NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2409 8.3049 120.3493 50.9324 34.4210 177.6381 2 N 3.4574 8.4039 116.4983 54.4351 39.2123 175.3431 3 R 3.4938 7.4586 116.9643 56.6580 26.8102 177.1966 4 G 3.8933 8.0098 104.1229 47.3337 0.0000 172.5358 5 A 4.2064 7.8237 122.4361 55.0556 19.0447 178.9202 6 L 3.8731 7.8432 118.7625 58.6724 41.3997 179.2720 7 I 3.8834 7.7023 118.9310 63.6464 37.0941 177.4286 8 K 4.2672 8.4851 117.4355 57.4190 32.3080 178.6087 9 L 4.2793 7.5175 119.8543 57.3570 42.0711 178.7178 10 V 3.6694 7.6723 116.3770 65.6316 31.3209 177.6396 11 E 4.2892 7.5555 116.7406 58.9832 30.8431 178.9163 12 S 4.3390 7.4862 116.1140 58.2229 60.2510 174.0937 13 R 4.1803 8.1280 123.7599 58.0068 30.8823 178.0072 14 Y 4.4686 8.1684 114.5970 58.1211 37.4694 175.6302 15 V 3.9695 7.5671 114.2627 60.7395 32.3151 177.0217 16 R 4.3861 8.4438 123.7346 56.3558 31.0459 175.5456 17 T 4.6996 8.0177 109.6468 63.1106 72.9169 174.6434 18 D 4.4769 8.5383 120.4390 56.7028 39.5798 176.2906 19 L 3.7355 7.5673 118.4288 52.5111 42.3423 175.2697 20 P 4.4075 0.0000 0.0000 61.8264 31.5132 176.0744 21 E 4.0932 8.7736 124.9396 56.7110 30.0343 175.9204 22 F 4.7698 7.9731 117.6589 56.1643 40.1793 173.5426 23 R 4.4486 8.1360 121.8146 53.7634 32.5334 176.0426 24 P 5.1761 0.0000 0.0000 61.6319 29.7895 178.1699 25 G 3.5569 9.2078 108.2480 45.0330 0.0000 173.7314 26 D 4.7038 7.2075 120.1430 53.6804 45.2291 175.3158 27 T 4.9032 7.1446 120.9061 60.8141 71.4989 172.1542 28 V 4.9430 6.9746 117.8624 63.1612 33.4863 172.3024 29 R 4.3581 8.8687 124.9173 56.3725 33.0916 173.0646 30 V 3.5727 7.2042 117.4813 54.5038 33.4113 176.4668 31 S 4.0052 8.3518 116.9047 56.8549 65.2552 174.5912 32 Y 5.2385 7.8420 118.7407 56.5613 38.7298 172.9978 33 K 3.9365 8.0211 118.6482 58.0224 32.5197 176.7490 34 V 5.0046 8.3387 122.2634 61.2974 33.3024 177.9200 35 K 4.4425 8.3244 125.1763 56.1643 31.8528 179.9324 36 E 3.6187 9.0582 122.3594 56.2519 28.0137 176.9792 37 G 4.0832 7.2846 117.9145 45.0000 0.0000 173.0088 38 N 4.5565 7.4193 128.1125 53.7037 42.1930 173.8618 39 R 4.5946 7.8654 115.6182 55.5913 30.5534 177.9023 40 T 3.9587 8.6420 120.6219 62.7812 68.7755 171.9183 41 R 4.5810 8.5818 128.6570 55.7449 30.6412 173.5378 42 I 3.7918 7.0399 113.2209 61.6666 38.9383 176.6913 43 Q 4.5022 9.4453 124.4348 54.7539 32.4934 174.3189 44 D 4.9280 8.7518 126.0121 54.1593 42.7700 176.0507 45 F 4.5547 8.3237 120.6917 56.7256 41.6708 172.7061 46 E 4.3068 8.4667 127.0316 54.6084 30.0691 176.2111 47 G 4.2236 7.4782 115.6126 46.0259 0.0000 171.7720 48 I 4.2975 7.6089 122.3231 60.8484 38.8528 176.2100 49 V 4.3919 8.3670 126.1842 61.1645 31.6615 176.3761 50 I 3.8442 8.9379 128.7412 63.8047 39.0454 175.5764 51 R 4.7382 7.5312 115.0904 55.5201 32.2765 174.0167 52 I 5.1529 8.2719 120.5397 59.8111 41.1779 174.5798 53 R 4.5855 9.0244 124.4469 54.6940 31.2092 175.5513 54 R 4.7154 8.3176 122.8100 53.4962 31.8851 176.2151 55 N 4.5663 8.6296 116.0535 53.7521 41.2325 175.7079 56 G 3.7791 7.9921 115.1821 46.2780 0.0000 176.1515 57 F 4.4213 9.0169 130.4008 59.3111 39.2362 173.7614 58 N 3.7853 6.7169 115.7689 53.2650 36.6147 173.8938 59 T 4.1938 8.2650 116.7532 62.8483 68.7603 173.0582 60 T 5.0292 8.6111 116.3108 60.0059 73.0110 172.1891 61 F 5.5197 8.2839 115.0959 55.7555 41.9704 173.4475 62 T 5.1387 9.2168 116.4219 61.8485 71.9042 173.1789 63 V 5.0125 8.8778 125.2552 61.1386 34.8955 174.0631 64 R 5.2120 9.1974 127.8887 54.5586 32.5310 174.1784 65 K 4.7633 9.2444 126.5104 54.8424 36.7111 175.3159 66 V 4.2626 8.2590 123.3371 61.2708 31.3716 174.9996 67 S 4.2297 8.3899 123.2387 57.1196 63.2226 174.2209 68 Y 3.4174 7.8326 128.3305 58.5733 35.6913 171.5858 69 G 3.8194 9.2485 112.2865 49.7645 0.0000 173.8693 70 V 3.9077 7.7706 119.8963 62.0076 32.4395 174.2643 71 G 4.5095 8.3384 110.5677 44.5955 0.0000 173.0077 72 V 4.8300 9.6206 123.0988 60.9488 35.6044 174.0073 73 E 5.9800 8.6823 122.7646 53.7865 33.3429 175.1645 74 R 4.3046 8.5188 121.2124 