NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.1125 8.1633 120.7433 55.1657 34.0725 173.7268 2 R 4.8924 9.4489 119.6277 52.7845 33.6336 169.9707 3 V 4.9523 8.7563 122.3316 59.9903 35.8418 174.1308 4 V 4.6870 8.7486 123.7528 61.5842 33.6625 174.0231 5 I 4.9948 8.7175 129.7853 59.7736 39.4461 174.8700 6 Q 5.1781 8.9861 125.9460 53.9904 32.0091 174.6844 7 R 4.6300 8.4462 124.0282 55.9414 31.4583 175.5621 8 V 4.9781 8.9648 119.1317 59.6691 35.3583 176.7574 9 K 4.6504 8.4074 122.6390 58.3205 32.7491 177.1333 10 G 4.4248 7.8135 104.2912 45.2030 0.0000 172.3680 11 A 5.1987 8.6686 121.6977 50.4635 23.2168 175.2895 12 I 4.6800 8.9803 123.5125 59.3174 40.2775 174.3195 13 L 5.1556 9.1545 129.8499 53.3133 44.4998 175.2257 14 S 5.1853 8.7330 118.7704 56.9869 67.0923 173.1256 15 V 4.7996 8.6979 114.2634 59.6641 35.8451 174.2300 16 R 4.6565 8.3613 120.2629 55.6790 30.8491 177.8283 17 K 4.1780 8.8952 127.4977 57.1753 30.9624 175.1589 *25 K 4.3347 7.6265 121.3258 56.3922 34.6568 176.3616 26 E 4.0762 8.1043 118.9671 59.0303 29.8854 176.2921 27 L 4.8077 7.7633 117.7202 54.5010 42.6260 176.0417 28 E 4.7034 9.1871 124.7222 54.1195 32.5093 174.9039 29 I 4.4431 8.5535 128.2999 61.5493 37.3403 175.7091 30 I 4.4538 8.3378 119.7488 60.7669 39.1951 175.6057 31 S 4.7440 7.8119 115.7636 57.6735 65.4526 173.3084 32 E 5.2840 8.5911 123.2134 55.4275 32.3235 173.9230 33 I 4.8490 8.8564 113.8555 58.7415 41.7023 175.1682 34 K 4.5639 8.6370 125.9952 55.7661 30.9687 177.5883 35 N 4.5817 8.5932 124.2217 53.9690 39.5211 174.5058 36 G 4.6805 6.8817 108.0213 46.0592 0.0000 171.3147 37 L 5.3337 8.0884 121.5521 52.9877 46.3457 175.3063 38 I 4.5741 8.3772 122.9308 59.5770 40.1263 173.9622 39 C 5.0141 9.1001 127.5332 57.9875 30.8639 173.6201 40 F 4.7920 8.9691 124.9838 56.7254 39.2644 174.4596 41 L 5.0286 9.6833 128.5080 53.4394 43.9987 175.2847 42 G 4.4599 9.6353 113.9319 44.6325 0.0000 171.7646 43 I 4.9807 8.8097 127.6117 60.2390 39.0262 174.9856 44 H 3.8587 10.1497 128.3740 54.9244 30.4652 175.8484 45 K 3.7808 8.0356 128.4136 59.1393 32.0129 176.5515 46 N 5.0074 8.0581 114.7865 52.7721 39.3021 173.7999 47 D 4.8092 8.0509 118.9043 53.7509 41.5807 177.8181 48 T 4.4011 8.4702 115.3134 60.5144 71.5310 175.3996 49 W 4.7650 8.7858 128.9841 59.4655 30.7427 177.5649 50 E 3.8234 8.1794 118.4364 59.9465 29.0968 178.1880 51 D 4.3954 8.2446 118.2111 57.6272 40.9131 178.6147 52 A 3.7630 7.6073 119.5557 55.4218 18.0947 179.7821 53 L 3.4758 6.9378 116.7781 57.6488 41.6036 179.0885 54 Y 3.9695 7.8243 119.6085 60.3114 38.6247 177.6871 55 I 3.5967 7.6590 120.8306 64.4677 37.2790 178.4206 56 I 3.1532 7.2455 120.4728 63.9895 36.8941 178.3722 57 R 3.7148 7.8862 119.6997 59.4173 29.9231 178.7671 58 K 3.7970 7.6608 117.9785 59.5603 31.8030 178.9711 59 C 4.0913 7.9697 115.8625 63.1697 28.0668 176.0897 60 L 4.1998 8.0932 119.8632 56.4610 41.1075 177.9857 61 N 4.7970 7.6110 112.5200 52.3604 40.5379 174.7340 62 L 3.9398 8.4482 120.7790 54.8526 41.9559 176.5702 63 R 4.8257 8.5639 123.3859 55.6623 29.3922 175.7939 64 L 5.0621 8.7490 121.7610 54.0151 43.8073 176.6636 65 W 4.8173 8.7217 119.1533 54.7870 32.4727 174.5000 66 N 5.0117 8.7752 119.7274 52.4548 39.5952 174.7519 67 N 4.7009 8.8973 122.7792 52.4411 39.5830 175.5692 68 D 4.1183 8.2820 129.3408 54.7635 40.8144 174.9162 69 N 4.3158 9.2781 122.9641 57.2905 38.4909 175.0753 70 K 3.9668 8.1282 119.7090 56.8012 32.1590 176.7743 71 T 4.1410 8.4033 114.4449 61.6052 70.3882 174.4710 72 W 3.7792 7.2025 120.7055 58.4359 27.1250 173.2708 73 D 4.9004 8.0025 117.7179 55.2345 43.3433 177.0792 74 K 4.8654 