NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9978 8.3544 109.7395 45.8288 0.0000 172.3559 2 H 4.7356 8.5160 118.3244 54.1574 34.6509 171.2411 3 N 4.4914 9.5868 126.9044 53.8259 36.6866 176.4853 4 K 4.6829 9.0894 121.6887 53.1473 35.5593 178.1055 5 K 3.9826 8.5939 117.3041 56.3841 31.6214 173.4784 6 F 4.1378 8.7667 126.2496 58.0607 39.6488 174.3086 7 D 4.0481 6.4595 119.2137 53.4691 43.0808 176.4672 8 R 3.6741 8.2074 128.8121 59.1023 30.8108 178.6176 9 S 4.0695 8.1932 112.5275 61.0809 63.0621 175.8039 10 E 3.8130 7.2808 120.9813 58.8082 29.2012 177.0872 11 H 4.6318 8.1675 113.1602 55.3036 29.5495 174.4714 12 V 4.1112 7.5405 120.7175 61.4169 32.1964 174.1662 13 Y 4.4841 8.6984 130.9165 56.5740 39.6637 175.2554 14 R 4.3933 7.8943 124.9353 54.1887 32.8281 170.9172 15 N 4.6864 8.2455 120.7169 49.9647 40.6129 174.2287 16 D 4.4297 8.7072 127.3517 57.1404 41.0328 178.4824 17 S 4.3304 8.0696 113.7208 60.3402 63.1653 175.8385 18 F 4.3354 8.5326 125.4218 61.4425 39.0818 176.8066 19 L 3.7608 7.8480 118.1816 57.7095 41.4507 179.3417 20 E 3.9983 7.9743 118.2297 59.1571 29.4943 179.2736 21 L 4.0027 7.7067 118.7371 57.5290 41.7060 178.9833 22 I 3.7115 7.3705 118.5113 63.2382 37.9178 177.3835 23 K 3.7366 7.8631 120.7086 59.8754 31.8551 178.1177 24 D 4.3579 8.0027 117.5052 57.0461 41.0603 178.1266 25 A 4.0509 7.9802 121.2464 55.3173 18.4802 179.8093 26 V 3.6725 8.0736 116.9309 66.0293 31.2969 178.2166 27 R 3.9444 7.9439 117.8984 59.3141 30.3972 178.0396 28 F 4.1607 8.3300 120.4208 61.1924 39.4225 176.4320 29 F 4.0140 8.6992 120.5529 61.8653 38.9976 177.3793 30 S 4.3891 8.3434 112.9285 60.4970 62.6668 175.9010 31 G 3.8606 7.2716 106.0962 43.4843 0.0000 173.7021 32 T 3.7501 6.8070 111.0983 60.0280 69.5612 172.9868 33 P 4.0865 0.0000 0.0000 62.6700 31.9522 175.8235 34 V 4.1379 7.8087 121.2264 61.7499 32.6428 174.6510 35 H 5.1197 8.6317 124.8120 53.5102 32.2876 173.9649 36 S 4.6128 8.7052 115.5107 58.5325 64.1989 173.0487 37 L 4.6024 8.3978 121.7468 52.5461 42.5710 174.0706 38 P 4.6686 0.0000 0.0000 61.0566 32.5230 174.1757 39 P 4.5953 0.0000 0.0000 61.9134 31.8289 175.0561 40 P 4.3852 0.0000 0.0000 65.0511 31.3800 176.4196 41 E 4.7828 7.8322 114.3354 54.2912 32.7550 175.4164 42 R 4.3240 8.1604 119.4268 55.6332 31.4462 176.0278 43 F 4.7270 7.2182 110.8525 56.4359 39.8088 173.9065 44 Q 4.2087 8.8040 121.9302 55.7197 30.0072 174.4856 45 G 4.2281 7.9046 105.4757 43.8240 0.0000 172.8711 46 A 5.2606 9.1158 121.7135 49.7026 23.0739 177.2190 47 G 4.6255 7.0410 108.3763 46.8225 0.0000 173.2362 48 V 5.2243 8.7976 124.6658 61.2965 35.3012 173.9007 49 F 5.9282 8.6087 118.2576 56.1902 42.0405 172.6531 50 A 4.9265 9.9299 120.3481 50.4577 22.7391 175.0177 51 L 5.2211 8.8668 121.7613 53.4760 44.1923 175.3620 52 Y 4.8575 9.7288 121.3209 56.2409 41.5774 173.9535 53 Y 4.7130 8.2217 122.6245 55.8297 41.3271 174.9980 54 T 4.2958 7.7664 114.2131 61.1585 70.2856 175.2066 55 G 3.3342 5.3800 110.9886 45.6530 0.0000 173.8179 56 H 5.1709 8.6205 118.3242 55.2905 30.5024 172.8466 57 Y 4.2398 8.7081 122.2007 58.1846 39.2189 176.7263 58 S 3.9621 8.2093 122.1921 61.6689 62.8228 176.7169 59 L 3.9074 6.8106 120.3017 56.4763 41.6224 177.7472 60 Y 5.1682 8.4738 114.8830 57.8452 38.5589 176.8654 61 D 4.4482 8.1214 122.1775 57.6389 41.0725 177.9698 62 E 3.6984 7.8573 118.4477 