NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.5030 0.0000 0.0000 62.7938 32.4765 175.3960 12 K 4.3998 8.6718 126.1205 53.4351 35.5737 173.7753 13 L 4.9270 9.5270 121.5867 53.1919 45.6479 176.0014 14 L 4.9330 8.6476 124.3295 53.8654 43.1364 174.8401 15 Y 5.2878 9.2597 127.1220 56.7039 40.2446 173.8228 16 C 4.1838 9.1116 129.3515 57.9102 32.3485 173.9878 17 S 3.8228 8.2014 122.9240 61.4068 62.4358 174.2870 18 N 4.1627 7.3634 120.6811 53.4694 36.4022 174.0564 19 G 3.7992 8.6064 111.2295 43.5877 0.0000 171.1196 20 G 3.9395 6.9578 106.3918 46.3397 0.0000 171.2989 21 H 4.8420 7.3183 114.3956 53.7529 33.4709 174.4469 22 F 5.7755 8.5304 116.8475 55.5277 42.0222 175.2925 23 L 4.4362 9.4017 126.3828 55.5719 43.1184 175.5699 24 R 4.6545 9.7536 127.6885 54.7936 32.9955 174.2719 25 I 4.5971 8.0929 128.9045 59.6936 37.0260 176.0702 26 L 4.0583 9.1857 128.3142 53.3367 42.2412 176.8880 27 P 4.2605 0.0000 0.0000 65.8817 30.6807 176.2089 28 D 4.6776 8.0574 117.5176 53.3910 39.9086 178.1078 29 G 4.0479 8.0580 107.4915 47.0330 0.0000 174.6013 30 T 4.4273 7.5429 116.9537 63.0944 69.1974 173.8350 31 V 5.0095 8.0161 124.3214 61.2612 35.1220 174.4554 32 D 4.4322 8.8485 127.2088 53.1775 44.6590 173.9628 33 G 5.1398 8.2021 105.4492 45.4491 0.0000 171.6814 34 T 4.6794 8.2527 111.6915 61.2128 70.0719 174.6690 35 R 3.9176 8.7736 127.0012 58.6743 30.6387 176.0809 36 D 4.6045 7.9893 118.4521 54.1057 39.4495 176.2856 37 R 3.7841 8.5313 125.3805 58.9094 30.3468 177.2382 38 S 4.3669 7.9793 109.7488 58.4324 62.3471 173.2413 39 D 4.5182 8.0746 119.7095 54.9054 41.4146 175.6155 40 Q 4.4046 8.5239 123.9672 56.5043 28.7179 175.6572 41 H 4.9784 8.8485 114.8305 55.4959 29.9421 174.6593 42 I 4.6258 7.6944 110.4334 59.7332 38.6642 175.0192 43 Q 4.3980 7.8002 121.9668 55.5187 29.9036 174.7161 44 L 4.9338 9.1713 124.2631 52.8274 46.0336 175.2988 45 Q 4.6849 9.2304 124.6651 54.5442 30.8364 174.4168 46 L 5.2785 8.5363 127.4032 53.2244 42.4179 175.8901 47 S 4.7024 8.7223 119.7648 56.5907 64.2083 173.0031 48 A 4.8665 8.7154 130.9906 51.3857 17.9102 176.3183 49 E 4.3036 8.7710 122.7275 57.6912 30.3586 175.9909 50 S 4.5920 7.6785 112.6397 58.5543 66.4357 177.0402 51 V 3.5996 8.7635 121.3592 65.8707 31.1401 176.4669 52 G 4.2007 8.0606 102.7962 45.5673 0.0000 172.1196 53 E 5.3128 8.2140 120.6583 55.1461 31.9797 175.5076 54 V 5.3047 8.7441 114.9965 60.3428 37.2429 173.5914 55 Y 4.8811 9.3801 118.2952 56.6354 42.3143 175.6434 56 I 4.5669 8.6422 121.4254 59.6989 40.2334 173.8041 57 K 4.7252 8.5880 128.3636 54.0046 35.3202 175.1082 58 S 4.6187 8.9325 121.1404 58.7340 63.0220 174.8224 59 T 3.9730 8.1047 117.0892 64.2668 69.1849 175.9697 60 E 4.0289 8.3934 122.0805 58.4600 29.7979 177.1897 61 T 4.3358 8.1505 106.3518 60.7375 70.2939 175.5549 62 G 4.2283 8.1217 109.3594 44.9959 0.0000 173.6734 63 Q 4.3655 7.3879 117.7795 56.6531 30.1573 175.0286 64 Y 4.8888 9.1484 120.0014 56.2608 40.8793 174.7769 65 L 4.6169 8.9660 125.9715 55.0065 43.3116 174.6148 66 A 5.1208 8.5249 130.0201 50.5960 23.1495 173.0367 *68 D 5.3143 8.7242 112.2191 54.4887 40.5280 175.9243 69 T 4.3697 8.5544 107.3138 64.0629 69.1440 174.5713 70 D 4.5682 8.3298 120.8376 53.9402 41.3525 177.1706 71 G 3.1794 7.8434 108.4580 45.0259 0.0000 173.4775 72 L 4.4209 8.1508 120.5205 54.1144 42.2763 176.5839 73 L 4.8582 8.3915 123.5107 54.2696 42.9604 175.2551 74 Y 5.0374 9.1606 120.3421 55.8022 42.4747 174.1611 75 G 3.8756 8.9652 107.6975 44.7547 0.0000 173.6204 76 S 4.7055 8.9966 122.8558 57.7665 63.3643 174.8571 77 Q 4.5059 8.8972 123.2113 56.8388 29.4953 176.1302 78 T 