54.1519 34.0220 174.2541 75 I 4.4649 7.6758 122.9630 59.3798 39.6953 174.8084 76 F 4.9807 8.0652 125.8863 54.8604 40.7727 175.1437 77 P 4.0667 0.0000 0.0000 63.7978 31.3510 177.6756 78 L 4.2346 8.7326 117.7047 55.4245 40.6917 172.9578 79 H 4.8786 7.5127 112.0739 56.1881 32.3922 171.0576 80 S 4.1394 8.4266 117.4504 57.9029 61.7652 168.4739 81 P 4.6425 0.0000 0.0000 62.1541 31.3997 175.8961 82 L 4.6106 7.6827 119.8122 52.8896 40.8382 176.2275 83 I 3.6956 7.2008 116.9943 63.0287 37.6048 178.2949 84 Q 4.3484 7.9251 120.9985 55.0857 30.1883 176.1483 85 K 4.2737 7.7710 116.1425 55.5081 32.5158 174.8871 86 I 4.0677 7.7035 117.4906 60.4410 39.2727 173.8440 87 D 4.9384 8.2692 126.2767 52.8526 41.8688 175.0824 88 I 3.6568 8.0353 123.6583 62.9006 36.9301 179.5747 89 V 3.9990 8.7353 120.1482 60.3207 30.9360 176.1169 90 Q 4.5092 7.8390 125.4788 56.3271 28.5863 175.2978 91 R 4.5541 7.7547 119.4091 55.3581 31.1726 176.3863 92 G 4.1516 9.8255 121.0235 47.1513 0.0000 173.7602 93 R 3.8121 7.7754 115.5970 56.5105 27.2020 175.8627 94 A 4.4022 7.5679 119.3785 51.6826 19.9235 178.4121 95 R 4.2186 8.6324 121.9437 58.4088 31.2935 177.7004 96 R 4.5224 7.7261 119.9904 55.9441 30.9003 175.6551 97 A 4.5995 8.5585 117.9955 53.0219 23.5426 176.1166 98 K 4.3448 8.0335 114.1654 54.9439 33.6346 175.1072 99 L 4.6574 8.4472 125.5928 54.9125 41.9649 178.9886 100 Y 4.2593 7.9557 120.0703 61.3062 38.2880 179.0214 101 F 4.3808 8.7348 115.4315 59.9606 37.7523 177.1492 102 I 3.8186 6.7954 113.1281 63.4235 36.7663 178.1097 103 R 3.9574 7.8150 119.3565 58.9634 29.8679 177.6476 104 N 4.7075 8.3602 115.2060 54.7690 39.2941 177.3315 105 L 4.4531 8.3258 120.9474 57.2447 43.2300 178.7384 106 S 3.7146 7.4717 107.9076 57.7088 62.3134 172.6846 107 D 4.6692 6.7901 135.0000 54.2639 41.7231 180.1945 108 R 4.0105 8.2916 115.3419 59.2326 29.8847 177.2988 109 E 3.9260 7.9512 118.2673 59.7797 29.4440 179.5694 110 I 3.7213 7.4293 119.7237 64.6115 37.0063 178.2166 111 R 3.9130 7.8251 117.4784 59.5019 30.1489 179.0670 112 R 4.1036 7.9432 113.0576 58.0444 29.5257 177.4748 113 K 4.4470 7.6275 118.5269 56.5515 34.5945 176.7907 114 L 5.4084 7.8741 118.7019 52.0593 41.7836 178.1379 115 R 4.4057 7.5333 122.4169 55.4655 29.9155 178.8126 116 A 4.6314 8.3873 129.3396 50.8908 21.7706 177.2335 117 D 4.6528 8.4047 123.7834 52.4130 38.3405 176.3027 118 R 3.8782 8.0247 123.8788 59.1507 30.6695 177.5779 119 K 3.9050 8.1028 118.3346 60.1298 31.9376 178.5445 120 R 3.9919 7.8577 116.0343 59.0462 30.2029 179.1010 121 I 4.0279 7.9642 119.9327 64.5682 37.1713 177.7655 122 D 4.4542 8.6943 120.3873 57.7914 40.4931 179.2319 123 Q 4.0525 7.7962 115.7466 58.7347 28.8450 177.8118 124 D 4.4863 8.2014 121.1948 57.2436 41.0896 178.5130 125 R 4.1362 7.8679 117.8621 58.9887 30.0446 178.7986 126 A 4.3659 8.0204 117.6092 52.6398 17.6265 177.3202 127 A 4.7670 8.1548 119.2247 53.0072 19.8957 178.2448 128 E 3.8252 8.6541 117.9186 59.7454 30.3522 178.4772 129 R 3.3951 6.9206 115.9201 57.6500 27.4453 175.2801 130 A 4.6212 8.6885 127.5057 50.6436 19.9974 177.4020 131 A 3.9363 8.1402 124.0997 53.7415 18.2838 178.2836 132 K 3.8462 8.6645 121.6825 60.3210 32.4810 176.9479 133 E 3.6839 7.7670 115.5760 56.9262 29.6295 177.0410 134 E 4.3066 8.5555 124.6397 54.7878 29.6249 174.7325 135 A 3.6499 8.4622 131.3228 52.9825 15.9620 177.5837 136 Q 4.3644 8.0538 120.3273 55.5437 31.2939 173.5859 137 K 4.3916 8.2248 124.5911 55.0287 35.7247 175.4280 *138 A 4.1219 8.3948 122.7188 52.3820 18.7921 176.5205 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 M 8.30 4.24 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.40 3.46 0.00 2.92 2.77 0.00 0.00 6.99 6.78 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 3 R 7.46 3.49 0.00 1.93 2.11 0.00 3.16 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 4 G 8.01 3.89 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 0.00 0.00 0.00 5 A 7.82 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 6 L 7.84 3.87 0.00 