NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 L 4.2365 8.1849 122.4886 54.5185 44.1981 176.7930 35 L 4.2828 7.4706 119.3577 52.8394 43.0018 174.8205 36 R 4.8380 9.4545 126.0185 56.2179 32.1379 174.3988 37 Y 5.4063 9.0671 123.4270 55.6885 41.9152 173.8111 38 C 4.7746 8.6164 113.7797 57.0800 33.7060 172.7892 39 V 4.9278 9.0510 121.1957 61.4825 33.9891 173.9935 40 Q 5.0902 9.3805 127.5929 54.1367 31.5609 174.7803 41 K 3.9721 8.9390 125.8637 55.6262 33.3113 175.0481 42 H 4.7825 8.5961 129.9130 54.1261 30.9834 174.0913 43 D 4.7823 8.5061 130.9509 53.3475 39.0612 175.1618 44 A 4.7437 7.2445 123.4053 50.9008 21.7387 176.6304 45 S 4.2217 8.8383 109.5301 61.2956 62.6442 174.9097 46 R 4.5054 7.6291 119.7243 53.0780 31.4570 175.4968 47 L 4.2641 8.4475 125.6014 56.2061 42.7876 175.4167 48 H 5.0416 7.9589 118.9314 56.3023 32.5593 171.7489 49 Y 4.9719 8.8876 116.5472 56.2917 41.0858 174.8330 50 D 5.2328 9.6977 124.9878 53.0018 42.9680 175.2550 51 F 5.0133 9.4073 127.8791 56.8068 41.0254 174.5742 52 R 5.2174 8.6486 125.7340 54.3231 33.6784 174.9346 53 L 4.5383 8.8213 122.6372 52.4020 45.1549 175.6437 54 E 4.7101 9.3343 126.3204 56.3720 30.6985 176.1122 55 L 4.4795 9.7169 126.9040 55.6015 45.7344 174.5342 56 D 4.4780 9.9046 125.8380 55.6331 38.4076 174.4650 57 G 3.9160 8.9813 102.9420 46.0434 0.0000 173.1152 58 T 4.6898 7.7881 113.1499 60.4086 72.0723 172.4957 59 L 5.0541 8.8162 124.7429 52.7861 43.3439 176.5064 60 K 4.2732 9.0318 125.7192 56.3724 33.2549 176.6144 61 S 5.2416 7.8492 120.1612 56.4003 66.7874 172.9249 62 W 5.0970 9.4527 123.3149 54.7159 32.8392 174.4503 63 A 4.8764 9.2756 126.6915 51.3530 19.5748 176.5735 64 V 4.8858 9.2248 124.6055 60.2082 31.9128 174.3860 65 P 4.3046 0.0000 0.0000 65.0364 31.4270 178.3432 66 K 4.4297 8.0898 113.6214 55.3640 32.4463 176.5114 67 G 3.3821 7.9639 107.9548 43.6009 0.0000 172.0052 68 P 4.3774 0.0000 0.0000 62.6240 31.9167 175.4019 69 C 4.9046 8.4923 118.5824 57.8882 34.5380 173.9380 70 L 4.0238 8.6651 124.9282 55.5030 42.0190 175.8566 71 D 4.8124 7.7288 119.1851 51.6761 40.5934 174.7093 72 P 4.8812 0.0000 0.0000 64.4973 31.4464 177.7092 73 A 4.1378 8.2021 119.7016 53.2828 18.8350 177.4007 74 V 4.0776 7.8339 116.6913 61.5679 32.4935 174.9927 75 K 4.6729 8.5557 126.1840 54.8301 33.9252 175.5438 76 R 4.7747 8.5018 123.9741 53.9328 32.8750 175.6179 77 L 3.9455 8.7097 125.4261 55.3381 43.7831 175.6087 78 A 4.7181 8.5227 127.0963 50.1705 21.5819 174.6258 79 V 4.2182 8.7966 122.2490 62.7014 32.5003 175.1868 80 Q 3.7075 9.1660 130.7827 57.0923 29.3274 176.1299 81 V 4.5356 7.9562 119.7254 59.6079 35.4932 174.4358 82 E 3.9859 8.6719 122.0415 56.7078 30.0419 177.5428 83 D 4.6308 8.6367 126.1493 55.3801 41.6702 175.5012 84 H 4.9578 8.7191 118.8126 52.9047 32.8029 171.9657 85 P 4.6616 0.0000 0.0000 62.4139 32.2077 177.3802 86 L 4.0493 8.5887 119.9419 58.2509 41.3956 179.3083 87 D 4.5707 8.0850 117.3993 56.4323 40.9476 177.4427 88 Y 4.1340 8.2273 120.0429 59.7364 38.5591 177.0512 89 A 4.0805 7.8089 120.6396 54.6004 18.4271 177.6237 90 D 4.6091 7.3878 115.1631 53.9576 41.2291 175.9741 91 F 4.2398 7.7329 123.1236 57.3108 39.7786 174.6524 92 E 4.5242 8.7923 126.7619 53.1714 33.3102 177.0756 93 G 3.7348 6.7122 108.9062 46.1206 0.0000 171.1254 94 S 5.1438 8.2804 118.5087 56.7737 66.1657 173.9963 95 I 4.2904 8.7099 126.2055 59.7950 37.8794 173.7954 96 P 4.4200 0.0000 0.0000 63.5821 32.0434 176.7564 97 Q 4.0947 8.7019 120.1813 56.6052 28.5719 176.1759 98 G 4.0505 9.8717 107.6617 46.0993 0.0000 172.8245 99 H 4.5766 7.8993 117.0807 56.9040 36.6801 174.5672 *102 A 4.5923 7.4233 119.1760 51.4848 21.3456 176.9095 103 G 4.9491 7.7723 104.0484 45.5384 0.0000 174.7605 104 D 5.6309 8.8203 125.2978 51.2395 43.3094 174.1561 105 V 5.0913 9.2377 119.0444 61.1472 35.1233 174.2026 106 I 4.8441 8.3172 119.1344 58.9478 41.8093 174.9005 107 V 4.2499 8.9376 124.1604 61.9365 31.0640 176.2444 108 W 4.3348 9.3357 135.0000 60.2373 31.3487 175.4086 109 D 4.7694 8.1843 117.1424 53.3707 44.4917 173.8976 110 R 4.2352 7.5457 117.2089 54.5895 32.6915 174.8165 111 G 3.9453 6.1872 104.8723 46.0504 0.0000 171.0413 112 A 5.6737 8.4680 123.6817 49.9334 22.3178 176.0052 113 W 5.4849 9.2252 116.7578 55.0342 31.4991 