4.5967 7.4234 114.2656 60.6586 71.3738 172.5554 79 P 4.0344 0.0000 0.0000 62.2673 30.4951 174.7533 80 N 5.2210 7.9225 125.7928 51.4436 39.7737 174.8374 81 E 3.8391 8.7054 116.5360 59.9048 30.2298 179.2327 82 E 4.2307 8.2927 116.1323 57.7518 29.6149 177.8338 83 C 4.6643 7.2691 115.6594 59.7739 29.2000 173.9418 84 L 3.8344 6.8574 119.7055 54.0929 42.2968 176.2459 85 F 5.1515 8.4625 121.8056 55.6110 43.3313 173.9620 86 L 4.8678 8.9117 122.5296 53.8566 43.1029 175.1989 87 E 4.6602 8.7307 125.7292 54.9574 30.9261 175.4255 88 R 4.5852 8.9308 125.5269 54.2860 34.2859 174.9914 89 L 4.6726 8.6049 125.4762 54.2276 40.8291 175.9414 90 E 4.1035 8.5053 125.5319 58.2157 29.5831 177.0068 91 E 4.8456 7.9686 116.6776 54.1012 33.6166 176.1405 92 N 4.4182 8.8219 117.3410 55.9793 38.6719 175.8804 93 H 4.8034 7.7468 111.8788 55.6112 31.3813 173.2717 94 Y 5.0382 7.9267 116.4369 56.9061 40.0859 174.5153 95 N 5.3708 10.0920 121.5701 51.7671 41.8802 173.7948 96 T 5.2385 8.9571 112.3166 60.1867 72.1501 172.5281 97 Y 5.0778 9.0371 121.9541 56.4891 40.6038 174.0788 98 I 4.5050 8.5875 125.7543 58.8436 40.4222 174.6382 99 S 4.6039 9.0026 124.1726 58.7606 62.5986 174.8752 100 K 3.8940 8.4037 130.0067 59.3393 32.1100 177.8941 101 K 3.9125 7.7189 119.7076 59.8685 32.6040 177.4245 102 H 4.5602 8.2663 113.4584 55.9443 28.8541 177.3895 103 A 4.1877 7.9767 125.2596 54.4971 18.1325 180.6943 104 E 3.4012 8.1409 111.6508 59.2380 29.2522 177.9908 105 K 3.9008 7.6237 116.3369 55.5848 32.7504 175.7111 106 N 4.0037 8.3950 117.7789 54.4915 37.5761 174.5117 107 W 5.3179 7.7498 118.3289 55.7246 31.5735 177.4513 108 F 5.4986 9.4132 124.1007 55.7833 41.5775 175.1416 109 V 4.2129 8.5872 120.3826 62.1293 32.0975 175.4743 110 G 4.3767 8.6402 113.1599 45.3091 0.0000 171.2418 111 L 5.2508 7.9850 122.1684 52.2462 44.0887 177.1380 112 K 4.1497 8.8524 123.0306 55.9374 32.8372 178.3839 113 K 3.9586 8.4908 120.3740 59.8011 31.9739 178.2718 114 N 4.5321 7.9565 112.1668 53.1637 37.0691 174.1547 115 G 4.1306 8.2753 110.3858 46.0169 0.0000 174.7797 116 S 4.4773 7.6510 114.8954 58.4935 63.4945 173.2697 117 C 4.5856 8.3134 117.2331 58.1202 30.4518 172.8791 118 K 4.2854 9.0054 124.5379 55.4004 32.5298 176.6890 119 R 3.7927 8.7729 126.9649 56.4255 31.0108 177.6529 120 G 3.4361 8.8112 114.1646 48.1385 0.0000 174.1794 121 P 4.6397 0.0000 0.0000 64.7011 31.2606 177.0814 122 R 4.3363 7.9975 116.7007 56.3718 30.4487 176.0921 123 T 4.8536 7.3158 108.4172 60.7791 71.0753 173.0709 124 H 4.9290 9.3797 120.1360 55.1270 33.1914 172.4452 125 Y 3.5203 8.4151 124.8430 59.2356 38.7791 176.5721 126 G 3.9767 8.2178 114.8156 45.3101 0.0000 173.7688 127 Q 4.1373 7.4229 119.4599 55.3316 29.6206 177.5287 128 K 3.7620 8.3666 119.9836 59.1218 32.5443 178.9126 129 A 3.9617 7.8225 120.7431 53.4105 18.3230 178.0065 130 I 4.3125 6.9684 107.2054 60.1315 38.8062 175.6348 131 L 4.2167 7.3187 123.0719 54.5485 42.1021 175.8792 132 F 5.1917 9.3292 123.0645 55.4966 42.8120 174.3276 133 L 5.2113 9.4949 124.7079 52.6663 44.1682 174.3365 134 P 5.0493 0.0000 0.0000 63.0212 29.6463 173.6656 135 L 4.4193 9.1476 130.4011 54.2456 43.4783 174.2472 136 P 4.9594 0.0000 0.0000 62.6631 32.6978 176.9002 137 V 3.9124 7.8495 119.2843 62.3688 30.9420 173.9553 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 11 P 0.00 4.50 0.00 1.87 1.96 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 12 K 8.67 4.40 0.00 1.69 1.78 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.50 7.81 13 L 9.53 4.93 0.00 1.76 1.41 0.57 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.65 4.93 0.00 1.43 