NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 D 4.7007 8.2233 120.2008 54.2920 43.8729 177.1969 46 K 3.8279 7.9047 118.5647 57.6702 32.7570 177.6977 47 T 4.0659 8.6461 110.8785 64.4903 69.4463 176.8016 48 T 3.9104 7.8174 118.3136 66.5132 68.5708 175.9564 49 F 4.1374 8.0451 122.6359 61.4505 39.2752 177.1918 50 R 3.6162 7.8176 117.9765 59.1715 29.9174 178.4258 51 L 4.0841 8.0523 119.6364 58.5327 40.5995 179.2981 52 L 4.1107 8.1441 120.0931 57.7601 41.5589 179.5309 53 R 4.0807 8.2639 118.3141 58.9961 29.9934 179.3696 54 G 3.6169 8.2293 105.8471 47.5962 0.0000 175.4845 55 E 4.1631 8.2225 121.1985 58.8621 29.5477 178.7420 56 S 4.1644 8.0383 113.0108 61.4953 62.4857 175.8797 57 N 4.4886 8.0889 119.1661 56.2814 38.2454 176.7725 58 L 3.9314 7.9192 121.3410 58.6579 41.9391 179.1575 59 F 3.7379 8.3390 116.0169 60.4303 39.0745 176.9403 60 Y 4.0404 8.2127 119.3518 60.9394 38.3835 177.9056 61 T 3.6774 7.9994 115.5759 66.6498 68.8757 175.8486 62 L 4.0687 7.9651 118.1969 54.4863 41.8743 176.1519 63 A 4.8428 6.9719 121.9546 50.8593 19.9406 177.0902 64 K 4.6638 9.3116 119.6172 55.0264 36.9143 175.3780 65 W 5.1156 8.8702 121.2789 55.0445 30.4545 175.1879 66 E 4.6556 8.7828 122.8841 55.6650 32.3081 175.1024 67 N 3.9250 9.0074 117.3815 55.8377 35.6251 173.5179 68 N 4.6461 8.4779 108.3307 53.0881 36.8894 173.8795 69 K 3.5250 7.0020 113.1745 55.7579 36.6914 174.8395 70 L 4.3090 7.2557 123.4735 54.5141 43.0161 175.5132 71 H 5.0045 9.2193 122.6087 53.9414 33.3795 172.3247 72 V 4.4046 8.2861 120.4046 61.1702 33.7818 175.1244 73 E 4.3932 8.8686 128.4996 55.1737 29.1357 175.2444 74 L 4.5925 8.0873 124.0340 51.3749 44.4391 175.2432 75 P 4.3194 0.0000 0.0000 62.8632 31.2594 175.5466 76 E 3.8803 8.5305 117.8153 59.8823 30.3340 178.4135 77 N 4.8174 7.7081 116.6627 52.3416 37.9393 176.1904 78 I 3.7742 7.5940 116.9205 64.3598 38.1614 177.6740 79 D 4.6011 8.3211 120.7197 57.1892 40.4612 178.7896 80 K 4.1159 7.5329 115.5867 58.0777 32.4078 178.6065 81 Q 4.2470 8.0948 117.5795 56.7675 29.2357 175.7956 82 S 4.6352 7.1268 113.2477 56.6311 66.4154 173.0055 83 P 4.8029 0.0000 0.0000 61.5721 30.3886 173.7878 84 T 5.1182 6.9164 110.4777 60.4915 71.3072 173.6405 *86 T 4.4457 8.2520 115.4873 64.0243 70.2952 173.1195 87 L 5.3677 8.9755 124.0094 53.0932 46.3153 175.6050 88 I 5.1363 8.9395 122.5300 60.0308 40.5731 174.3182 89 Y 5.3908 9.6654 124.9075 56.2497 41.6997 175.0503 90 D 5.1587 8.6187 121.3169 51.8177 41.6978 177.2200 91 E 3.9879 9.0062 116.1376 59.1447 29.3475 177.4689 92 N 4.6348 8.6695 115.4285 52.9161 38.7417 175.4907 93 G 3.9353 8.5524 106.7297 46.1305 0.0000 173.3857 94 Q 4.5961 8.3418 118.2672 53.6384 30.2140 175.0080 95 L 3.8727 8.5199 124.6436 55.1251 42.5744 176.1602 96 L 4.6687 8.3711 125.6899 55.3230 44.1246 176.7832 97 W 4.7321 7.5812 125.8029 56.2336 33.8733 172.9594 98 A 4.8107 7.4773 127.6975 49.7932 21.0989 176.5548 99 Q 2.9015 8.5776 124.1905 58.7258 29.6185 176.1856 100 R 4.0880 6.8173 115.5518 55.4392 33.4379 173.2655 101 D 4.4787 8.4859 121.6969 53.4717 40.9919 176.5552 102 V 4.2357 7.6840 120.4742 58.0308 32.3015 174.3938 103 P 4.1465 0.0000 0.0000 65.3856 31.6583 177.8992 104 W 4.3931 8.1828 113.8629 59.5607 28.0152 177.7935 105 L 2.7467 5.9664 118.6440 54.4652 40.5083 176.8930 *107 K 3.8853 7.8677 113.4209 55.7612 33.2201 177.1955 *109 I 3.6905 7.6143 119.3983 60.7130 37.3412 175.1789 110 Q 3.5300 6.0430 124.2387 54.8827 29.0279 175.8620 111 P 4.0195 0.0000 0.0000 66.0577 32.0056 177.9145 112 D 4.3841 8.2090 117.4391 57.6530 40.4596 178.9352 113 W 4.5476 7.8221 117.4992 60.0078 29.1101 177.9739 114 L 4.2701 7.9531 116.7822 55.9068 41.0682 177.3799 115 K 4.5875 7.6883 118.5164 55.5011 32.5093 176.2610 116 S 4.8400 7.3708 112.5598 57.9242 64.6758 176.2673 117 N 4.7630 8.9073 119.6554 53.6663 39.0620 174.5526 118 G 4.0233 8.7477 109.3180 45.4924 0.0000 171.5530 119 F 5.2995 8.1868 121.6848 56.7575 41.7517 173.3124 120 H 4.7227 8.4259 123.6529 53.8704 32.9200 171.9263 121 E 5.1202 8.3148 