59.8277 29.0797 179.0654 63 Y 4.2467 7.8858 116.7666 61.1092 37.7966 178.5681 64 S 3.5009 7.7477 113.9019 61.1577 63.0841 176.6998 65 R 4.0811 7.7316 121.4085 59.0544 29.9860 178.3808 66 I 3.7393 7.8016 118.4091 64.5002 37.1027 176.9901 67 N 5.3747 8.8860 115.6822 52.6946 38.5576 176.7973 68 R 3.7286 7.5716 120.8007 59.2350 29.9351 177.5309 69 K 4.2279 7.7167 113.1685 56.9533 33.6035 175.8104 70 A 4.3287 6.9947 119.7738 51.3574 22.3522 175.3765 71 Y 4.6011 7.8458 118.5990 57.2047 35.9579 175.5090 72 N 4.4975 7.8430 120.0970 54.4688 39.8038 175.1251 73 L 4.5929 7.7972 123.0021 52.6586 42.8073 174.7447 74 P 3.7962 0.0000 0.0000 62.6907 32.0526 175.8385 75 I 3.9780 7.8127 119.3303 61.7394 39.5098 174.3487 76 Y 4.9973 7.0387 120.7961 56.8218 42.0735 173.1085 77 V 4.2163 7.0549 124.6789 61.3254 35.0140 174.4508 78 G 4.2833 7.0366 112.8464 45.7918 0.0000 170.9971 79 K 5.2658 8.4868 117.6234 56.1618 35.9692 175.3889 80 A 4.6228 9.3760 122.2031 50.5236 21.8342 176.3582 81 V 3.8116 8.5273 122.4466 62.0246 32.4986 174.0730 82 P 4.4330 0.0000 0.0000 63.3023 33.7119 180.3947 83 A 3.3813 9.3550 119.0824 51.8825 19.6955 179.0853 84 G 3.4636 8.3102 107.4846 49.0086 0.0000 174.5840 85 W 4.3354 6.5553 123.4771 57.7135 29.7357 176.8905 86 R 3.7872 6.7224 119.8527 56.7253 27.7932 178.0410 87 Q 4.5393 8.6575 126.9827 54.6550 27.4368 175.9115 88 S 4.3103 8.4929 122.6493 57.5915 63.1417 174.7093 89 R 4.2575 8.3283 121.6225 57.5355 29.8462 177.2492 *90 I 4.9212 7.6518 112.1925 59.2015 40.1596 176.0388 91 S 4.6157 8.4540 118.6514 59.6577 62.4721 176.1189 92 D 4.5033 9.0276 124.1042 57.3911 40.0036 174.1678 *93 H 4.9892 7.7838 115.2833 52.0878 31.4302 175.9486 94 E 3.9533 9.0633 126.9329 58.0062 29.6071 176.7453 95 T 3.9353 7.4348 112.9744 62.8410 68.1191 180.7384 96 R 4.6897 8.0773 129.3858 54.0747 30.4970 172.4491 97 A 4.3342 8.2831 123.6205 52.0974 19.2153 177.8305 98 G 4.2775 8.4824 112.7820 44.0209 0.0000 171.9682 99 S 4.8592 7.9807 108.9589 56.2793 62.6713 174.6474 100 E 3.9816 7.8919 122.2108 59.6633 30.0544 178.9375 101 L 3.9003 7.8460 121.1642 57.9770 42.3904 178.4659 102 S 3.3854 7.5284 112.5282 61.3391 61.9922 175.5925 103 N 4.1102 7.6534 118.5939 56.4648 38.4140 177.2608 104 R 3.7659 8.0628 120.0279 59.4059 30.0917 178.3575 105 I 3.3147 7.6165 119.6778 64.5047 37.0655 178.4836 106 R 3.9323 7.7951 120.7046 59.8398 29.8883 179.2957 107 E 3.8821 8.1047 118.0618 61.7811 29.6273 180.9770 108 H 4.4135 7.8944 117.1674 58.3875 28.7239 177.9326 109 G 3.7356 8.0626 107.5815 48.0573 0.0000 175.5604 110 R 3.9538 8.0908 121.2061 59.1210 29.9642 178.9167 111 N 4.3880 7.8492 114.3428 56.4994 38.7372 177.2585 112 I 4.1131 7.8210 120.6050 64.1872 36.9486 178.2482 113 A 4.0864 7.9544 121.0827 55.0359 18.4907 179.5274 114 K 4.1336 8.3402 116.7714 58.0524 32.0262 177.6922 115 T 4.3450 7.0805 109.4283 61.3947 69.4074 174.4757 116 S 4.4569 8.1377 116.5248 59.1949 63.8010 174.7621 117 N 4.7996 7.9650 115.7880 52.3260 38.1855 174.3385 118 L 4.8354 7.3291 118.5060 52.9417 44.3201 175.1813 119 D 4.9911 8.7354 120.9979 52.1175 43.1719 176.2187 120 L 4.2580 8.9308 129.1137 58.5854 42.1698 178.5842 121 C 4.3866 8.0838 114.8014 62.6079 28.2483 174.2387 122 D 4.5748 8.9251 118.6489 54.5454 40.6633 175.3507 123 F 5.4521 8.6019 118.8285 55.9250 41.4904 174.9509 124 S 