1.37 0.28 0.83 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 15 Y 9.26 5.29 0.00 3.37 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 16 C 9.11 4.18 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 3.82 0.00 3.82 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 0.00 18 N 7.36 4.16 0.00 2.50 2.55 0.00 0.00 7.22 7.98 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 19 G 8.61 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 0.00 0.00 0.00 20 G 6.96 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 21 H 7.32 4.84 0.00 2.99 3.30 0.00 5.76 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.53 5.78 0.00 3.28 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 23 L 9.40 4.44 0.00 1.61 1.45 0.95 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.75 4.65 0.00 1.90 2.05 0.00 3.52 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 25 I 8.09 4.60 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.90 0.00 0.00 26 L 9.19 4.06 0.00 1.80 1.61 0.95 0.85 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 27 P 0.00 4.26 0.00 2.16 2.20 0.00 3.57 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 28 D 8.06 4.68 0.00 2.86 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 29 G 8.06 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 30 T 7.54 4.43 4.38 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 1.23 0.00 0.00 31 V 8.02 5.01 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 0.85 0.00 0.00 1.03 0.00 0.00 32 D 8.85 4.43 0.00 2.81 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 33 G 8.20 5.14 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 0.00 0.00 0.00 34 T 8.25 4.68 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 1.38 0.00 0.00 35 R 8.77 3.92 0.00 1.83 1.97 0.00 3.40 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 36 D 7.99 4.60 0.00 2.76 2.67 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 0.00 0.00 0.00 0.00 37 R 8.53 3.78 0.00 1.95 2.00 0.00 2.89 0.00 0.00 2.86 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 38 S 7.98 4.37 0.00 3.90 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 39 D 8.07 4.52 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 40 Q 8.52 4.40 0.00 1.85 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.21 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 41 H 8.85 4.98 0.00 3.30 3.40 0.00 5.56 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.69 4.63 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 1.05 0.00 0.00 43 Q 7.80 4.40 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 44 L 9.17 4.93 0.00 1.41 1.41 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.23 4.68 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 46 L 8.54 5.28 0.00 1.61 1.72 0.89 1.20 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 47 S 8.72 4.70 0.00 3.97 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 48 A 8.72 4.87 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 49 E 8.77 4.30 0.00 2.53 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 0.00 2.41 2.45 0.00 50 S 7.68 4.59 0.00 4.08 3.72 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 51 V 8.76 3.60 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 0.79 0.00 0.00 0.95 0.00 0.00 52 G 8.06 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 53 E 8.21 5.31 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 54 V 8.74 5.30 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 1.13 0.00 0.00 1.29 0.00 0.00 55 Y 9.38 4.88 0.00 3.19 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 