 Q 3.9978 8.0706 118.7402 58.4858 28.9983 177.8270 127 A 4.0135 7.6723 121.4258 54.9513 18.4163 179.2851 128 L 2.4400 7.0713 118.4784 57.7227 42.0377 179.3731 129 V 3.4610 7.4710 118.0310 66.1926 31.3932 177.7780 130 D 4.3496 8.1456 118.3466 57.3872 40.4437 178.8951 131 T 4.0559 7.5810 116.0699 66.2734 68.6470 177.1235 132 I 3.8195 7.8295 121.8844 64.2991 37.1104 178.4780 133 K 3.9511 8.1807 119.4143 59.7834 31.8612 179.5761 134 S 4.2197 7.9531 115.1679 61.4770 62.6111 176.5437 135 D 4.3822 8.3869 122.0487 57.3239 40.6634 178.8395 136 V 3.5432 8.2977 119.0536 66.1865 31.5194 177.9112 137 Q 3.9287 8.1244 119.2713 58.8329 28.8327 177.7042 138 F 3.9761 8.1524 121.7521 61.7207 39.5749 177.0096 139 T 3.0566 7.9213 115.4251 66.6781 67.6565 176.7551 140 R 3.7808 7.7091 119.5675 59.2315 29.8815 178.8342 141 D 4.2857 8.0442 118.1477 57.4633 41.0765 178.4757 142 M 3.9194 7.7562 119.6531 58.1567 31.6915 178.5067 143 L 4.2307 7.2099 116.4004 56.6716 41.8916 178.7934 144 Q 4.2646 7.5305 116.5833 56.7002 29.2437 176.6272 145 K 4.1255 7.5190 121.2019 55.6402 32.7443 175.8674 146 P 4.3247 0.0000 0.0000 65.9145 30.9768 178.4911 147 Q 4.0089 8.0279 116.5212 59.4726 29.4538 177.9757 148 L 4.6022 8.0525 119.3517 57.6249 41.9983 178.8367 149 Q 4.5193 8.9261 120.2042 59.3786 28.8025 178.1048 150 E 3.9520 8.0050 119.6722 58.7575 29.4094 178.1460 151 F 4.4070 8.1077 115.9316 58.9093 39.1087 177.0564 152 S 3.5722 7.1934 113.9500 60.4235 62.5412 174.8169 153 R 4.4655 7.1880 119.7531 56.0917 30.3916 175.8507 154 H 4.3659 8.2835 118.0109 55.6638 30.6915 176.2799 155 S 4.1606 8.2444 120.6856 61.1810 62.7935 176.6175 156 L 3.6778 7.8527 122.4610 57.4155 40.9169 179.1234 157 F 4.5567 7.4287 117.4534 60.4401 39.0075 176.6679 158 E 4.3912 7.7508 114.7580 55.6930 29.8460 176.6486 159 S 4.2133 7.1251 115.9567 57.1638 62.9697 172.0323 160 P 4.5136 0.0000 0.0000 62.1591 32.1822 175.5505 161 S 4.8321 7.8383 114.3499 58.3030 64.6844 177.2697 162 S 4.3146 8.7538 121.8698 59.5820 63.4408 174.1997 163 T 4.1144 7.4762 119.4285 63.4908 67.9341 173.8828 164 I 4.6959 8.0814 119.9207 58.0735 40.3074 173.4811 165 P 4.8975 0.0000 0.0000 63.0123 32.7778 174.6276 166 Y 4.9375 9.0869 120.2944 56.1061 42.3748 173.2425 167 F 5.2440 7.9886 127.5394 56.4456 42.6087 173.6503 168 E 4.5788 8.0985 125.0188 54.7728 33.2655 174.0159 169 D 4.9872 8.7681 126.3640 54.3256 41.9682 175.4188 170 L 4.8950 8.2636 121.9454 52.2256 44.0235 175.0499 171 P 4.4607 0.0000 0.0000 63.1066 31.5613 176.0341 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 H 8.44 4.72 0.00 2.63 2.42 0.00 5.87 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 1 M 8.98 4.13 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 2 R 9.31 4.08 0.00 1.59 1.72 0.00 3.26 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 0.00 3 Q 8.82 4.34 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 4 T 8.13 4.75 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 5 G 8.54 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 6 S 8.12 4.36 0.00 4.03 4.05 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 0.00 0.00 0.00 7 F 7.84 4.26 0.00 3.08 3.06 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 0.00 0.00 0.00 0.00 8 Q 8.04 4.37 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 9 P 0.00 4.91 0.00 2.05 1.93 0.00 4.00 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 10 F 7.71 5.04 0.00 2.39 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 11 F 9.38 5.34 0.00 2.84 2.91 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 12 L 7.88 4.94 0.00 1.95 1.37 1.07 1.14 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 13 R 8.76 4.92 0.00 1.85 1.88 0.00 3.31 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 14 G 8.59 4.42 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 0.00 15 K 8.28 4.90 0.00 1.79 1.80 0.00 1.72 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 1.59 1.49 7.81 16 V 8.87 4.36 2.28 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 0.57 0.00 0.00 1.21 0.00 0.00 17 V 9.05 4.93 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 0.76 0.00 0.00 1.04 0.00 0.00 18 H 8.67 4.82 0.00 2.93 