5.1575 9.3344 117.5624 57.0342 67.7228 172.4697 125 C 5.5774 9.4531 115.1004 57.0820 33.4450 173.1270 126 R 5.1290 9.2669 118.6470 54.5696 33.2796 174.7717 127 F 5.7454 7.9244 115.4498 55.6549 41.4110 173.6043 128 V 4.5835 9.3767 119.6300 61.3595 34.8502 174.0738 129 I 5.1479 8.5470 127.4926 60.0746 38.8704 175.0155 130 F 4.6712 9.1957 126.1612 55.5165 40.1727 175.8577 131 E 4.1481 8.9767 123.4869 55.7400 30.0876 176.2864 132 A 4.1043 8.3120 122.4846 54.1482 18.8282 178.7628 133 T 3.6294 8.7769 116.7685 63.9345 67.4930 173.2390 134 G 4.0287 8.4286 109.8149 46.2509 0.0000 175.9765 135 S 4.0921 8.3022 115.0811 61.5557 63.0359 176.0724 136 D 4.2438 8.3281 119.5300 57.7052 40.7813 178.7660 137 M 4.0608 8.1395 118.1136 57.9103 31.6691 178.5814 138 I 2.7178 7.3261 120.6452 64.4085 37.2723 177.7920 139 S 3.8919 7.8224 112.9565 61.8221 61.9378 175.9675 140 T 3.9949 7.7230 115.0480 64.3227 67.2248 176.7173 141 V 3.5428 7.5937 119.7779 65.9531 31.6176 177.0820 142 E 3.7046 8.1101 118.7847 59.5352 29.4847 178.8210 143 A 3.9264 7.9425 120.1854 54.8937 18.3601 179.3250 144 A 3.9234 8.4527 119.7079 55.4549 18.3998 179.8421 145 L 4.0176 8.0268 117.5211 58.1280 41.6687 179.9358 146 I 3.6855 7.7973 119.7224 64.1257 36.7525 178.3924 147 K 4.0136 7.6750 119.5737 59.1017 32.0681 178.8938 148 I 3.6917 7.8814 120.0058 64.1433 37.1871 177.2012 149 Y 4.4807 8.0643 114.5586 56.6128 39.9428 175.8444 150 K 3.9378 8.0139 118.2044 56.9825 30.2356 172.7479 151 P 4.5993 0.0000 0.0000 61.8659 32.9457 178.0581 152 L 3.4080 8.4063 122.3362 58.1296 42.0006 178.6765 153 W 5.2336 8.5125 115.3641 57.5382 29.0486 176.3809 154 N 5.0741 8.2180 116.3880 53.5224 39.6198 175.7065 155 T 4.6358 7.8848 104.9621 60.8961 70.8495 174.3917 156 V 4.1683 8.3426 119.6238 63.8989 33.7758 176.2938 157 V 4.4165 7.5670 118.0810 60.8139 30.5106 174.5146 158 D 4.6097 7.8825 123.0567 55.5895 42.0512 177.5325 159 G 4.0875 9.2133 109.0867 47.1145 0.0000 176.1294 160 F 2.8477 8.1180 121.4948 60.7928 39.1233 175.9173 161 G 3.8167 7.8519 105.7947 45.7941 0.0000 173.0871 162 N 4.3443 8.0368 119.5854 53.4449 38.9512 174.6296 163 H 4.4184 8.3612 120.2323 54.7695 29.8066 174.7861 164 T 2.0000 7.9510 115.4357 61.4723 66.9569 172.1507 165 P 3.9487 0.0000 0.0000 63.4461 31.6093 177.5369 166 G 3.7712 7.7881 102.5950 44.3347 0.0000 172.0134 167 A 4.2662 8.0553 121.5041 52.8946 19.0035 178.0573 168 G 4.2154 9.1758 108.2542 45.6462 0.0000 174.9375 169 R 4.4814 7.7099 116.1290 55.5279 30.9755 177.4223 170 F 4.2218 8.1864 114.9813 59.1372 37.8245 176.1384 171 A 4.4319 6.9468 122.5617 52.1295 19.2294 176.8509 172 Q 4.4299 8.0650 115.6435 55.2739 30.4636 175.6564 173 A 4.7758 8.4186 121.7789 51.6097 19.3948 177.3795 174 K 4.5730 8.5783 119.2022 56.2278 34.3128 176.8076 175 S 4.6415 8.5995 115.0311 57.6216 64.6480 175.0177 176 D 4.3984 8.8297 121.2734 57.2313 40.5327 178.6164 177 W 4.0153 8.4151 128.9412 60.8266 30.4120 177.7827 178 D 4.2987 8.1642 117.4010 57.1551 40.2904 178.7058 179 V 3.6398 7.6753 119.2280 64.3807 31.3994 177.6882 180 I 4.0326 7.1992 110.3202 60.7424 39.0672 175.0803 181 H 4.5415 7.2308 117.2040 53.9778 29.1427 171.7193 182 P 4.2729 0.0000 0.0000 63.0583 33.2772 177.7726 183 G 4.0372 8.0369 107.9082 45.0775 0.0000 172.9547 184 R 3.9853 8.4470 126.3935 55.7242 30.4959 178.2114 185 E 