NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 P 4.5015 0.0000 0.0000 62.4524 33.3991 175.4450 *2 I 4.3558 8.2734 119.7376 60.7643 36.3199 171.8376 *3 V 4.6288 8.9381 126.0250 59.4190 37.2199 172.4374 *4 Q 4.4687 8.7425 123.4872 57.0123 28.4652 177.7547 *5 N 4.7496 8.7891 125.7018 50.6155 40.0116 172.1562 *6 L 4.1645 8.6390 116.5113 60.1094 40.9379 176.0379 *7 Q 4.1728 7.9662 113.0036 55.4866 27.5795 178.9590 8 G 4.0435 8.1830 109.7238 47.0080 0.0000 175.0699 *9 Q 4.3272 7.7703 122.6786 56.0984 29.7645 181.1882 *10 M 4.6267 8.7117 125.5183 55.0793 32.2193 175.9669 *11 V 4.6041 8.6535 125.2576 59.2438 36.2241 171.7166 *12 H 4.9549 8.7502 120.2180 56.6720 28.9119 175.7621 *13 Q 4.7180 9.0359 120.2268 53.4391 32.1286 175.3270 14 A 4.0856 8.7870 127.3855 52.1135 19.1840 178.4610 *15 I 3.8169 8.2516 121.5034 60.5124 36.3837 177.1424 *16 S 4.5114 8.6065 126.0957 59.7571 63.9235 174.0887 *17 P 4.6642 0.0000 0.0000 66.6954 30.6443 177.3530 *18 R 4.2714 8.0930 120.5274 62.7366 29.3540 184.3788 *19 T 4.1445 7.9381 117.2211 66.4046 68.6553 179.0234 *20 L 4.2479 7.9957 128.1803 60.1913 40.8970 181.6579 *21 N 4.6883 8.7593 120.5992 57.0533 37.4744 179.0040 22 A 4.2275 8.0447 124.5231 55.7104 18.3918 180.3402 *23 W 4.0357 8.7100 124.2602 62.2420 28.2201 181.1990 *24 V 3.8980 8.5121 123.2512 66.3531 31.1098 180.7542 *25 K 4.1695 8.2881 127.4066 60.5898 31.3886 181.6652 *26 V 3.9021 7.8452 122.7994 66.5808 31.7430 181.4777 *27 V 3.9162 7.7158 122.9960 66.4197 31.1996 180.6961 *28 E 4.3694 8.5079 120.2025 60.6076 29.5794 181.2202 *29 E 4.7203 7.8309 117.4442 60.7335 31.0115 182.9187 *30 K 4.4151 8.2502 122.8967 55.3242 32.3581 179.2758 31 A 3.8427 8.3575 122.5851 55.3529 17.9749 181.1147 *32 F 4.7379 8.6472 110.9979 57.8648 38.3432 174.1725 *33 S 4.7322 8.1917 124.5083 56.3928 64.2300 175.6199 *34 P 4.2544 0.0000 0.0000 66.9051 30.4338 179.9120 *35 E 4.2973 8.2705 118.2862 60.7728 29.6932 182.7022 *36 V 4.0819 8.5482 121.0705 66.9653 31.7195 184.7003 *37 I 3.9893 7.6116 121.6013 65.8506 35.3815 181.5991 *38 P 4.6257 0.0000 0.0000 67.4182 30.6449 181.1087 *39 M 4.3172 7.8169 119.8770 60.7856 31.1271 182.8963 *40 F 4.3616 8.0292 123.1035 62.4969 38.3805 179.9502 *41 S 4.4838 8.0354 118.4149 63.1465 61.8923 178.5503 42 A 4.2820 8.0723 126.2844 55.5044 18.2802 180.0416 *43 L 4.3089 8.5121 121.6473 58.6128 41.2744 180.2755 *44 S 4.9515 7.7557 116.2861 58.8073 63.5282 179.8592 *45 E 4.2784 8.3333 118.1782 58.0364 29.9967 179.9868 46 G 3.9263 9.0480 110.9494 44.7901 0.0000 173.1388 47 A 4.3159 7.9986 125.4468 52.6807 19.0047 179.0310 *48 T 4.5399 8.2870 118.9660 61.9107 71.0864 175.0137 *49 P 4.5301 0.0000 0.0000 69.5535 30.5254 178.0065 *50 Q 4.2906 8.2162 122.5867 60.8573 28.1575 180.7740 *51 D 4.6469 8.2478 125.3347 58.8731 39.8465 180.9767 *52 L 4.3115 8.4286 126.6265 59.9842 40.8173 181.8058 *53 N 4.6440 8.4863 122.8784 58.3251 37.3587 179.9189 *54 T 4.0357 8.0879 118.6982 66.7422 68.5894 178.5767 *55 M 4.5058 8.0049 124.5954 60.4017 31.3873 181.9146 *56 L 4.3287 8.1692 126.2906 59.7139 40.8832 180.9916 *57 N 4.8642 8.7492 120.2829 56.9347 37.7608 179.9848 *58 T 4.6845 7.5565 115.7445 63.7983 69.0425 181.4041 *59 V 3.9308 7.1086 118.5786 61.5455 31.9206 181.7595 60 G 3.9255 8.5738 114.6255 44.5310 0.0000 175.1426 61 G 3.6653 8.5574 111.9617 47.0379 0.0000 172.8313 *62 H 3.9947 8.7722 112.5267 56.1156 25.5366 172.8226 *63 Q 4.1033 7.8198 124.0008 60.4440 28.4468 179.5452 64 A 4.2289 7.9569 121.3687 54.9227 18.5117 179.5210 65 A 3.9879 8.0221 121.3597 56.2548 18.5910 180.1059 *66 M 4.0694 8.3214 121.4100 60.7522 31.3374 181.2450 *67 Q 4.3549 8.2066 123.2215 60.9648 28.3890 181.5947 *68 M 4.4064 8.3433 124.5450 60.0652 31.3756 181.7825 *69 L 4.2486 8.2841 