NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 S 4.3266 8.3231 115.2893 57.8904 63.5388 172.1275 30 G 3.7477 8.2403 110.3836 43.9771 0.0000 171.5961 31 I 3.7204 8.3756 120.0993 61.5299 38.3413 174.0536 32 S 4.7359 8.5453 118.9098 56.5146 64.4251 173.3073 33 L 4.3747 8.6175 126.4035 54.3752 43.1711 176.0898 34 D 4.3719 7.8898 116.4541 55.4713 38.1258 173.7224 35 N 4.6606 8.0681 114.0809 53.5080 39.7586 175.8640 36 S 4.7109 7.4723 111.8683 55.8673 65.9996 173.4964 37 Y 4.1891 8.3727 119.9301 57.9018 38.1925 176.1842 38 K 4.1764 8.8933 124.8428 57.2062 32.0684 176.1162 39 M 4.8731 8.7710 125.9177 55.2801 32.5322 175.8623 40 D 4.9212 7.9335 116.4910 53.2460 39.8908 175.9487 41 Y 4.1895 7.7249 116.9743 57.7413 38.4994 174.4225 42 P 4.4204 0.0000 0.0000 65.0500 31.7065 177.0028 43 E 4.7768 8.2503 116.2857 54.4350 32.8740 176.9888 44 M 3.7386 8.3013 121.8485 58.2125 32.3699 175.6721 45 G 4.4172 7.4714 102.3196 44.0140 0.0000 172.1882 46 L 4.8612 8.5023 118.8437 54.3626 43.7095 176.3799 47 C 4.4929 8.8540 121.6325 57.5899 33.9124 172.2287 48 I 4.5224 8.3572 128.1714 60.1632 38.4707 174.9547 49 I 4.5822 8.7293 128.8809 59.5994 39.6398 174.8089 50 I 4.5285 8.7597 129.4359 59.9489 38.8714 174.6428 51 N 5.0098 9.3880 128.5896 52.0869 39.6487 172.8436 52 N 4.8453 8.8904 123.8640 51.9725 38.9712 174.4640 53 K 4.3694 9.4446 125.7218 57.3495 33.6842 175.7046 54 N 5.2269 8.0361 114.6762 51.4457 40.1567 174.1642 55 F 4.8388 8.6384 121.0014 55.3253 42.1321 175.1010 56 H 4.3453 8.9463 120.8961 55.8466 29.3345 176.5623 57 K 3.8549 9.0899 125.4032 59.6655 32.0658 178.6227 58 S 4.2425 8.2370 112.0137 61.3006 62.7681 175.4527 59 T 4.0281 8.0828 110.6352 62.2949 68.9437 175.9263 60 G 3.8667 8.1416 109.1648 45.8630 0.0000 172.9972 61 M 3.9732 7.5793 119.2033 54.1166 32.7443 176.6273 62 T 4.2572 7.8005 113.2110 60.7354 70.1175 174.4783 63 S 4.6796 8.4118 117.2597 58.7327 64.2944 175.3277 64 R 4.3927 8.7585 124.1468 54.2182 28.4369 175.6464 65 S 4.2885 7.8194 114.6246 60.3856 63.8536 175.3342 66 G 4.0323 8.9814 113.0716 45.7813 0.0000 175.2714 67 T 3.9274 7.9051 113.8147 65.0623 67.1487 175.8052 68 D 4.3711 8.0754 120.6897 57.0655 40.8484 178.5932 69 V 3.5931 7.6661 118.7060 65.8956 31.4257 177.8557 70 D 4.3161 7.9758 117.9176 57.3340 40.8282 178.2612 71 A 3.9667 8.3187 121.3511 55.2800 18.3625 179.5884 72 A 3.9480 8.1877 119.2199 55.2347 18.3704 179.3378 73 N 4.2434 8.3001 115.5979 56.8323 38.9442 177.1136 74 L 4.0833 8.2762 120.6995 57.7565 41.7196 179.3594 75 R 3.9180 8.1103 118.6561 59.4854 30.1066 178.2320 76 E 3.9289 8.2263 118.9922 59.5026 29.3312 178.7721 77 T 3.7460 8.1160 115.9975 66.8634 68.5562 176.6263 78 F 3.8709 8.5285 119.2835 59.7525 38.9198 177.9425 79 R 3.9957 8.0021 119.1115 59.4798 29.7238 177.9927 80 N 4.5803 8.0278 114.1782 54.9862 38.6599 176.2438 81 L 4.4547 7.1607 118.7313 53.7992 42.0629 176.5247 82 K 3.9496 7.8785 117.2978 57.6219 29.7385 175.6370 83 Y 4.3559 8.1144 115.6202 57.2704 39.5684 175.9121 84 E 4.3213 9.1568 124.2061 55.3870 29.8956 174.8269 85 V 4.4476 8.2134 126.7310 62.2442 32.8157 175.1296 86 R 4.6461 8.9560 126.4586 54.4410 33.2967 173.8566 87 N 5.4424 8.8665 122.3690 51.8560 41.6250 173.8869 88 K 4.6867 8.9635 123.2520 54.8201 36.3488 174.9420 89 N 5.2080 8.8453 121.4696 52.1655 41.0478 174.5522 90 D 4.1688 8.1776 119.7876 55.2807 38.8362 173.2004 91 L 4.7156 8.5866 120.5937 53.3163 43.8967 177.5260 92 T 4.7701 9.0492 115.5671 60.4386 71.0848 175.9978 93 R 3.9366 9.5003 118.9408 59.7066 29.1965 178.9239 94 E 4.0102 8.1128 118.7286 59.1722 29.4521 179.0193 95 E 4.0052 8.1785 118.7074 59.1984 29.4844 179.4756 96 I 3.7231 7.9627 120.0973 64.3869 37.1602 178.6346 97 V 3.7266 7.7601 118.9346 65.9599 31.2852 177.6779 98 E 3.8110 8.3561 119.1787 58.9908 29.3995 178.4847 99 L 3.8940 8.1474 120.6181 58.4989 42.1256 178.8551 100 M 4.1725 8.0352 118.5142 58.3246 31.9195 178.7224 101 R 2.5789 7.2821 118.6547 59.0576 29.9520 178.1955 102 D 4.2306 7.7478 117.3890 57.4163 41.1643 178.7476 103 V 3.7648 8.0450 119.2464 66.0003 31.3739 178.1946 104 S 3.9025 7.8855 112.8485 60.4854 62.7875 175.6398 105 K 4.2083 7.2765 119.7531 56.1322 32.3264 176.7645 106 E 4.0504 7.1743 119.1109 