175.1527 114 T 4.3323 9.2291 118.1720 60.9978 71.6125 171.4684 115 P 5.0771 0.0000 0.0000 62.9044 31.6610 176.5851 116 L 4.3924 9.2667 123.9217 56.3086 42.2963 176.6881 117 D 4.8776 7.9291 116.6166 51.0857 44.8286 174.6891 118 D 4.3845 8.8284 120.0225 54.2930 41.6822 175.8301 119 P 4.4380 0.0000 0.0000 66.1085 31.3893 178.5628 120 R 3.9812 8.1257 117.5712 59.0588 30.0561 178.5583 121 E 4.2002 8.7137 118.8083 58.5460 29.5551 179.1165 122 G 3.7198 8.1450 106.2804 47.6608 0.0000 175.7633 123 L 4.5681 8.4717 122.7164 57.2974 41.3844 179.4333 124 E 4.0064 7.9716 118.8628 59.2157 29.8268 178.7284 125 K 4.2723 8.3232 117.1243 57.9736 33.1015 177.4565 126 G 3.7051 9.4831 108.6189 45.0576 0.0000 172.3072 127 H 5.4739 9.2073 119.9999 54.9719 33.7292 171.8558 128 L 4.7369 9.3684 126.6890 53.1426 44.2678 175.2980 129 S 5.2773 8.7641 119.4795 56.6650 64.3252 172.6620 130 F 5.5857 8.4956 121.0973 55.8649 41.7934 172.8647 131 A 5.3331 9.8004 121.9538 50.3732 21.8535 175.5759 132 L 5.0938 9.0410 120.0091 53.2151 45.1950 175.4778 133 D 5.0064 9.8668 122.1733 52.5630 42.0252 174.7045 134 G 5.0764 8.5264 111.0013 43.2250 0.0000 169.2242 135 E 4.0322 8.5813 120.1059 59.1287 29.9553 178.8878 136 K 4.3228 8.5241 115.6364 57.9762 32.9143 176.9337 137 L 4.7543 8.6156 119.5018 54.2694 42.3899 176.4366 138 S 4.9593 8.1904 117.3495 58.0667 67.2573 174.1656 139 G 3.7914 8.8148 108.6076 44.7008 0.0000 172.4805 140 R 4.8335 8.5802 117.0225 55.3216 32.0343 176.0520 141 W 5.3391 8.7076 120.5740 55.4869 34.5594 173.6478 142 H 5.2179 9.3695 117.1308 54.4382 32.5688 172.7962 143 L 5.1602 9.3005 123.6080 53.2914 43.6986 175.4895 144 I 4.9929 9.0744 125.4568 59.5686 39.9280 174.7846 145 R 4.1385 8.3738 128.4605 54.5966 30.9392 176.2295 146 T 4.0200 8.1107 120.0663 62.3063 67.8720 174.1142 147 N 4.5013 8.4468 122.9246 53.8830 39.3249 175.4212 148 L 3.9679 7.6315 121.9576 54.5960 42.4540 176.0672 149 R 3.8806 8.4331 127.1424 57.7519 30.5065 176.2191 150 G 4.0352 10.1252 112.8057 45.6353 0.0000 173.7408 151 K 4.6741 7.7818 118.0959 55.9047 33.5898 178.4026 152 Q 4.0699 8.3383 119.6654 58.2735 28.9429 177.2920 153 S 4.6880 8.0362 111.6811 59.2374 64.8300 173.6417 154 Q 4.6411 8.2035 121.8396 55.2307 29.6845 174.9333 155 W 5.2727 8.8316 123.4129 54.7611 33.8855 174.4963 156 F 5.2809 9.2248 118.4148 56.0819 43.1324 173.9545 157 L 4.8273 9.0381 126.4676 53.9604 43.3230 175.2646 158 V 4.7931 8.9648 126.8136 60.7146 34.9713 174.5152 159 K 3.5083 8.5549 128.7814 55.9484 33.2051 175.6646 160 A 4.4110 7.7883 129.0915 51.0391 19.7032 177.7018 161 K 3.9885 8.4625 120.4964 56.6726 32.1145 175.8875 162 D 4.5005 7.9181 124.5650 52.6036 41.2493 175.8467 163 G 3.6226 8.6695 106.7784 48.7099 0.0000 174.1910 164 E 4.1788 8.1782 117.2095 56.5561 30.0461 176.3770 165 A 4.2233 7.5957 122.2643 52.0087 18.9954 177.4176 166 R 4.5499 8.6890 120.7668 53.9612 34.4061 174.9054 167 S 4.2820 8.8980 118.5722 58.6951 62.4726 175.0080 168 L 4.0283 9.4092 128.9763 58.0609 42.0296 178.1172 169 D 4.4609 8.1067 115.4643 53.9827 39.9835 176.5659 170 R 4.3857 7.4616 116.5393 56.9715 31.0603 175.9673 171 F 4.2885 8.3997 120.3691 55.9102 40.7218 173.7792 172 D 4.7070 8.1369 129.2551 52.5272 41.5859 176.2660 173 V 3.6985 8.5255 128.7277 65.0846 30.9351 178.1396 174 L 4.2665 7.9136 118.4025 57.5905 41.5012 179.0873 175 K 4.2165 7.7953 117.1141 59.1567 32.3222 178.7608 176 E 4.1809 8.1556 118.3617 57.6827 30.6667 177.4121 177 R 4.5964 7.9012 117.3036 53.7045 30.2135 173.1974 178 P 4.9646 0.0000 0.0000 63.3047 32.5754 176.3789 179 D 4.9875 7.5365 118.1396 51.9603 43.4657 175.6170 180 S 4.4013 8.3912 114.6688 59.1085 62.7080 174.0997 181 V 4.2090 8.1328 118.1174 61.1506 31.6124 176.6114 182 L 4.6895 8.1420 120.0896 54.5553 43.9579 176.7346 183 S 4.1329 7.7662 117.0076 58.4778 62.9130 173.6292 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 34 L 8.18 4.24 0.00 1.58 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.47 4.28 0.00 1.47 1.49 0.45 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.45 4.84 0.00 1.91 2.05 0.00 3.05 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 37 Y 9.07 5.41 0.00 2.87 3.08 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 38 C 8.62 