125.6655 60.0246 41.1609 182.3149 *70 K 4.1904 8.5318 128.0307 60.5180 31.4822 181.3948 *71 E 4.3648 8.4636 121.9761 61.6938 29.5130 181.9348 *72 T 4.1535 8.0520 117.3458 66.5250 68.5064 179.7413 *73 I 3.9777 7.8832 125.8239 65.9326 35.5337 180.5921 *74 N 4.7156 8.7587 124.1927 57.7432 37.3201 179.6595 *75 E 4.3121 8.5781 122.2184 61.8836 29.7943 183.1747 *76 E 4.2031 8.6613 119.2468 60.8004 29.7714 181.4262 77 A 4.1694 8.4564 121.6560 55.2062 18.5012 179.6944 78 A 4.0466 8.2861 121.7508 55.8084 18.3241 180.3681 *79 E 4.0277 8.5581 119.5289 61.4668 29.8331 182.3071 *80 W 4.3064 8.2695 126.4316 62.2857 28.1354 180.6127 *81 D 4.6856 7.9981 123.2790 58.8737 39.2170 181.2170 *82 R 4.3708 7.9887 123.3873 61.9432 29.6151 181.1641 *83 L 4.7209 8.1485 122.9018 57.3224 42.2869 179.4067 *84 H 4.9949 7.6811 116.4786 52.7275 28.4182 177.4407 *85 P 4.4549 0.0000 0.0000 62.0898 31.6097 177.8561 *86 V 3.8415 8.3337 120.8270 61.3303 32.2701 175.9417 *87 H 4.7994 8.5326 120.4519 51.8595 29.5371 173.1763 88 A 4.2747 8.3032 128.0361 50.4585 19.2952 175.5849 89 G 3.9700 8.7022 108.0307 44.1944 0.0000 172.9462 *90 P 4.3907 0.0000 0.0000 62.3393 31.4108 176.6584 *91 I 4.2814 8.0489 118.2387 58.3300 36.7440 176.3856 92 A 4.3260 8.4336 130.7654 50.4973 19.2398 175.4265 *93 P 4.5859 0.0000 0.0000 63.4183 31.2886 178.3333 94 G 3.9638 9.2589 113.4388 45.1269 0.0000 173.2999 *95 Q 4.7100 7.7574 119.1520 53.9374 31.3974 180.4333 *96 M 4.9275 8.1533 114.7201 54.2435 35.3885 174.2576 *97 R 4.0007 8.7133 119.5316 57.6081 30.0019 177.9308 *98 E 4.2350 8.6699 119.0739 55.2507 30.4309 175.9203 *99 P 4.4085 0.0000 0.0000 61.7702 31.7113 174.6914 *100 R 4.6657 8.2831 123.9256 56.0668 32.4496 176.5595 101 G 3.9789 8.6454 105.5069 50.3023 0.0000 176.5580 *102 S 4.2621 8.2651 123.1994 63.8107 62.2005 178.6553 *103 D 4.6689 8.0609 126.3299 58.7557 39.4464 181.3822 *104 I 3.8877 7.5276 120.3559 65.1258 35.6454 180.1423 105 A 4.4071 7.7551 120.3709 52.7776 18.2719 178.4990 106 G 3.8698 7.9396 107.9002 46.2985 0.0000 175.5877 *107 T 4.0178 8.0475 115.3735 63.9970 68.5257 180.9189 *108 T 4.5133 7.9643 113.0639 60.8080 69.5011 176.5140 *109 S 4.8710 7.8323 119.3883 57.9983 65.1583 180.4509 *110 T 4.4448 8.2466 121.2626 62.2272 70.5951 175.7556 *111 L 4.2570 8.5843 126.8746 61.1853 40.7775 181.4430 *112 Q 4.2888 8.1932 123.6687 60.6919 28.0975 180.6786 *113 E 4.2461 8.3601 122.6041 61.7019 29.7124 181.4567 *114 Q 4.2889 8.2035 124.2414 60.9175 28.1319 181.5013 *115 I 4.1186 7.9171 122.5721 64.6698 35.5101 180.1932 116 G 3.9191 8.6036 110.1796 48.1708 0.0000 176.5730 *117 W 4.0628 8.2186 127.5438 62.1914 28.2468 181.4000 *118 M 4.2390 8.2196 122.4490 59.1778 30.9170 180.0051 *119 T 4.7937 7.8344 112.9685 63.2109 69.8586 179.6137 *120 H 4.5999 7.6770 119.3041 55.7821 28.7692 180.5893 *121 N 4.9116 8.3832 116.6963 51.4831 39.0047 172.6195 *122 P 4.4931 0.0000 0.0000 60.9665 31.6229 172.7095 *123 P 4.5613 0.0000 0.0000 62.2064 31.5877 176.8235 *124 I 4.4459 8.7506 118.7854 59.1976 37.4995 177.0268 *125 P 4.7770 0.0000 0.0000 62.6019 27.8447 173.8996 *126 V 4.0062 7.7858 124.7902 65.7878 31.9434 178.9050 127 G 4.0773 8.0694 108.9759 47.9222 0.0000 176.2921 *128 E 4.0768 8.2290 122.7154 61.5319 29.8416 182.0038 *129 I 4.1082 7.9498 123.5367 65.7242 35.5218 180.7196 *130 Y 4.2949 8.4808 125.4158 62.4065 36.6941 181.3324 *131 K 4.2819 8.5541 127.9956 60.1231 31.7959 182.3398 *132 R 4.2239 8.2142 124.0394 62.1022 29.2856 182.0078 *133 W 4.2919 8.1565 126.3343 61.9244 28.2274 180.8826 *134 I 4.0481 8.2910 123.8486 65.6116 34.8117 181.1190 *135 I 4.1230 8.0900 123.9553 65.5241 35.1345 181.4853 *136 L 4.3157 8.1560 123.9602 59.2746 40.7241 182.0979 137 G 3.9054 8.1445 109.0904 48.3136 0.0000 176.2500 *138 L 4.0913 8.4499 128.0914 59.8480 40.6354 181.2267 *139 N 4.5496 8.2039 121.8568 58.3350 37.3484 179.5145 *140 K 4.4447 7.8695 128.5567 60.0893 31.7533 181.8108 *141 I 4.1033 7.9704 123.3661 65.6271 35.5814 181.9051 *142 V 4.0736 8.3492 123.6408 66.3317 31.1013 180.9407 *143 R 4.5974 7.5489 118.4925 60.3361 29.0932 182.0622 *144 M 4.5952 8.3576 124.4294 59.6204 32.1333 181.5765 *145 Y 4.4889 7.5300 115.7862 57.7444 37.8531 179.1994 *146 S 4.9026 7.8997 115.1839 56.9406 66.0285 177.1781 *147 P 5.0737 0.0000 0.0000 62.7875 33.5604 173.5133 *148 T 4.6245 8.4154 116.0304 61.4766 69.2200 175.9506 *149 S 4.7021 7.7202 122.9021 56.9607 63.3393 177.3459 *150 I 3.8546 8.0982 127.7914 62.7537 35.7818 178.8047 *151 L 4.0151 8.0849 121.2448 57.5340 40.7082 181.2412 *152 D 4.6515 7.8791 116.0283 54.4028 39.9034 182.8008 *153 I 4.2547 7.8298 120.8273 60.1629 34.5241 180.2911 *154 R 4.8848 8.1031 128.5896 54.6337 32.4901 174.4672 *155 Q 4.1944 9.0487 123.8258 54.9269 28.7657 176.2190 156 G 3.7919 8.8630 113.3711 45.3403 0.0000 173.2979 *157 P 4.4033 0.0000 0.0000 64.9807 30.7787 178.8514 *158 K 4.7024 7.8955 119.9228 54.5715 33.1570 178.3690 *159 E 4.3447 7.9141 118.8213 55.9748 30.7287 179.2521 *160 P 4.5621 0.0000 0.0000 63.7969 32.7185 175.7691 *161 F 4.3091 8.9604 126.2246 62.0982 37.9119 176.9545 *162 R 4.2186 8.1493 122.4772 62.4239 29.3262 181.6647 *163 D 4.6826 8.1894 124.1137 58.9550 39.7322 180.4698 *164 Y 4.3070 7.9804 124.0648 62.5228 36.8017 181.9689 *165 V 3.9142 8.0554 123.3321 66.7702 31.8091 181.3396 *166 D 4.6908 8.1290 124.3068 58.9293 39.2134 181.2530 *167 R 4.3685 8.1468 123.3546 61.1915 29.2417 182.0800 *168 F 4.2314 7.8148 121.6992 63.3372 38.3978 182.9449 *169 Y 4.3768 8.0743 123.7274 61.6651 36.7547 180.4904 *170 K 4.3675 8.2049 125.8260 60.8933 31.6866 184.7458 *171 T 4.4414 7.6558 116.3596 66.3689 68.3943 181.3765 *172 L 4.3226 7.8096 126.6949 60.0737 40.7624 183.4027 *173 R 4.0945 7.9668 120.8767 61.3939 29.1971 180.6408 174 A 4.2996 7.4269 121.6171 55.7055 18.3614 179.3354 *175 E 4.3773 7.9078 115.5389 57.4032 30.9576 179.0614 *176 Q 3.4638 8.8172 117.3674 56.8788 25.8252 178.5786 177 A 4.1623 8.3631 124.9134 52.5573 19.6676 179.7046 *178 S 4.5147 8.5917 124.9149 60.4882 64.4365 173.4239 *179 Q 4.3592 8.6625 123.6054 61.9751 27.2259 178.6101 *180 E 4.2815 8.2427 120.9991 61.9750 29.7856 183.7287 *181 V 3.9349 7.8572 122.7382 66.4491 31.7984 180.7875 *182 K 4.1858 8.1770 127.1510 60.3787 31.2726 181.3730 *183 N 4.5766 7.9926 119.4512 57.4899 37.4999 180.1898 184 A 4.2089 7.8006 122.1713 54.9086 18.4169 179.6695 185 A 4.0513 8.4791 122.1077 56.0046 18.7231 180.7148 *186 T 3.8959 8.2180 115.6628 66.9321 68.4026 179.9775 *187 E 4.3733 8.0761 122.3607 61.0557 29.9146 178.8503 *188 T 4.5609 8.0200 109.4135 61.9743 72.3072 181.1044 *189 L 4.1199 8.4557 125.2969 60.4876 41.2372 182.0084 *190 L 4.2738 8.0756 124.7065 60.0089 40.9451 182.1595 *191 V 4.0604 7.3198 122.2299 66.6232 31.4329 180.9528 *192 Q 4.3598 8.2664 123.2279 60.3423 28.1843 179.7519 *193 N 5.0180 8.6371 120.2237 53.6472 37.8919 176.7050 194 A 4.9229 6.9607 126.4939 52.1792 20.8504 179.1306 *195 N 4.6778 8.5264 121.9684 54.0240 39.5461 175.8278 *196 P 4.4959 0.0000 0.0000 68.9717 30.8938 180.1829 *197 D 4.6615 8.1812 122.9451 58.9710 39.7888 181.4708 *198 C 4.5962 8.2442 122.8527 60.6217 41.0335 178.2661 *199 K 3.9193 8.6296 129.4890 60.5289 31.1482 181.7586 *200 T 4.2544 7.8522 117.0171 66.5489 68.4581 180.7989 *201 I 3.9760 7.7117 125.2790 65.5858 35.3658 180.7530 *202 L 4.2773 8.4928 126.0798 60.0052 40.5662 181.9383 *203 K 4.3123 8.2330 124.5144 59.3989 31.3094 180.8546 204 A 4.1146 7.9623 122.4686 55.7563 18.4090 180.0585 *205 L 4.0462 7.7504 120.2109 57.1517 41.2178 