55.8375 30.0502 176.2575 107 D 4.5557 8.2719 120.3603 53.9568 40.6233 175.1212 108 H 4.7457 8.5711 123.3667 55.7288 29.0710 177.3918 109 S 4.0587 8.5752 118.9709 61.7108 62.9013 175.7336 110 K 4.6084 8.0302 116.8628 56.2043 32.0509 175.3484 111 R 5.0878 7.5909 118.6885 54.6186 31.4095 176.8414 112 S 4.1496 9.0205 120.2964 61.4293 64.0265 173.7829 113 S 4.6575 8.0931 112.7551 57.6348 66.7912 172.9737 114 F 5.1387 8.8142 120.8442 56.7042 42.8889 173.6617 115 V 4.0951 7.5864 124.9342 60.7938 34.7890 173.5904 116 C 4.6624 7.9914 127.2452 57.3120 34.7773 172.4079 117 V 4.7012 8.9599 126.4427 60.9788 33.9316 173.9621 118 L 4.9649 9.0786 127.9864 52.9756 44.5109 175.3808 119 L 4.9976 8.3962 124.6159 54.0000 43.8632 175.6007 120 S 5.0155 8.2307 118.3136 58.3456 67.3128 174.8234 121 H 4.4147 8.7132 116.7480 56.0232 29.9936 174.6785 122 G 4.7390 8.0530 105.9242 46.6181 0.0000 171.3913 123 E 4.9385 8.5360 118.1989 54.2408 34.8786 174.6735 124 E 3.9309 8.8630 121.1868 58.1565 29.6727 176.8220 125 G 3.9737 9.1157 113.4678 45.7648 0.0000 172.0558 126 I 5.0236 8.0012 119.8974 59.2103 41.5129 174.1928 127 I 4.9059 8.6032 125.2583 59.2835 41.2857 173.9770 128 F 4.9449 9.3609 127.9582 56.4585 40.1614 176.4106 129 G 4.0656 9.5365 113.9682 44.3596 0.0000 174.6711 130 T 3.8629 8.5755 109.3380 63.4507 68.7002 175.5147 131 N 4.9775 9.2894 117.3222 51.1490 38.0143 173.9449 132 G 4.3500 7.1347 110.3041 44.2624 0.0000 170.3185 133 P 4.2258 0.0000 0.0000 62.3941 32.4516 176.0034 134 V 4.3864 8.4379 120.4470 61.0325 35.2421 174.2621 135 D 4.7084 8.7007 127.8545 54.2873 41.3562 177.5347 136 L 3.9828 8.9827 124.1527 57.7377 41.5910 179.7373 137 K 3.9059 7.8947 120.5377 58.6966 31.8908 178.6122 138 K 3.7772 7.5599 118.8582 59.2546 32.4100 178.7371 139 I 4.2178 7.6566 119.9430 64.7865 36.8655 178.4009 140 T 3.9634 8.0349 110.4778 64.5073 68.5897 176.3490 141 N 4.3225 8.2069 119.6450 56.2322 38.2213 177.1040 142 F 4.1742 7.3919 117.6423 59.6153 38.9013 176.0274 143 F 4.6533 7.8179 114.8610 56.8593 39.4057 176.1874 144 R 4.1104 7.7951 121.3364 56.2522 30.4152 177.9411 145 G 3.7944 8.7941 109.5007 48.3064 0.0000 174.0920 146 D 4.6677 8.0102 116.7317 53.6452 40.2711 177.0041 147 R 4.4186 7.8372 117.7387 56.5410 31.6943 175.9906 148 C 4.6866 7.5106 117.5275 56.6546 31.7016 173.8750 149 R 4.3947 8.4495 123.5903 58.0575 30.1297 178.6128 150 S 4.4663 8.0262 109.7326 59.2675 63.4677 174.2465 151 L 4.6062 7.8446 120.4165 54.5091 43.1254 176.3862 152 T 4.0171 7.5428 117.4605 65.0921 68.6320 175.3341 153 G 4.1443 9.1107 113.9811 45.3651 0.0000 173.0235 154 K 4.5821 7.7537 118.8299 53.3242 34.6935 174.2053 155 P 4.1316 0.0000 0.0000 62.7182 32.4770 175.0945 156 K 4.6580 8.6776 123.0279 54.7640 34.3536 175.2185 157 L 4.6356 8.6690 126.5387 52.8572 43.9019 175.7195 158 F 4.8610 8.9048 122.6070 55.7495 41.3713 174.8146 159 I 4.3613 8.6498 126.0996 59.7248 38.9568 174.9948 160 I 4.8076 8.4620 128.2881 59.7513 39.5633 175.4796 161 Q 4.4945 8.7778 130.5949 54.9458 29.4107 173.9518 162 A 4.8767 7.7988 124.6839 51.6189 21.9183 175.4408 163 C 4.3473 8.8800 117.0896 59.6719 29.1357 173.9304 164 R 4.6065 9.6058 118.3392 54.0866 31.3113 177.0614 165 G 3.8470 6.9532 105.3118 45.9032 0.0000 173.9550 166 T 4.6100 7.9681 115.2670 61.2515 69.4891 173.6080 167 E 4.3447 8.1143 120.5695 56.2729 30.4579 175.8446 168 L 4.6658 8.1827 120.8519 52.9209 44.5612 175.8010 169 D 4.7012 8.4924 122.5755 52.6729 41.2215 176.0990 170 C 4.1013 8.6741 122.6318 58.9510 29.9775 174.7399 171 G 3.9879 8.6271 109.7261 44.8579 0.0000 172.4980 172 I 4.5501 7.7408 117.2689 58.7144 40.9367 174.1062 173 E 3.9979 8.8446 128.4880 56.5612 30.0068 175.8596 174 T 4.4132 8.2003 117.4444 60.4044 71.6467 174.6035 *175 D 4.4254 8.4284 118.9663 53.5785 40.5341 172.1579 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 29 S 8.32 4.33 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 0.00 0.00 0.00 31 I 8.38 3.72 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 1.30 0.57 0.91 0.00 0.00 32 S 8.55 4.74 0.00 3.78 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 33 L 8.62 4.37 0.00 1.65 1.67 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.89 4.37 0.00 2.77 