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 S 8.32 4.23 0.00 4.03 4.05 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 0.00 0.00 0.00 26 Q 8.59 4.34 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 27 L 7.38 3.80 0.00 1.18 1.10 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.91 3.56 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 0.00 0.00 0.00 29 F 7.62 4.36 0.00 3.11 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 30 P 0.00 4.57 0.00 2.40 2.21 0.00 4.01 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 31 T 8.43 4.70 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 1.37 0.00 0.00 32 A 8.22 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.24 5.30 0.00 2.64 2.70 0.00 0.00 6.70 8.21 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 34 I 8.21 4.70 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.49 0.93 0.00 0.00 35 G 9.08 3.73 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 0.00 0.00 0.00 36 L 8.57 4.82 0.00 1.63 1.59 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.93 4.96 0.00 2.89 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 38 K 8.50 3.82 0.00 1.83 1.84 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 D 8.00 4.24 0.00 2.81 2.62 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 40 V 8.29 3.47 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 0.96 0.00 0.00 1.01 0.00 0.00 41 M 7.95 3.99 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 42 E 7.70 3.96 0.00 2.04 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 2.18 2.26 0.00 43 C 7.28 3.61 0.00 2.15 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 44 L 7.42 4.22 0.00 1.76 1.69 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.57 3.94 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.87 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 46 P 0.00 4.25 0.00 1.00 1.70 0.00 3.50 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 47 Y 7.82 4.77 0.00 3.06 3.12 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 48 K 7.66 4.34 0.00 1.88 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.37 7.81 49 N 9.50 4.45 0.00 2.95 2.99 0.00 0.00 7.03 6.35 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 50 L 7.72 5.33 0.00 1.86 1.63 1.28 0.87 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 51 V 8.92 4.79 2.18 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 0.95 0.00 0.00 1.06 0.00 0.00 52 V 9.31 5.05 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 0.95 0.00 0.00 1.08 0.00 0.00 53 Y 8.35 4.49 0.00 2.68 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 54 G 6.09 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.42 5.62 0.00 3.74 3.34 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 56 G 9.92 4.98 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 57 T 9.46 5.17 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 0.44 0.00 0.00 58 V 8.65 4.90 1.82 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 0.00 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 A 9.00 4.60 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 77 S 8.72 5.18 0.00 3.89 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 78 I 8.64 4.83 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 1.04 0.00 0.00 79 G 8.69 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 0.00 0.00 0.00 0.00 *80 F 8.74 4.92 0.00 2.08 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 0.00 0.00 0.00 81 N 8.67 4.67 0.00 2.71 2.67 0.00 0.00 6.82 7.59 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 *88 T 7.76 4.18 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 1.21 0.00 0.00 89 L 8.68 4.27 0.00 1.63 1.64 0.93 0.96 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 90 T 9.48 4.79 4.36 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 1.24 0.00 0.00 91 V 8.30 4.70 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 0.98 0.00 0.00 0.98 0.00 0.00 92 E 9.19 4.92 0.00 2.04 1.72 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 2.21 2.47 0.00 93 P 0.00 4.61 0.00 1.75 1.68 0.00 3.78 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 1.92 1.88 0.00 94 Y 9.04 4.91 0.00 2.94 2.91 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 