3.9088 8.8506 123.1881 59.1399 29.7240 179.3030 186 W 4.3787 7.8170 115.5677 58.9601 28.2620 178.1126 187 A 4.1047 7.0120 122.4206 55.1807 17.4794 179.3652 188 E 3.9758 7.7012 115.9947 59.1336 29.5750 178.7618 189 K 4.4194 7.5832 115.7333 56.0008 32.4497 176.2446 190 C 4.8492 7.7968 118.9904 58.8190 29.0008 173.5799 191 T 4.5510 8.3228 113.3009 61.0017 69.2510 174.1300 192 G 3.8802 7.9255 110.0463 46.1416 0.0000 173.4482 193 V 4.0666 8.2197 120.5606 62.5882 31.9230 175.2826 194 H 4.9248 8.2767 123.7418 53.6878 31.0385 174.8192 195 S 4.1439 8.7450 116.9100 59.3822 62.8676 174.9431 *196 E 4.5025 8.4600 119.2468 54.3678 31.2754 175.1731 197 P 4.3906 0.0000 0.0000 66.8316 31.3078 178.6562 198 Y 3.8111 7.8782 117.4958 60.4977 39.1610 177.8968 199 F 4.3701 8.3733 120.6242 61.4969 39.5522 177.0281 200 I 3.6682 8.1224 118.8009 64.6892 37.0182 178.1381 201 E 3.9575 8.7646 119.4929 59.4954 29.2191 179.3886 202 E 3.9441 8.4210 119.0107 59.2550 29.2302 179.6272 203 R 3.8546 7.4716 117.3938 59.6991 30.4241 178.2570 204 I 3.6897 8.2353 119.1131 64.3153 36.9678 178.2703 205 K 4.2135 8.4692 119.7745 59.9356 32.2434 178.6553 206 Q 3.9588 7.9490 116.8042 59.2851 28.7247 177.9449 207 Y 4.0666 8.2717 119.6035 60.0887 38.7370 177.0417 208 F 4.4968 7.9400 116.3932 59.2172 40.2140 175.5658 209 S 4.3714 8.8518 119.1445 58.3644 62.1097 173.4152 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 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.52 4.74 0.00 3.16 3.12 0.00 5.73 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 9.59 4.49 0.00 2.78 2.19 0.00 0.00 6.45 7.44 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 4 K 9.09 4.68 0.00 1.73 1.62 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.96 7.81 5 K 8.59 3.98 0.00 1.76 1.67 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.02 7.81 6 F 8.77 4.14 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 6.46 4.05 0.00 2.59 2.30 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 0.00 0.00 0.00 0.00 8 R 8.21 3.67 0.00 1.97 1.92 0.00 3.32 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 9 S 8.19 4.07 0.00 4.02 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 10 E 7.28 3.81 0.00 1.74 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 2.20 2.23 0.00 11 H 8.17 4.63 0.00 3.23 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.54 4.11 2.17 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 0.75 0.00 0.00 1.02 0.00 0.00 13 Y 8.70 4.48 0.00 2.90 2.80 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 14 R 7.89 4.39 0.00 1.81 1.64 0.00 3.27 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 15 N 8.25 4.69 0.00 2.25 2.69 0.00 0.00 7.21 8.49 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 16 D 8.71 4.43 0.00 2.72 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 17 S 8.07 4.33 0.00 4.09 4.14 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 18 F 8.53 4.34 0.00 3.12 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.85 3.76 0.00 1.68 1.62 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.97 4.00 0.00 2.14 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 2.48 0.00 21 L 7.71 4.00 0.00 1.77 1.73 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.37 3.71 0.97 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 1.29 1.35 0.53 0.00 0.00 