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 35 N 8.07 4.66 0.00 2.68 2.82 0.00 0.00 6.96 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.47 4.71 0.00 3.96 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 37 Y 8.37 4.19 0.00 3.07 2.95 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 38 K 8.89 4.18 0.00 1.80 1.99 0.00 1.57 0.00 0.00 1.41 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 39 M 8.77 4.87 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 40 D 7.93 4.92 0.00 2.73 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 41 Y 7.72 4.19 0.00 3.11 3.16 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 0.00 0.00 0.00 0.00 42 P 0.00 4.42 0.00 2.09 2.16 0.00 4.01 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 43 E 8.25 4.78 0.00 2.12 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 2.20 2.24 0.00 44 M 8.30 3.74 0.00 0.79 1.68 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.29 0.00 45 G 7.47 4.42 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 0.00 46 L 8.50 4.86 0.00 1.84 1.68 1.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.85 4.49 0.00 2.43 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.36 4.52 1.75 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.23 0.93 0.00 0.00 49 I 8.73 4.58 1.92 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 1.06 0.55 0.91 0.00 0.00 50 I 8.76 4.53 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.71 0.93 0.00 0.00 51 N 9.39 5.01 0.00 2.76 2.87 0.00 0.00 6.78 6.64 0.00 0.00 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 N 8.89 4.85 0.00 2.87 2.37 0.00 0.00 6.78 7.22 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 53 K 9.44 4.37 0.00 1.74 1.74 0.00 1.62 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.59 7.81 54 N 8.04 5.23 0.00 2.82 2.73 0.00 0.00 6.72 7.45 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 55 F 8.64 4.84 0.00 3.15 3.02 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 56 H 8.95 4.35 0.00 3.33 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.09 3.85 0.00 1.85 1.86 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.54 7.81 58 S 8.24 4.24 0.00 4.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.08 4.03 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 60 G 8.14 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.58 3.97 0.00 1.07 1.73 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 62 T 7.80 4.26 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 1.15 0.00 0.00 63 S 8.41 4.68 0.00 4.08 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 0.00 64 R 8.76 4.39 0.00 1.98 1.94 0.00 2.93 0.00 0.00 3.65 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.71 0.00 65 S 7.82 4.29 0.00 3.86 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 66 G 8.98 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 67 T 7.91 3.93 4.34 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 1.31 0.00 0.00 68 D 8.08 4.37 0.00 2.73 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 69 V 7.67 3.59 2.24 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 1.03 0.00 0.00 0.93 0.00 0.00 70 D 7.98 4.32 0.00 2.94 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 71 A 8.32 3.97 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 72 A 8.19 3.95 1.39 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 0.00 0.00 73 N 8.30 4.24 0.00 2.95 2.95 0.00 0.00 7.25 6.25 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 74 L 8.28 4.08 0.00 1.91 1.80 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.11 3.92 0.00 1.99 2.12 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 76 E 8.23 3.93 0.00 2.15 2.07 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 2.30 2.38 0.00 77 T 8.12 3.75 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 0.83 0.00 0.00 78 F 8.53 3.87 0.00 3.14 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 79 R 8.00 4.00 0.00 2.10 2.16 0.00 3.11 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 1.66 1.71 0.00 80 N 8.03 4.58 0.00 2.88 2.85 0.00 0.00 7.05 7.62 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 81 L 7.16 4.45 0.00 2.06 1.93 0.66 0.86 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 82 K 