1.78 1.85 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.70 3.88 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.05 0.92 0.00 0.00 8 K 8.49 4.27 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.64 7.81 9 L 7.52 4.28 0.00 1.93 1.70 0.93 0.87 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 10 V 7.67 3.67 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 0.84 0.00 0.00 0.96 0.00 0.00 11 E 7.56 4.29 0.00 2.15 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 2.52 2.51 0.00 12 S 7.49 4.34 0.00 3.72 3.14 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 13 R 8.13 4.18 0.00 1.64 1.85 0.00 3.32 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.55 0.00 14 Y 8.17 4.47 0.00 2.57 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 15 V 7.57 3.97 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 0.54 0.00 0.00 0.94 0.00 0.00 16 R 8.44 4.39 0.00 1.63 1.86 0.00 3.65 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 17 T 8.02 4.70 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 1.21 0.00 0.00 18 D 8.54 4.48 0.00 2.83 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 19 L 7.57 3.74 0.00 1.75 1.76 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.41 0.00 2.02 2.01 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 21 E 8.77 4.09 0.00 1.96 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 2.29 2.29 0.00 22 F 7.97 4.77 0.00 3.08 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 23 R 8.14 4.45 0.00 1.88 1.87 0.00 3.12 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 24 P 0.00 5.18 0.00 2.04 2.15 0.00 3.70 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 25 G 9.21 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.21 4.70 0.00 2.75 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 27 T 7.14 4.90 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 0.77 0.00 0.00 28 V 6.97 4.94 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 0.53 0.00 0.00 0.99 0.00 0.00 29 R 8.87 4.36 0.00 1.91 1.59 0.00 3.26 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 30 V 7.20 3.57 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 0.78 0.00 0.00 0.97 0.00 0.00 31 S 8.35 4.01 0.00 3.13 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.84 5.24 0.00 3.07 3.31 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 33 K 8.02 3.94 0.00 1.97 1.86 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.55 7.81 34 V 8.34 5.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.10 0.00 0.00 35 K 8.32 4.44 0.00 1.92 0.98 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 36 E 9.06 3.62 0.00 1.99 1.92 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 2.29 2.38 0.00 37 G 7.28 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 38 N 7.42 4.56 0.00 2.79 2.63 0.00 0.00 6.13 7.66 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 39 R 7.87 4.59 0.00 1.83 1.18 0.00 3.34 0.00 0.00 3.41 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 40 T 8.64 3.96 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 1.25 0.00 0.00 41 R 8.58 4.58 0.00 1.91 2.06 0.00 3.44 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.29 0.00 42 I 7.04 3.79 1.83 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 1.22 0.57 0.92 0.00 0.00 43 Q 9.45 4.50 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 44 D 8.75 4.93 0.00 2.59 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 45 F 8.32 4.55 0.00 3.19 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 46 E 8.47 4.31 0.00 1.82 1.62 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 2.17 2.26 0.00 47 G 7.48 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 48 I 7.61 4.30 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.92 0.00 0.00 49 V 8.37 4.39 2.20 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 0.83 0.00 0.00 1.10 0.00 0.00 50 I 8.94 3.84 1.81 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.09 0.84 0.00 0.00 51 R 7.53 4.74 0.00 1.77 1.57 