117.1298 55.1826 33.0626 175.2958 122 I 4.8725 8.9068 117.1364 59.2057 41.3522 174.0058 123 E 5.1730 8.9573 120.9495 54.7319 32.3666 175.1793 124 A 4.1997 8.1433 123.2401 50.2531 22.7834 174.9613 125 D 4.6823 7.8525 118.4329 51.5936 41.8630 177.6671 126 V 3.4812 7.8547 118.3770 66.5691 30.9682 177.6942 127 N 4.2948 8.0719 113.9347 56.5534 38.6895 176.6795 128 D 4.4375 7.3864 120.5218 57.5762 40.5053 178.7781 129 T 3.9704 7.9232 116.6952 66.7466 68.4498 176.4877 130 S 4.2635 8.2412 115.5854 60.7476 62.0578 176.1766 131 L 4.4434 7.9262 122.5573 56.9768 41.2443 178.9261 132 L 4.3255 7.7068 118.0292 56.7560 41.5248 178.2204 133 L 4.4260 7.0904 117.5935 55.6093 43.7002 177.7599 134 S 3.5716 8.2947 111.9127 59.6358 61.3678 172.5098 *137 H 4.8018 8.1207 123.5429 55.8577 31.4328 174.4067 138 S 4.3829 7.9226 111.9413 59.4016 63.2326 175.4794 139 I 3.7818 7.6477 122.6778 63.8278 37.7295 177.1051 140 Q 3.9534 7.7784 121.0744 59.1551 28.8411 177.8899 141 Q 3.9536 7.9510 120.6399 59.1410 29.0342 178.0820 142 Q 4.1804 7.9860 118.6475 59.0856 28.7889 178.6380 143 L 3.9694 8.3375 120.3616 57.6784 41.4912 179.3699 144 Q 3.9426 8.0556 119.7992 59.0900 28.9820 178.0699 145 E 3.9414 8.2128 119.8194 59.3238 29.4366 179.4594 146 V 3.6205 7.9979 118.5520 66.0312 31.3419 178.3483 147 R 3.9180 7.9439 117.2031 59.2191 29.9322 178.5251 148 E 4.0927 8.3773 118.2059 58.7963 29.4680 178.2000 149 D 4.9282 7.4052 116.9816 53.9320 40.9296 176.1411 150 D 4.3096 8.0238 118.4351 53.6784 42.2759 174.7388 151 D 4.5814 8.6254 124.2581 54.0735 39.6641 176.6994 152 D 4.7995 8.4625 118.6284 53.9853 41.2374 176.1495 153 A 4.0178 7.8691 123.7271 52.6633 18.8492 177.9049 154 E 4.6891 8.2252 121.2052 55.1376 32.6708 174.9792 *156 T 4.3841 8.1644 115.1251 64.3914 70.2711 173.0043 157 H 5.1944 9.2343 123.2268 53.9549 32.2608 173.6475 158 S 4.4768 8.6367 118.5654 58.3204 64.5277 173.2808 159 V 4.8406 8.0670 122.5995 61.1460 34.6740 173.7232 160 A 5.3486 9.4825 130.2820 50.4488 21.3913 175.3415 161 V 4.7893 9.0459 123.4542 61.2317 34.0921 174.1746 162 N 5.3024 9.4112 125.4174 51.4706 41.8886 173.3833 163 V 4.3505 9.0739 124.8782 61.6678 33.0119 174.6983 164 Y 4.4860 9.3351 127.2102 55.1693 39.5501 173.4475 165 P 4.5919 0.0000 0.0000 62.5776 31.8171 176.0273 166 A 4.2724 8.6984 124.2527 52.8277 19.1834 176.0822 167 T 4.6989 8.1384 112.4302 59.8765 71.1031 174.1367 168 S 4.2676 8.8535 119.3720 60.9176 63.0103 176.1250 169 R 4.4333 7.5709 115.7883 54.7856 29.4074 173.0772 *171 P 4.1061 0.0000 0.0000 62.9897 33.0434 176.4921 172 K 4.4374 8.4755 121.3854 56.7574 32.6569 175.5775 173 L 5.1855 9.2530 127.9789 53.8827 46.5814 174.6581 174 T 5.1545 9.5082 120.9242 62.0184 71.4219 172.9588 175 I 5.0797 9.4127 127.9673 59.5660 40.0126 174.8004 176 V 4.9742 9.0470 126.7005 61.0997 34.4005 174.2588 177 V 4.6049 9.1034 127.7178 61.0728 34.6980 173.9788 178 V 4.8285 8.2837 127.5655 60.9642 33.7961 173.8346 179 D 5.0687 8.7055 129.1467 54.5147 41.1604 176.3076 180 T 4.3114 9.1781 116.3520 62.7398 69.5294 174.6499 181 I 4.1593 7.6093 124.4874 59.5407 37.4883 174.1250 182 P 4.3510 0.0000 0.0000 62.1894 31.9102 177.7758 183 V 3.6543 8.4468 119.9795 65.9708 31.5228 177.9605 184 E 4.2342 8.1142 117.3801 57.8810 29.4875 177.0437 185 L 4.6987 7.3781 117.0953 54.1658 43.1102 177.4613 186 K 4.1046 7.9365 119.2473 59.7776 31.9983 179.3681 187 S 4.1798 8.1187 112.7548 60.5981 63.0581 174.4639 188 S 4.3363 7.7626 118.8979 58.1899 62.1661 173.2688 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 45 D 8.22 4.70 0.00 2.80 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 46 K 7.90 3.83 0.00 1.91 1.83 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 47 T 8.65 4.07 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 1.22 0.00 0.00 48 T 7.82 3.91 4.56 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 1.54 0.00 0.00 49 F 8.05 4.14 0.00 2.17 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 50 R 7.82 3.62 0.00 1.83 2.00 0.00 3.10 