95 F 9.02 4.67 0.00 3.35 3.21 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 0.00 96 L 8.58 4.53 0.00 1.73 1.68 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.64 4.25 0.00 2.27 2.29 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 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7.75 4.79 1.49 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 0.00 0.00 107 V 8.64 4.42 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 1.04 0.00 0.00 1.10 0.00 0.00 108 V 9.05 5.08 2.27 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 0.88 0.00 0.00 1.24 0.00 0.00 109 K 9.03 5.23 0.00 2.17 2.13 0.00 1.97 0.00 0.00 2.10 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.53 7.81 110 I 8.62 5.24 1.31 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.15 0.00 0.00 111 I 9.39 4.64 2.14 0.00 0.00 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 1.16 0.71 0.87 0.00 0.00 112 V 7.81 4.08 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 0.00 0.00 0.83 0.00 0.00 0.72 0.00 0.00 113 L 7.93 4.18 0.00 1.08 1.34 0.96 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 114 G 5.82 2.73 0.00 0.00 0.00 0.00 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7.92 3.06 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 0.96 0.00 0.00 140 R 7.71 3.78 0.00 1.95 1.89 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 141 D 8.04 4.29 0.00 2.52 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 0.00 142 M 7.76 3.92 0.00 1.52 1.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.08 0.00 143 L 7.21 4.23 0.00 1.39 1.44 0.06 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.53 4.26 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 145 K 7.52 4.13 0.00 1.99 1.78 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.55 7.81 146 P 0.00 4.32 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 147 Q 8.03 4.01 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.12 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 148 L 8.05 4.60 0.00 1.92 1.92 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.93 4.52 0.00 2.51 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 150 E 8.00 3.95 0.00 2.20 1.90 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 2.14 2.21 0.00 151 F 8.11 4.41 0.00 3.52 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 0.00 152 S 7.19 3.57 0.00 3.09 2.63 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 0.00 153 R 7.19 4.47 0.00 1.67 1.89 0.00 3.05 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 154 H 8.28 4.37 0.00 3.45 3.05 0.00 5.67 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.24 4.16 0.00 4.00 4.01 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 0.00 156 L 7.85 3.68 0.00 1.04 0.17 0.34 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 157 F 7.43 4.56 0.00 3.19 3.07 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 0.00 158 E 7.75 4.39 0.00 2.04 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 2.34 2.38 0.00 159 S 7.13 4.21 0.00 3.65 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 0.00 160 P 0.00 4.51 0.00 2.20 2.02 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 161 S 7.84 4.83 0.00 3.69 3.66 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 0.00 162 S 8.75 4.31 0.00 4.04 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 0.00 163 T 7.48 4.11 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 1.40 0.00 0.00 164 I 8.08 4.70 1.94 0.00 0.00 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 1.69 0.71 0.99 0.00 0.00 165 P 0.00 4.90 0.00 2.16 2.35 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 166 Y 9.09 4.94 0.00 3.24 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 0.00 167 F 7.99 5.24 0.00 2.88 2.59 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 0.00 168 E 8.10 4.58 0.00 2.09 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 2.22 2.33 0.00 169 D 8.77 4.99 0.00 2.68 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 0.00 170 L 8.26 4.89 0.00 1.66 1.66 0.90 1.06 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 0.00 171 P 0.00 4.46 0.00 2.23 2.07 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.