7.88 3.95 0.00 1.87 1.92 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.53 7.81 83 Y 8.11 4.36 0.00 3.15 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 84 E 9.16 4.32 0.00 2.06 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 0.00 2.30 2.27 0.00 85 V 8.21 4.45 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.12 0.00 0.00 86 R 8.96 4.65 0.00 1.75 1.77 0.00 3.17 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 N 8.87 5.44 0.00 2.67 2.66 0.00 0.00 6.97 6.68 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 88 K 8.96 4.69 0.00 1.64 1.62 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.54 7.81 89 N 8.85 5.21 0.00 2.55 2.67 0.00 0.00 7.30 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 90 D 8.18 4.17 0.00 2.67 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 91 L 8.59 4.72 0.00 1.66 1.56 0.93 0.60 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 92 T 9.05 4.77 4.52 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 1.21 0.00 0.00 93 R 9.50 3.94 0.00 2.01 2.43 0.00 2.78 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 94 E 8.11 4.01 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 95 E 8.18 4.01 0.00 2.24 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 0.00 2.33 2.35 0.00 96 I 7.96 3.72 2.08 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 1.45 1.11 0.99 0.00 0.00 97 V 7.76 3.73 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 1.28 0.00 0.00 1.10 0.00 0.00 98 E 8.36 3.81 0.00 2.17 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 2.26 2.28 0.00 99 L 8.15 3.89 0.00 1.87 1.90 0.94 1.26 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 0.00 100 M 8.04 4.17 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.02 0.00 101 R 7.28 2.58 0.00 0.97 1.67 0.00 3.10 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 102 D 7.75 4.23 0.00 2.80 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 0.00 103 V 8.05 3.76 2.36 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 1.25 0.00 0.00 1.06 0.00 0.00 104 S 7.89 3.90 0.00 3.44 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 K 7.28 4.21 0.00 1.82 1.83 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.54 7.81 106 E 7.17 4.05 0.00 1.94 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 2.30 2.39 0.00 107 D 8.27 4.56 0.00 2.61 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 0.00 108 H 8.57 4.75 0.00 3.31 3.25 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.58 4.06 0.00 3.90 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 0.00 110 K 8.03 4.61 0.00 1.84 1.87 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.49 7.81 111 R 7.59 5.09 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 112 S 9.02 4.15 0.00 3.86 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 0.00 113 S 8.09 4.66 0.00 4.00 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 0.00 114 F 8.81 5.14 0.00 2.99 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 0.00 115 V 7.59 4.10 1.26 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 -0.14 0.00 0.00 0.30 0.00 0.00 116 C 7.99 4.66 0.00 2.25 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 0.00 0.00 0.00 117 V 8.96 4.70 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 0.99 0.00 0.00 0.58 0.00 0.00 118 L 9.08 4.96 0.00 1.63 1.61 1.04 0.42 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 0.00 119 L 8.40 5.00 0.00 1.59 1.60 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.23 5.02 0.00 4.06 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.71 4.41 0.00 2.68 2.60 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.05 4.74 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 0.00 123 E 8.54 4.94 0.00 1.96 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 2.51 2.53 0.00 124 E 8.86 3.93 0.00 2.09 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 2.30 2.39 0.00 125 G 9.12 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 0.00 0.00 0.00 126 I 8.00 5.02 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.15 0.63 0.00 0.00 127 I 8.60 4.91 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.73 1.03 0.00 0.00 128 F 9.36 4.94 0.00 3.18 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 