0.00 3.04 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.57 0.00 52 I 8.27 5.15 1.84 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 1.00 0.00 0.00 53 R 9.02 4.59 0.00 1.88 2.08 0.00 2.77 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 54 R 8.32 4.72 0.00 1.72 1.90 0.00 3.29 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 55 N 8.63 4.57 0.00 2.60 2.66 0.00 0.00 7.10 7.98 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 56 G 7.99 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 0.00 0.00 0.00 57 F 9.02 4.42 0.00 2.94 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 58 N 6.72 3.79 0.00 2.56 2.19 0.00 0.00 5.86 7.71 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 59 T 8.26 4.19 4.39 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 1.38 0.00 0.00 60 T 8.61 5.03 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 1.14 0.00 0.00 61 F 8.28 5.52 0.00 3.36 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 62 T 9.22 5.14 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 1.23 0.00 0.00 63 V 8.88 5.01 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 1.39 0.00 0.00 1.45 0.00 0.00 64 R 9.20 5.21 0.00 1.88 1.72 0.00 3.27 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 65 K 9.24 4.76 0.00 1.73 1.22 0.00 1.41 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.06 1.21 7.81 66 V 8.26 4.26 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 0.90 0.00 0.00 0.89 0.00 0.00 67 S 8.39 4.23 0.00 3.75 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 68 Y 7.83 3.42 0.00 3.24 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 69 G 9.25 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 70 V 7.77 3.91 2.13 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 1.00 0.00 0.00 0.98 0.00 0.00 71 G 8.34 4.51 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 0.00 0.00 0.00 72 V 9.62 4.83 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 1.22 0.00 0.00 1.00 0.00 0.00 73 E 8.68 5.98 0.00 1.85 1.78 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 2.24 2.20 0.00 74 R 8.52 4.30 0.00 0.73 0.66 0.00 2.57 0.00 0.00 2.92 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 75 I 7.68 4.46 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.40 0.77 0.00 0.00 76 F 8.07 4.98 0.00 1.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.07 0.00 2.14 1.99 0.00 3.69 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 2.03 1.98 0.00 78 L 8.73 4.23 0.00 2.02 2.19 1.48 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.51 4.88 0.00 3.14 3.37 0.00 5.98 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.43 4.14 0.00 4.12 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 81 P 0.00 4.64 0.00 0.96 1.84 0.00 3.45 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 0.00 82 L 7.68 4.61 0.00 1.66 1.66 1.00 0.94 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 83 I 7.20 3.70 1.88 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 0.52 0.95 0.00 0.00 84 Q 7.93 4.35 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.55 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 85 K 7.77 4.27 0.00 1.64 1.66 0.00 1.66 0.00 0.00 1.42 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.37 7.81 86 I 7.70 4.07 1.83 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 1.35 1.14 0.86 0.00 0.00 87 D 8.27 4.94 0.00 2.70 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 88 I 8.04 3.66 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.87 0.00 0.00 89 V 8.74 4.00 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 0.66 0.00 0.00 0.93 0.00 0.00 90 Q 7.84 4.51 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 91 R 7.75 4.55 0.00 1.78 1.32 0.00 3.34 0.00 0.00 3.22 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 92 G 9.83 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.78 3.81 0.00 1.94 1.97 0.00 3.38 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 94 A 7.57 4.40 