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 51 L 8.05 4.08 0.00 2.00 2.08 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.14 4.11 0.00 2.11 1.92 1.26 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.26 4.08 0.00 1.59 1.77 0.00 2.21 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.27 0.00 54 G 8.23 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 55 E 8.22 4.16 0.00 2.33 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 2.38 2.53 0.00 56 S 8.04 4.16 0.00 4.06 4.18 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 57 N 8.09 4.49 0.00 3.08 2.96 0.00 0.00 6.69 6.77 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 58 L 7.92 3.93 0.00 1.87 2.02 0.89 0.91 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 59 F 8.34 3.74 0.00 3.12 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 60 Y 8.21 4.04 0.00 2.54 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 61 T 8.00 3.68 4.45 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 1.14 0.00 0.00 62 L 7.97 4.07 0.00 1.36 1.55 0.74 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 63 A 6.97 4.84 1.09 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 0.00 0.00 64 K 9.31 4.66 0.00 1.71 1.79 0.00 1.22 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.36 7.81 65 W 8.87 5.12 0.00 3.12 3.24 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 66 E 8.78 4.66 0.00 2.06 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 2.03 2.12 0.00 67 N 9.01 3.93 0.00 2.86 2.95 0.00 0.00 7.18 8.00 0.00 0.00 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 N 8.48 4.65 0.00 3.14 3.08 0.00 0.00 6.10 7.13 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 69 K 7.00 3.53 0.00 1.78 1.33 0.00 1.55 0.00 0.00 1.50 0.00 0.00 3.21 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.15 1.31 7.81 70 L 7.26 4.31 0.00 1.31 1.33 0.99 0.92 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 71 H 9.22 5.00 0.00 3.00 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.29 4.40 1.61 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 0.32 0.00 0.00 -0.29 0.00 0.00 73 E 8.87 4.39 0.00 1.77 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 2.24 2.37 0.00 74 L 8.09 4.59 0.00 1.62 1.48 1.24 0.07 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 75 P 0.00 4.32 0.00 2.17 2.06 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 76 E 8.53 3.88 0.00 1.96 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 0.00 2.33 2.44 0.00 77 N 7.71 4.82 0.00 2.84 2.79 0.00 0.00 6.69 7.32 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 78 I 7.59 3.77 2.03 0.00 0.00 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 1.72 0.70 0.98 0.00 0.00 79 D 8.32 4.60 0.00 2.79 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 80 K 7.53 4.12 0.00 1.90 1.89 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.50 7.81 81 Q 8.09 4.25 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 82 S 7.13 4.64 0.00 3.80 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 83 P 0.00 4.80 0.00 2.32 2.25 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 84 T 6.92 5.12 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 1.28 0.00 0.00 *86 T 8.25 4.45 3.99 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 0.00 0.00 1.06 0.00 0.00 87 L 8.98 5.37 0.00 1.80 1.44 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.94 5.14 2.01 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 1.31 0.96 1.02 0.00 0.00 89 Y 9.67 5.39 0.00 2.92 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 90 D 8.62 5.16 0.00 2.91 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 91 E 9.01 3.99 0.00 2.13 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 2.32 2.32 0.00 92 N 8.67 4.63 0.00 2.91 2.92 0.00 0.00 7.06 8.37 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 93 G 8.55 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 94 Q 8.34 4.60 0.00 2.61 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.05 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 95 L 8.52 3.87 0.00 1.38 1.48 0.43 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.37 4.67 0.00 1.70 1.72 1.15 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 97 W 7.58 4.73 0.00 3.28 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 98 A 7.48 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.58 2.90 0.00 2.