56 I 8.64 4.57 1.85 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.95 0.71 0.00 0.00 57 K 8.59 4.73 0.00 0.79 1.18 0.00 1.40 0.00 0.00 0.63 0.00 0.00 2.59 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.00 0.93 7.81 58 S 8.93 4.62 0.00 3.84 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 59 T 8.10 3.97 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 1.15 0.00 0.00 60 E 8.39 4.03 0.00 1.91 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 2.23 2.29 0.00 61 T 8.15 4.34 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 1.27 0.00 0.00 62 G 8.12 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 63 Q 7.39 4.37 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 64 Y 9.15 4.89 0.00 2.95 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 65 L 8.97 4.62 0.00 1.88 1.73 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.52 5.12 0.61 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 *68 D 8.72 5.31 0.00 2.90 2.68 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 69 T 8.55 4.37 4.38 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 1.34 0.00 0.00 70 D 8.33 4.57 0.00 2.73 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 71 G 7.84 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 0.00 0.00 0.00 72 L 8.15 4.42 0.00 2.07 1.65 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.39 4.86 0.00 1.68 1.64 0.92 0.89 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 74 Y 9.16 5.04 0.00 3.04 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 75 G 8.97 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 76 S 9.00 4.71 0.00 3.61 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.90 4.51 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 78 T 7.42 4.60 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 1.19 0.00 0.00 79 P 0.00 4.03 0.00 1.69 0.62 0.00 3.60 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 1.75 1.61 0.00 80 N 7.92 5.22 0.00 2.93 2.99 0.00 0.00 5.79 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 81 E 8.71 3.84 0.00 1.99 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 0.00 2.30 2.26 0.00 82 E 8.29 4.23 0.00 2.34 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 0.00 2.37 2.36 0.00 83 C 7.27 4.66 0.00 2.93 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 6.86 3.83 0.00 1.30 1.28 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.46 5.15 0.00 3.00 3.05 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 86 L 8.91 4.87 0.00 1.62 1.61 0.91 0.93 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 87 E 8.73 4.66 0.00 1.97 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 1.83 1.47 0.00 88 R 8.93 4.59 0.00 1.71 1.79 0.00 3.37 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 89 L 8.60 4.67 0.00 1.58 1.62 1.03 0.97 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 90 E 8.51 4.10 0.00 1.92 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 2.20 1.95 0.00 91 E 7.97 4.85 0.00 2.16 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 2.18 2.38 0.00 92 N 8.82 4.42 0.00 2.38 2.78 0.00 0.00 6.71 8.16 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 93 H 7.75 4.80 0.00 2.58 2.99 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.93 5.04 0.00 2.93 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 95 N 10.09 5.37 0.00 2.67 2.27 0.00 0.00 6.46 6.93 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 96 T 8.96 5.24 4.47 0.00 0.00 0.00 0.00 0.00 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 97 Y 9.04 5.08 0.00 2.74 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 