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 95 R 8.63 4.22 0.00 1.82 2.00 0.00 3.38 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 96 R 7.73 4.52 0.00 1.95 1.90 0.00 2.88 0.00 0.00 3.27 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 97 A 8.56 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.03 4.34 0.00 1.85 1.99 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.41 7.81 99 L 8.45 4.66 0.00 1.67 1.19 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.96 4.26 0.00 3.17 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 0.00 101 F 8.73 4.38 0.00 3.28 3.32 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 0.00 102 I 6.80 3.82 1.67 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.47 0.19 0.00 0.00 103 R 7.82 3.96 0.00 1.90 2.09 0.00 3.36 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.85 0.00 104 N 8.36 4.71 0.00 2.82 2.91 0.00 0.00 7.04 7.89 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 0.00 105 L 8.33 4.45 0.00 1.65 2.00 1.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.47 3.71 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 6.79 4.67 0.00 2.91 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 0.00 108 R 8.29 4.01 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 109 E 7.95 3.93 0.00 2.18 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 0.00 2.37 2.55 0.00 110 I 7.43 3.72 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.77 0.86 0.00 0.00 111 R 7.83 3.91 0.00 1.96 2.01 0.00 3.16 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 112 R 7.94 4.10 0.00 1.98 2.07 0.00 3.03 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 113 K 7.63 4.45 0.00 2.09 2.06 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.77 7.81 114 L 7.87 5.41 0.00 1.55 1.61 0.87 1.01 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 0.00 115 R 7.53 4.41 0.00 1.81 1.42 0.00 3.52 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 116 A 8.39 4.63 1.19 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 0.00 0.00 117 D 8.40 4.65 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.02 3.88 0.00 1.89 2.00 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 1.73 1.73 0.00 119 K 8.10 3.91 0.00 1.82 2.05 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.58 7.81 120 R 7.86 3.99 0.00 2.00 1.99 0.00 3.23 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.07 0.00 121 I 7.96 4.03 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 1.65 0.90 0.91 0.00 0.00 122 D 8.69 4.45 0.00 2.87 2.75 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 0.00 123 Q 7.80 4.05 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 124 D 8.20 4.49 0.00 2.82 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 0.00 125 R 7.87 4.14 0.00 1.82 1.96 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.63 0.00 126 A 8.02 4.37 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 0.00 127 A 8.15 4.77 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 0.00 128 E 8.65 3.83 0.00 2.07 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 2.27 2.67 0.00 129 R 6.92 3.40 0.00 1.85 2.30 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 130 A 8.69 4.62 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 0.00 131 A 8.14 3.94 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 0.00 132 K 8.66 3.85 0.00 1.73 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.57 7.81 133 E 7.77 3.68 0.00 1.93 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 2.40 2.64 0.00 134 E 8.56 4.31 0.00 1.87 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 2.18 2.32 0.00 135 A 8.46 3.65 1.36 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 0.00 0.00 136 Q 8.05 4.36 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 137 K 8.22 4.39 0.00 1.69 1.62 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.43 7.81 *138 A 8.39 4.12 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 * Residues marked with a * may have inaccurate shift predictions.