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 100 R 6.82 4.09 0.00 1.48 1.63 0.00 3.28 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.39 0.00 101 D 8.49 4.48 0.00 2.58 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 0.00 102 V 7.68 4.24 1.71 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 0.93 0.00 0.00 0.76 0.00 0.00 103 P 0.00 4.15 0.00 2.09 2.15 0.00 3.71 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 2.06 2.22 0.00 104 W 8.18 4.39 0.00 3.51 3.24 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 0.00 105 L 5.97 2.75 0.00 0.42 1.15 0.60 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *107 K 7.87 3.89 0.00 1.84 1.85 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.69 7.81 *109 I 7.61 3.69 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.91 0.00 0.00 110 Q 6.04 3.53 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.63 6.79 0.00 0.00 0.00 0.00 0.00 1.95 1.43 0.00 111 P 0.00 4.02 0.00 2.06 2.04 0.00 3.40 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 112 D 8.21 4.38 0.00 2.73 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 0.00 113 W 7.82 4.55 0.00 3.31 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 0.00 114 L 7.95 4.27 0.00 1.62 1.64 0.31 0.45 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 0.00 115 K 7.69 4.59 0.00 1.78 1.83 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.51 7.81 116 S 7.37 4.84 0.00 3.87 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 0.00 117 N 8.91 4.76 0.00 2.64 2.84 0.00 0.00 6.72 7.65 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 0.00 118 G 8.75 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 0.00 119 F 8.19 5.30 0.00 2.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 4.72 0.00 2.20 2.28 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.31 5.12 0.00 1.69 1.76 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 2.06 2.03 0.00 122 I 8.91 4.87 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 1.25 0.00 0.00 123 E 8.96 5.17 0.00 1.84 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 2.21 2.36 0.00 124 A 8.14 4.20 -0.42 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 0.00 125 D 7.85 4.68 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.48 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 0.99 0.00 0.00 0.89 0.00 0.00 127 N 8.07 4.29 0.00 2.91 2.83 0.00 0.00 6.93 8.06 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 0.00 128 D 7.39 4.44 0.00 2.27 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 0.00 0.00 0.00 129 T 7.92 3.97 4.37 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 1.28 0.00 0.00 130 S 8.24 4.26 0.00 4.07 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 0.00 131 L 7.93 4.44 0.00 1.97 1.82 0.97 0.64 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 0.00 132 L 7.71 4.33 0.00 2.01 1.84 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.09 4.43 0.00 1.78 1.71 1.10 0.95 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 0.00 134 S 8.29 3.57 0.00 4.05 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 0.00 *137 H 8.12 4.80 0.00 3.25 3.33 0.00 5.72 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 0.00 138 S 7.92 4.38 0.00 4.12 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 0.00 139 I 7.65 3.78 1.90 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 1.55 1.43 0.93 0.00 0.00 140 Q 7.78 3.95 0.00 2.35 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 141 Q 7.95 3.95 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 142 Q 7.99 4.18 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 143 L 8.34 3.97 0.00 1.79 1.70 0.93 0.79 