181.3213 206 G 4.1990 7.1698 104.3367 45.9864 0.0000 172.1350 *207 P 4.2928 0.0000 0.0000 62.7872 31.1761 177.0133 208 G 4.2349 8.9919 113.0664 44.7383 0.0000 173.2547 209 A 4.4554 7.8890 123.7810 51.4899 20.4560 179.4742 *210 T 4.3942 8.1925 118.2689 62.7531 70.9682 177.3365 *211 L 4.3259 8.4932 125.0852 61.3792 40.5726 180.0073 *212 E 4.3725 8.2617 120.1412 61.4371 29.7778 182.3754 *213 E 4.3236 8.1407 119.6691 61.9842 29.4873 183.6161 *214 M 4.3558 8.1662 123.4158 60.7312 31.2852 181.7476 *215 M 4.3981 7.9075 122.9142 60.2687 31.5118 180.9781 *216 T 4.2684 7.4720 113.4882 66.0751 68.8542 179.5908 217 A 4.4990 8.1658 124.7254 54.4085 18.3985 177.5835 *218 C 5.0016 7.7110 115.7767 55.2491 41.5714 180.0531 *219 Q 4.2647 8.2885 124.7951 56.1173 27.7433 178.6355 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 *1 P 0.00 4.50 0.00 1.78 2.00 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.61 0.00 *2 I 8.27 4.36 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.03 0.91 0.00 0.00 *3 V 8.94 4.63 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 0.64 0.00 0.00 0.93 0.00 0.00 *4 Q 8.74 4.47 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.91 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *5 N 8.79 4.75 0.00 2.74 2.67 0.00 0.00 6.99 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *6 L 8.64 4.16 0.00 1.56 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *7 Q 7.97 4.17 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 8 G 8.18 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 *9 Q 7.77 4.33 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.03 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 *10 M 8.71 4.63 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.11 0.00 *11 V 8.65 4.60 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 0.66 0.00 0.00 0.93 0.00 0.00 *12 H 8.75 4.95 0.00 2.69 2.87 0.00 7.12 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 Q 9.04 4.72 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 14 A 8.79 4.09 1.25 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 0.00 0.00 0.00 *15 I 8.25 3.82 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.91 0.00 0.00 *16 S 8.61 4.51 0.00 3.73 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 *17 P 0.00 4.66 0.00 2.07 2.09 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 *18 R 8.09 4.27 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *19 T 7.94 4.14 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 *20 L 8.00 4.25 0.00 1.66 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *21 N 8.76 4.69 0.00 2.67 2.86 0.00 0.00 7.01 7.16 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 22 A 8.04 4.23 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 *23 W 8.71 4.04 0.00 2.46 2.31 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 0.00 *24 V 8.51 3.90 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 0.71 0.00 0.00 0.93 0.00 0.00 *25 K 8.29 4.17 0.00 1.75 1.89 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 1.16 1.23 0.91 0.00 0.00 *125 P 0.00 4.78 0.00 2.07 1.99 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 *126 V 7.79 4.01 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 0.77 0.00 0.00 0.93 0.00 0.00 127 G 8.07 4.08 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 *128 E 8.23 4.08 0.00 1.99 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 2.31 1.94 0.00 *129 I 7.95 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 *130 Y 8.48 4.29 0.00 2.28 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 0.00 0.00 0.00 0.00 *131 K 8.55 4.28 0.00 1.75 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *132 R 8.21 4.22 0.00 1.82 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 *133 W 8.16 4.29 0.00 2.52 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 0.00 0.00 0.00 0.00 *134 I 8.29 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 *135 I 8.09 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 *136 L 8.16 4.32 0.00 1.66 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.14 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 0.00 0.00 0.00 *138 L 8.45 4.09 0.00 1.62 1.70 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *139 N 8.20 4.55 0.00 2.81 2.79 0.00 0.00 7.01 7.07 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 *140 K 7.87 4.44 0.00 1.73 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *141 I 7.97 4.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 *142 V 8.35 4.07 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 0.71 0.00 0.00 0.93 0.00 0.00 *143 R 7.55 4.60 0.00 1.92 1.84 0.00 3.22 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 *144 M 8.36 4.60 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 *145 Y 7.53 4.49 0.00 2.39 2.22 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 *146 S 7.90 4.90 0.00 3.58 3.65 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 *147 P 0.00 5.07 0.00 2.04 1.80 0.00 3.70 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 1.81 1.53 0.00 *148 T 8.42 4.62 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 *149 S 7.72 4.70 0.00 3.60 3.74 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 *150 I 8.10 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.54 0.91 0.00 0.00 *151 L 8.08 4.02 0.00 1.66 1.63 0.92 0.89 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 *152 D 7.88 4.65 0.00 2.72 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 *153 I 7.83 4.25 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.91 0.00 0.00 *154 R 8.10 4.88 0.00 1.55 1.69 0.00 3.23 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 *155 Q 9.05 4.19 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 156 G 8.86 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 *157 P 0.00 4.40 0.00 2.10 1.99 0.00 3.69 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 1.94 1.60 0.00 *158 K 7.90 4.70 0.00 1.71 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *159 E 7.91 4.34 0.00 1.94 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 2.25 2.12 0.00 *160 P 0.00 4.56 0.00 2.07 1.96 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 *161 F 8.96 4.31 0.00 2.27 2.35 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 *162 R 8.15 4.22 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 *163 D 8.19 4.68 0.00 2.68 2.70 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 *164 Y 7.98 4.31 0.00 2.35 2.34 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 *165 V 8.06 3.91 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 0.71 0.00 0.00 0.93 0.00 0.00 *166 D 8.13 4.69 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *167 R 8.15 4.37 0.00 1.85 1.96 0.00 3.23 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *168 F 7.81 4.23 0.00 2.23 2.31 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 0.00 *169 Y 8.07 4.38 0.00 2.33 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 0.00 0.00 0.00 0.00 *170 K 8.20 4.37 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *171 T 7.66 4.44 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 *172 L 7.81 4.32 0.00 1.59 1.70 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *173 R 7.97 4.09 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 174 A 7.43 4.30 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 *175 E 7.91 4.38 0.00 2.05 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 2.23 2.18 0.00 *176 Q 8.82 3.46 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 177 A 