4.77 0.00 2.86 2.90 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 39 V 9.05 4.93 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 1.33 0.00 0.00 1.15 0.00 0.00 40 Q 9.38 5.09 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 41 K 8.94 3.97 0.00 1.79 1.71 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 0.55 7.81 42 H 8.60 4.78 0.00 3.13 2.73 0.00 5.65 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.51 4.78 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.24 4.74 1.14 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 45 S 8.84 4.22 0.00 3.98 4.04 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 46 R 7.63 4.51 0.00 1.78 1.89 0.00 3.39 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 47 L 8.45 4.26 0.00 1.60 1.56 0.77 0.99 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 48 H 7.96 5.04 0.00 3.19 3.33 0.00 5.53 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 49 Y 8.89 4.97 0.00 2.96 2.81 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 50 D 9.70 5.23 0.00 2.62 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 51 F 9.41 5.01 0.00 3.05 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 52 R 8.65 5.22 0.00 1.69 1.73 0.00 3.17 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 53 L 8.82 4.54 0.00 0.95 0.13 -0.43 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 54 E 9.33 4.71 0.00 2.16 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 0.00 2.45 2.35 0.00 55 L 9.72 4.48 0.00 1.99 1.58 1.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.90 4.48 0.00 2.87 2.73 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 57 G 8.98 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 58 T 7.79 4.69 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 1.31 0.00 0.00 59 L 8.82 5.05 0.00 1.74 1.58 1.05 0.79 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 60 K 9.03 4.27 0.00 1.70 1.22 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.57 7.81 61 S 7.85 5.24 0.00 3.66 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 62 W 9.45 5.10 0.00 3.18 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 63 A 9.28 4.88 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 64 V 9.22 4.89 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 1.44 0.00 0.00 0.91 0.00 0.00 65 P 0.00 4.30 0.00 2.26 2.13 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 66 K 8.09 4.43 0.00 1.76 1.84 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.45 7.81 67 G 7.96 3.38 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 68 P 0.00 4.38 0.00 2.18 1.83 0.00 2.62 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 69 C 8.49 4.90 0.00 2.94 2.86 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 0.00 0.00 0.00 70 L 8.67 4.02 0.00 1.88 1.68 1.17 1.25 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 71 D 7.73 4.81 0.00 2.83 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 72 P 0.00 4.88 0.00 2.00 2.09 0.00 3.71 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 73 A 8.20 4.14 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 74 V 7.83 4.08 2.23 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 0.84 0.00 0.00 0.94 0.00 0.00 75 K 8.56 4.67 0.00 1.57 1.66 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.30 1.37 7.81 76 R 8.50 4.77 0.00 1.79 1.84 0.00 3.40 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 77 L 8.71 3.95 0.00 1.85 1.56 0.48 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.52 4.72 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 79 V 8.80 4.22 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 0.90 0.00 0.00 0.92 0.00 0.00 80 Q 9.17 3.71 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.38 0.00 0.00 0.00 0.00 0.00 1.95 1.16 0.00 81 V 7.96 4.54 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 0.70 0.00 0.00 0.85 0.00 0.00 82 E 8.67 3.99 0.00 1.86 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 2.14 2.24 0.00 83 D 8.64 4.63 0.00 2.48 2.52 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 84 H 8.72 4.96 0.00 3.05 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.66 0.00 2.24 2.16 0.00 3.56 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 2.10 1.93 0.00 86 L 8.59 4.05 0.00 