23 K 7.86 3.74 0.00 1.90 2.00 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 24 D 8.00 4.36 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.98 4.05 1.45 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 0.00 0.00 0.00 26 V 8.07 3.67 2.12 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 1.09 0.00 0.00 0.99 0.00 0.00 27 R 7.94 3.94 0.00 2.23 2.04 0.00 3.51 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 28 F 8.33 4.16 0.00 3.32 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.70 4.01 0.00 3.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.34 4.39 0.00 4.19 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 31 G 7.27 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.01 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 107 E 8.10 3.88 0.00 1.98 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 2.25 0.00 108 H 7.89 4.41 0.00 3.49 3.76 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.06 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 0.00 0.00 0.00 110 R 8.09 3.95 0.00 2.08 2.00 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 111 N 7.85 4.39 0.00 2.75 2.82 0.00 0.00 7.16 7.47 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 0.00 112 I 7.82 4.11 1.94 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.90 0.69 0.00 0.00 113 A 7.95 4.09 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 0.00 114 K 8.34 4.13 0.00 2.03 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 115 T 7.08 4.34 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 1.22 0.00 0.00 116 S 8.14 4.46 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.80 0.00 2.72 2.94 0.00 0.00 5.89 7.79 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 0.00 118 L 7.33 4.84 0.00 1.73 1.94 0.78 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.74 4.99 0.00 2.80 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 0.00 120 L 8.93 4.26 0.00 1.84 1.77 0.93 1.04 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 0.00 121 C 8.08 4.39 0.00 3.26 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.93 4.57 0.00 2.88 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 0.00 123 F 8.60 5.45 0.00 3.11 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 0.00 124 S 9.33 5.16 0.00 3.47 3.53 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 0.00 125 C 9.45 5.58 0.00 3.27 3.20 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 0.00 126 R 9.27 5.13 0.00 1.83 1.18 0.00 2.88 0.00 0.00 2.83 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.32 0.00 127 F 7.92 5.75 0.00 3.37 3.22 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 0.00 128 V 9.38 4.58 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 0.66 0.00 0.00 1.21 0.00 0.00 129 I 8.55 5.15 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.10 1.11 0.00 0.00 130 F 9.20 4.67 0.00 2.93 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 0.00 131 E 8.98 4.15 0.00 2.04 1.93 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 2.43 2.27 0.00 132 A 8.31 4.10 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.78 3.63 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 1.24 0.00 0.00 134 G 8.43 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.30 4.09 0.00 3.99 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 0.00 136 D 8.33 