98 I 8.59 4.51 1.15 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.81 0.87 0.00 0.00 99 S 9.00 4.60 0.00 4.38 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 0.00 100 K 8.40 3.89 0.00 1.64 1.70 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.34 7.81 101 K 7.72 3.91 0.00 1.70 1.60 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.27 1.35 7.81 102 H 8.27 4.56 0.00 3.37 2.76 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.98 4.19 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 0.00 104 E 8.14 3.40 0.00 2.01 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 0.00 2.12 2.20 0.00 105 K 7.62 3.90 0.00 0.81 1.03 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.57 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.05 0.84 7.81 106 N 8.40 4.00 0.00 2.85 3.02 0.00 0.00 7.02 5.12 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 0.00 107 W 7.75 5.32 0.00 3.38 3.04 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 0.00 108 F 9.41 5.50 0.00 2.80 3.05 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 0.00 109 V 8.59 4.21 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 0.47 0.00 0.00 0.50 0.00 0.00 110 G 8.64 4.38 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 0.00 111 L 7.98 5.25 0.00 1.40 1.48 1.07 1.07 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 0.00 112 K 8.85 4.15 0.00 1.94 1.70 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 113 K 8.49 3.96 0.00 1.67 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.35 7.81 114 N 7.96 4.53 0.00 2.81 2.89 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.28 4.13 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 0.00 0.00 0.00 116 S 7.65 4.48 0.00 3.84 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 0.00 117 C 8.31 4.59 0.00 2.99 3.04 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 0.00 118 K 9.01 4.29 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81 119 R 8.77 3.79 0.00 1.70 1.63 0.00 3.11 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 120 G 8.81 3.44 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 0.00 121 P 0.00 4.64 0.00 2.24 2.30 0.00 3.08 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.73 0.00 122 R 8.00 4.34 0.00 1.89 1.99 0.00 3.09 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 123 T 7.32 4.85 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 1.30 0.00 0.00 124 H 9.38 4.93 0.00 3.18 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.42 3.52 0.00 3.24 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 0.00 126 G 8.22 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 0.00 127 Q 7.42 4.14 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 128 K 8.37 3.76 0.00 1.73 1.64 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.29 7.81 129 A 7.82 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 0.00 130 I 6.97 4.31 1.65 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.39 0.71 0.00 0.00 131 L 7.32 4.22 0.00 1.39 1.17 0.50 0.79 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 0.00 132 F 9.33 5.19 0.00 3.45 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 0.00 133 L 9.49 5.21 0.00 1.84 1.82 0.63 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.05 0.00 2.17 2.19 0.00 4.01 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 2.02 2.02 0.00 135 L 9.15 4.42 0.00 1.91 1.93 0.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.96 0.00 1.95 1.96 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 137 V 7.85 3.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.