1.74 1.80 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.08 4.57 0.00 2.74 2.76 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 88 Y 8.23 4.13 0.00 3.06 3.08 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 89 A 7.81 4.08 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 90 D 7.39 4.61 0.00 2.62 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 91 F 7.73 4.24 0.00 2.58 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 0.00 0.00 0.00 0.00 92 E 8.79 4.52 0.00 1.66 1.56 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 2.09 2.08 0.00 93 G 6.71 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 94 S 8.28 5.14 0.00 3.77 3.79 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 95 I 8.71 4.29 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.98 0.00 0.00 96 P 0.00 4.42 0.00 2.13 2.22 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 97 Q 8.70 4.09 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 98 G 9.87 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 99 H 7.90 4.58 0.00 3.09 3.40 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *102 A 7.42 4.59 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 0.00 103 G 7.77 4.95 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 0.00 0.00 0.00 104 D 8.82 5.63 0.00 2.88 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 0.00 105 V 9.24 5.09 2.21 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 1.07 0.00 0.00 0.80 0.00 0.00 106 I 8.32 4.84 1.99 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 1.15 0.89 0.89 0.00 0.00 107 V 8.94 4.25 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 0.89 0.00 0.00 0.95 0.00 0.00 108 W 9.34 4.33 0.00 3.43 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 0.00 109 D 8.18 4.77 0.00 2.66 2.73 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 0.00 110 R 7.55 4.24 0.00 1.63 1.79 0.00 3.06 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 111 G 6.19 3.95 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 0.00 0.00 0.00 112 A 8.47 5.67 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 0.00 113 W 9.23 5.48 0.00 3.57 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 0.00 114 T 9.23 4.33 4.28 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 1.15 0.00 0.00 115 P 0.00 5.08 0.00 2.32 2.16 0.00 3.31 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 116 L 9.27 4.39 0.00 1.58 1.81 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.93 4.88 0.00 2.70 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 0.00 118 D 8.83 4.38 0.00 2.75 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 0.00 119 P 0.00 4.44 0.00 2.52 2.54 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 120 R 8.13 3.98 0.00 2.07 2.08 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 121 E 8.71 4.20 0.00 2.16 2.02 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 2.36 2.43 0.00 122 G 8.14 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 0.00 0.00 0.00 123 L 8.47 4.57 0.00 1.85 1.96 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.97 4.01 0.00 2.08 2.25 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 2.38 2.38 0.00 125 K 8.32 4.27 0.00 1.99 1.99 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.93 1.57 7.81 126 G 9.48 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 0.00 127 H 9.21 5.47 0.00 3.22 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 9.37 4.74 0.00 1.74 1.79 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 129 S 8.76 5.28 0.00 4.00 3.95 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 0.00 130 F 8.50 5.59 0.00 3.66 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 0.00 131 A 9.80 5.33 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 0.00 132 L 9.04 5.09 0.00 1.73 1.30 0.25 0.84 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 0.00 133 D 9.87 5.01 0.00 2.76 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 0.00 134 G 8.53 5.08 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 0.00 135 E 8.58 4.03 0.00 1.82 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 2.21 2.21 0.00 136 K 8.52 4.32 0.00 1.65 1.69 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.09 1.00 7.81 137 L 8.62 4.75 0.00 