4.24 0.00 2.64 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 0.00 137 M 8.14 4.06 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 138 I 7.33 2.72 1.58 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 0.91 0.01 0.78 0.00 0.00 139 S 7.82 3.89 0.00 3.66 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 0.00 140 T 7.72 3.99 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 1.29 0.00 0.00 141 V 7.59 3.54 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 1.12 0.00 0.00 1.14 0.00 0.00 142 E 8.11 3.70 0.00 1.93 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 2.13 2.12 0.00 143 A 7.94 3.93 1.37 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 0.00 0.00 0.00 144 A 8.45 3.92 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 0.00 145 L 8.03 4.02 0.00 1.66 1.71 0.13 0.84 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 0.00 146 I 7.80 3.69 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 0.89 0.00 0.00 147 K 7.67 4.01 0.00 1.86 1.91 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 148 I 7.88 3.69 1.47 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.05 0.00 0.00 149 Y 8.06 4.48 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 3.94 0.00 1.95 1.94 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.55 7.81 151 P 0.00 4.60 0.00 2.22 2.07 0.00 3.61 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 2.00 2.08 0.00 152 L 8.41 3.41 0.00 1.28 1.43 0.20 1.17 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 0.00 153 W 8.51 5.23 0.00 3.73 3.20 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 0.00 154 N 8.22 5.07 0.00 2.90 2.86 0.00 0.00 6.68 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 0.00 155 T 7.88 4.64 4.30 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 0.00 0.00 0.00 1.32 0.00 0.00 156 V 8.34 4.17 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 0.79 0.00 0.00 0.84 0.00 0.00 157 V 7.57 4.42 2.47 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 1.06 0.00 0.00 1.13 0.00 0.00 158 D 7.88 4.61 0.00 2.87 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 0.00 159 G 9.21 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 0.00 0.00 0.00 160 F 8.12 2.85 0.00 1.51 2.32 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 0.00 161 G 7.85 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.04 4.34 0.00 3.19 2.78 0.00 0.00 7.00 7.73 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 0.00 163 H 8.36 4.42 0.00 3.00 3.03 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 T 7.95 2.00 3.19 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 1.03 0.00 0.00 165 P 0.00 3.95 0.00 1.95 1.94 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.54 0.00 166 G 7.79 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 0.00 0.00 0.00 167 A 8.06 4.27 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 0.00 168 G 9.18 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 0.00 0.00 0.00 0.00 169 R 7.71 4.48 0.00 1.83 1.83 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 170 F 8.19 4.22 0.00 3.26 3.36 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 0.00 171 A 6.95 4.43 0.85 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 0.00 0.00 172 Q 8.07 4.43 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 173 A 8.42 4.78 