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 0.00 144 Q 8.06 3.94 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 145 E 8.21 3.94 0.00 2.25 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 2.32 2.43 0.00 146 V 8.00 3.62 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 1.01 0.00 0.00 0.92 0.00 0.00 147 R 7.94 3.92 0.00 1.99 1.96 0.00 3.21 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 148 E 8.38 4.09 0.00 2.10 2.01 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 2.53 2.46 0.00 149 D 7.41 4.93 0.00 2.95 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 0.00 150 D 8.02 4.31 0.00 2.64 2.53 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 0.00 0.00 0.00 151 D 8.63 4.58 0.00 2.81 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 0.00 152 D 8.46 4.80 0.00 2.77 2.66 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 0.00 153 A 7.87 4.02 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 0.00 154 E 8.23 4.69 0.00 1.83 1.89 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 2.19 2.28 0.00 *156 T 8.16 4.38 4.22 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 1.25 0.00 0.00 157 H 9.23 5.19 0.00 3.26 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.64 4.48 0.00 3.84 3.55 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 0.00 159 V 8.07 4.84 1.89 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 1.08 0.00 0.00 0.98 0.00 0.00 160 A 9.48 5.35 1.48 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 0.00 0.00 161 V 9.05 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 1.14 0.00 0.00 1.02 0.00 0.00 162 N 9.41 5.30 0.00 2.72 2.40 0.00 0.00 6.14 7.25 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 0.00 163 V 9.07 4.35 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 0.73 0.00 0.00 0.93 0.00 0.00 164 Y 9.34 4.49 0.00 2.91 2.49 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 0.00 165 P 0.00 4.59 0.00 2.08 2.06 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 166 A 8.70 4.27 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 0.00 167 T 8.14 4.70 4.35 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 1.27 0.00 0.00 168 S 8.85 4.27 0.00 3.89 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 0.00 169 R 7.57 4.43 0.00 1.87 1.96 0.00 3.02 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 *171 P 0.00 4.11 0.00 2.00 1.69 0.00 3.48 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.07 0.00 172 K 8.48 4.44 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 173 L 9.25 5.19 0.00 1.94 1.61 1.16 0.83 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 0.00 174 T 9.51 5.15 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 175 I 9.41 5.08 2.23 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 1.25 0.94 1.01 0.00 0.00 176 V 9.05 4.97 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 1.14 0.00 0.00 1.10 0.00 0.00 177 V 9.10 4.60 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 0.89 0.00 0.00 0.93 0.00 0.00 178 V 8.28 4.83 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 0.93 0.00 0.00 179 D 8.71 5.07 0.00 2.87 2.66 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 0.00 180 T 9.18 4.31 4.35 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 1.29 0.00 0.00 181 I 7.61 4.16 1.92 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 1.36 0.88 0.94 0.00 0.00 182 P 0.00 4.35 0.00 2.11 1.83 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 183 V 8.45 3.65 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 0.96 0.00 0.00 0.94 0.00 0.00 184 E 8.11 4.23 0.00 1.96 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 2.29 2.38 0.00 185 L 7.38 4.70 0.00 1.52 1.65 0.91 1.11 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 0.00 186 K 7.94 4.10 0.00 1.85 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.60 7.81 187 S 8.12 4.18 0.00 3.86 3.96 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 0.00 188 S 7.76 4.34 0.00 3.84 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.