8.36 4.16 1.24 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 0.00 0.00 *178 S 8.59 4.51 0.00 3.75 3.78 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 *179 Q 8.66 4.36 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.89 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 *180 E 8.24 4.28 0.00 1.97 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 2.31 1.94 0.00 *181 V 7.86 3.93 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 0.75 0.00 0.00 0.93 0.00 0.00 *182 K 8.18 4.19 0.00 1.78 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *183 N 7.99 4.58 0.00 2.70 2.85 0.00 0.00 6.86 7.29 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 0.00 184 A 7.80 4.21 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 0.00 185 A 8.48 4.05 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 *186 T 8.22 3.90 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 *187 E 8.08 4.37 0.00 2.02 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 2.26 2.19 0.00 *188 T 8.02 4.56 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 *189 L 8.46 4.12 0.00 1.64 1.73 0.92 0.50 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 *190 L 8.08 4.27 0.00 1.73 1.62 0.92 1.19 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 *191 V 7.32 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 *192 Q 8.27 4.36 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.49 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *193 N 8.64 5.02 0.00 2.67 2.80 0.00 0.00 6.87 7.75 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 0.00 194 A 6.96 4.92 1.23 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 *195 N 8.53 4.68 0.00 2.74 2.71 0.00 0.00 6.64 7.76 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 *196 P 0.00 4.50 0.00 2.06 2.13 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.70 0.00 *197 D 8.18 4.66 0.00 2.68 2.70 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 *198 C 8.24 4.60 0.00 2.83 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 *199 K 8.63 3.92 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *200 T 7.85 4.25 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 *201 I 7.71 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 *202 L 8.49 4.28 0.00 1.70 1.62 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *203 K 8.23 4.31 0.00 1.77 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 204 A 7.96 4.11 1.31 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 0.00 0.00 0.00 *205 L 7.75 4.05 0.00 1.77 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 206 G 7.17 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 *207 P 0.00 4.29 0.00 2.10 1.86 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 208 G 8.99 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 0.00 209 A 7.89 4.46 1.24 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 0.00 0.00 *210 T 8.19 4.39 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 *211 L 8.49 4.33 0.00 1.64 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *212 E 8.26 4.37 0.00 1.97 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 2.31 1.94 0.00 *213 E 8.14 4.32 0.00 1.97 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 2.31 1.94 0.00 *214 M 8.17 4.36 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 *215 M 7.91 4.40 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 *216 T 7.47 4.27 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 0.00 217 A 8.17 4.50 1.31 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 0.00 0.00 0.00 *218 C 7.71 5.00 0.00 2.71 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 *219 Q 8.29 4.26 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.62 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.