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 0.00 174 K 8.58 4.57 0.00 1.83 1.91 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 175 S 8.60 4.64 0.00 4.30 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 0.00 176 D 8.83 4.40 0.00 2.88 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 0.00 177 W 8.42 4.02 0.00 3.54 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 0.00 178 D 8.16 4.30 0.00 2.88 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 V 7.68 3.64 1.91 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 0.82 0.00 0.00 0.92 0.00 0.00 180 I 7.20 4.03 1.67 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 1.36 -0.12 0.86 0.00 0.00 181 H 7.23 4.54 0.00 1.40 2.04 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 P 0.00 4.27 0.00 2.00 2.04 0.00 3.48 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 1.96 1.86 0.00 183 G 8.04 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 0.00 184 R 8.45 3.99 0.00 1.00 0.87 0.00 3.30 0.00 0.00 2.57 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 185 E 8.85 3.91 0.00 2.09 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 0.00 2.40 2.34 0.00 186 W 7.82 4.38 0.00 3.57 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 0.00 187 A 7.01 4.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.70 3.98 0.00 2.04 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 0.00 2.38 2.47 0.00 189 K 7.58 4.42 0.00 2.04 1.95 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.55 7.81 190 C 7.80 4.85 0.00 3.36 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 0.00 191 T 8.32 4.55 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 192 G 7.93 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 0.00 193 V 8.22 4.07 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 0.76 0.00 0.00 0.91 0.00 0.00 194 H 8.28 4.92 0.00 3.18 3.43 0.00 5.78 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 S 8.74 4.14 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *196 E 8.46 4.50 0.00 1.89 1.81 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 2.27 1.89 0.00 197 P 0.00 4.39 0.00 2.20 2.16 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 198 Y 7.88 3.81 0.00 3.22 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 0.00 199 F 8.37 4.37 0.00 3.31 3.29 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 0.00 200 I 8.12 3.67 2.09 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.79 0.98 0.00 0.00 201 E 8.76 3.96 0.00 2.12 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 2.28 2.33 0.00 202 E 8.42 3.94 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 2.04 2.63 0.00 203 R 7.47 3.85 0.00 1.79 1.87 0.00 2.25 0.00 0.00 2.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.27 0.00 204 I 8.24 3.69 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 1.34 0.00 0.00 205 K 8.47 4.21 0.00 1.83 2.07 0.00 1.91 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.68 7.81 206 Q 7.95 3.96 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 207 Y 8.27 4.07 0.00 2.81 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 0.00 208 F 7.94 4.50 0.00 3.12 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 0.00 209 S 8.85 4.37 0.00 3.78 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 * Residues marked with a * may have inaccurate shift predictions.