0.00 129 G 9.54 4.07 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 0.00 130 T 8.58 3.86 4.06 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 0.96 0.00 0.00 131 N 9.29 4.98 0.00 2.83 2.71 0.00 0.00 5.94 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 7.13 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 0.00 0.00 0.00 0.00 133 P 0.00 4.23 0.00 1.63 0.79 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 134 V 8.44 4.39 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 1.06 0.00 0.00 0.93 0.00 0.00 135 D 8.70 4.71 0.00 2.63 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 0.00 136 L 8.98 3.98 0.00 1.63 1.65 0.92 1.00 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 0.00 137 K 7.89 3.91 0.00 1.80 1.73 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.33 7.81 138 K 7.56 3.78 0.00 1.76 1.94 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.32 7.81 139 I 7.66 4.22 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.78 1.22 0.00 0.00 140 T 8.03 3.96 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 0.28 0.00 0.00 141 N 8.21 4.32 0.00 2.63 2.65 0.00 0.00 6.86 7.70 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 0.00 142 F 7.39 4.17 0.00 2.94 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 0.00 143 F 7.82 4.65 0.00 3.36 3.15 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 0.00 144 R 7.80 4.11 0.00 1.98 2.07 0.00 3.10 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 145 G 8.79 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 0.00 146 D 8.01 4.67 0.00 2.79 2.79 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 0.00 147 R 7.84 4.42 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 148 C 7.51 4.69 0.00 2.93 2.74 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 0.00 149 R 8.45 4.39 0.00 1.88 1.98 0.00 3.76 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 150 S 8.03 4.47 0.00 4.00 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 0.00 151 L 7.84 4.61 0.00 1.84 1.69 0.71 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 152 T 7.54 4.02 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 153 G 9.11 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 0.00 0.00 0.00 154 K 7.75 4.58 0.00 1.83 1.75 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.31 7.81 155 P 0.00 4.13 0.00 1.83 1.18 0.00 3.52 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.48 0.00 156 K 8.68 4.66 0.00 1.78 2.00 0.00 1.97 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.65 7.81 157 L 8.67 4.64 0.00 1.23 1.44 0.88 0.82 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 0.00 158 F 8.90 4.86 0.00 2.85 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 0.00 159 I 8.65 4.36 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.55 0.92 0.00 0.00 160 I 8.46 4.81 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.96 0.00 0.00 161 Q 8.78 4.49 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 162 A 7.80 4.88 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 0.00 163 C 8.88 4.35 0.00 3.10 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 0.00 164 R 9.61 4.61 0.00 1.76 2.06 0.00 3.32 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 165 G 6.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 7.97 4.61 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 1.20 0.00 0.00 167 E 8.11 4.34 0.00 1.98 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 0.00 2.30 2.33 0.00 168 L 8.18 4.67 0.00 1.58 1.53 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.49 4.70 0.00 2.63 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 0.00 170 C 8.67 4.10 0.00 3.12 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 0.00 171 G 8.63 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 0.00 0.00 0.00 0.00 172 I 7.74 4.55 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 1.30 0.75 0.91 0.00 0.00 173 E 8.84 4.00 0.00 1.94 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 2.29 2.36 0.00 174 T 8.20 4.41 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 *175 D 8.43 4.43 0.00 2.47 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 * Residues marked with a * may have inaccurate shift predictions.