1.87 1.84 0.95 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.19 4.96 0.00 3.90 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 0.00 139 G 8.81 3.79 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 0.00 0.00 0.00 140 R 8.58 4.83 0.00 1.58 1.69 0.00 3.04 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 141 W 8.71 5.34 0.00 1.78 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 H 9.37 5.22 0.00 3.05 3.25 0.00 5.59 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 0.00 143 L 9.30 5.16 0.00 1.58 1.54 -0.72 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.07 4.99 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.00 0.94 0.00 0.00 145 R 8.37 4.14 0.00 0.67 0.95 0.00 3.19 0.00 0.00 2.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 146 T 8.11 4.02 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 1.21 0.00 0.00 147 N 8.45 4.50 0.00 2.72 2.82 0.00 0.00 6.91 7.85 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 0.00 148 L 7.63 3.97 0.00 1.75 1.55 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.43 3.88 0.00 1.80 1.82 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 150 G 10.13 4.04 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 0.00 0.00 0.00 151 K 7.78 4.67 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.56 7.81 152 Q 8.34 4.07 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 153 S 8.04 4.69 0.00 4.12 4.15 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 0.00 154 Q 8.20 4.64 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 155 W 8.83 5.27 0.00 3.47 3.10 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 0.00 156 F 9.22 5.28 0.00 2.95 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 0.00 157 L 9.04 4.83 0.00 1.44 1.43 0.47 0.24 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 0.00 158 V 8.96 4.79 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 0.98 0.00 0.00 1.00 0.00 0.00 159 K 8.55 3.51 0.00 1.33 1.30 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.17 0.93 7.81 160 A 7.79 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.46 3.99 0.00 1.70 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.36 7.81 162 D 7.92 4.50 0.00 2.78 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 0.00 163 G 8.67 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 0.00 0.00 0.00 164 E 8.18 4.18 0.00 1.99 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 2.25 2.49 0.00 165 A 7.60 4.22 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 0.00 166 R 8.69 4.55 0.00 1.78 1.82 0.00 2.80 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 167 S 8.90 4.28 0.00 3.91 3.77 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 0.00 168 L 9.41 4.03 0.00 1.84 1.73 0.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.11 4.46 0.00 2.82 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 0.00 170 R 7.46 4.39 0.00 2.17 2.11 0.00 3.08 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 171 F 8.40 4.29 0.00 3.00 2.97 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 0.00 172 D 8.14 4.71 0.00 2.72 2.48 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 0.00 173 V 8.53 3.70 2.48 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 1.12 0.00 0.00 1.39 0.00 0.00 174 L 7.91 4.27 0.00 1.68 1.79 0.76 0.03 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 0.00 175 K 7.80 4.22 0.00 1.76 1.83 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.45 7.81 176 E 8.16 4.18 0.00 1.41 1.74 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 1.86 1.47 0.00 177 R 7.90 4.60 0.00 1.67 1.67 0.00 3.38 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 178 P 0.00 4.96 0.00 2.30 2.41 0.00 3.76 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 2.01 2.04 0.00 179 D 7.54 4.99 0.00 2.65 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 0.00 180 S 8.39 4.40 0.00 3.82 3.75 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 0.00 0.00 0.00 181 V 8.13 4.21 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 0.59 0.00 0.00 0.92 0.00 0.00 182 L 8.14 4.69 0.00 1.66 1.60 0.85 0.82 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 0.00 183 S 7.77 4.13 0.00 3.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.