8.8584 117.9599 54.5334 35.1834 176.0335 75 N 5.7258 9.0253 121.3244 51.0103 39.5717 176.4883 76 V 3.1822 8.6020 118.5306 64.6682 31.3021 178.5295 77 K 3.2490 7.2919 119.2727 59.5507 31.6630 178.2944 78 D 4.2608 8.7888 117.6006 58.2331 40.8736 178.8669 79 L 3.6310 7.2212 119.6175 55.5882 41.5476 177.6926 80 N 4.7376 7.2473 115.2411 54.8559 37.9082 173.3334 81 Y 4.8078 7.2913 114.2004 57.6138 39.5270 174.4489 82 E 4.8871 8.8909 120.4874 55.3365 32.5361 175.2315 83 L 5.1766 8.9635 119.8632 53.0184 45.9320 175.8818 84 L 4.9440 9.1128 125.5984 53.5418 43.9332 175.0898 85 I 4.5035 8.4907 129.0300 60.0745 38.2117 175.6459 86 V 4.4402 9.0754 128.8207 60.6845 33.9365 174.8165 87 S 4.6648 8.6167 122.9898 58.9730 62.8573 174.2561 88 Q 4.6287 9.1497 127.0300 55.4383 30.5054 174.4238 89 F 4.6271 8.5965 120.5916 58.9973 38.7774 178.4066 90 T 3.9083 6.9062 111.2942 63.9706 68.4956 175.7879 91 L 3.9565 7.3661 120.4332 56.8759 41.5829 177.4542 92 F 4.8652 8.2665 116.4398 56.9899 39.9008 175.8898 93 G 3.4703 8.5051 107.6082 46.3829 0.0000 173.4426 94 N 4.5835 9.3053 127.8033 53.1890 39.8406 175.2823 95 T 4.3931 8.2425 114.5038 61.2558 69.7479 175.2345 96 K 3.9526 7.9471 122.1132 59.5314 32.2614 177.0037 97 K 4.0435 7.8268 120.0632 56.4734 32.6586 177.6759 98 G 3.8508 8.7049 115.6073 45.0758 0.0000 171.8139 99 N 4.7628 8.4590 113.1032 52.5531 40.1710 174.5100 100 K 4.2816 7.7954 120.1780 54.1143 32.6961 174.1286 101 P 4.3104 0.0000 0.0000 62.2953 31.9722 175.2751 102 D 4.4299 8.2445 123.3285 53.1451 42.2874 176.4550 103 F 5.1929 8.3980 123.5645 57.7020 39.5822 177.1045 104 H 4.2993 8.1096 120.8260 59.1752 28.7134 176.5322 105 L 4.0324 7.9639 116.4557 55.3257 41.7182 176.4154 106 A 4.4682 7.6223 121.1889 51.1618 19.3859 177.4625 107 K 4.0915 8.0153 120.3106 55.8369 33.3095 176.4692 108 E 3.9390 9.3561 128.6312 57.0650 29.8407 176.6351 109 P 4.2242 0.0000 0.0000 65.3771 31.9139 177.7039 110 N 4.6197 8.0566 114.0095 55.1746 38.7547 176.4078 111 E 4.3165 8.6087 120.1401 58.0655 30.0727 178.0316 112 A 4.2326 8.1200 120.6107 55.2204 18.3882 178.9340 113 L 2.7786 7.3851 117.1652 58.2351 42.0271 179.2308 114 I 3.6887 7.7041 118.8573 64.5699 37.1417 178.1270 115 F 4.4453 8.1835 120.9178 60.7973 39.0937 176.5094 116 Y 4.1701 7.9868 119.5106 60.5258 38.7892 176.9446 117 N 4.2808 8.3966 117.4894 56.0092 38.6206 177.0196 118 K 3.7780 8.1885 121.0731 59.9131 32.2968 178.8745 119 I 3.8217 7.4510 119.3223 64.2871 36.9344 178.6362 120 I 3.7965 7.9736 121.1555 64.3816 36.8802 177.7476 121 D 4.4175 8.1259 119.8076 57.7553 40.7537 178.8259 122 E 4.0191 8.2635 119.2028 59.3462 29.6825 178.6080 123 F 4.1595 8.2417 117.7793 60.7022 38.7812 177.9282 124 K 4.7806 8.0158 117.7942 59.1410 31.9848 178.9429 125 K 4.0056 8.1840 117.6457 60.3406 32.1550 179.0135 126 Q 4.1977 8.6734 117.2246 56.4626 29.1357 176.6804 127 Y 4.8458 8.8219 116.0552 57.6972 38.5351 177.8437 128 N 5.1039 8.4433 120.0850 51.5382 41.5854 173.0821 129 D 4.4938 8.3393 117.4388 55.8328 41.9077 176.9403 130 D 4.5358 7.9482 117.0968 56.1011 41.4363 177.3871 131 K 4.1105 7.7744 117.7324 57.9280 33.2873 176.3948 132 I 4.7051 7.6472 120.9554 59.6665 38.3859 175.0897 133 K 4.7409 9.5080 128.5612 54.5340 34.6852 175.7989 134 I 4.8730 8.3967 116.5438 59.4131 40.6654 174.6555 135 G 4.2076 7.9921 111.5074 44.5832 0.0000 173.1699 136 K 4.4128 8.3176 123.9476 54.1023 32.9743 176.1864 137 F 3.9903 8.8806 129.5185 59.3372 39.6074 175.3120 138 G 3.6715 7.7712 114.6203 45.9493 0.0000 172.9415 139 N 4.8392 7.5125 116.2372 51.4680 40.2006 174.3419 140 Y 4.1678 8.3387 121.2106 58.0957 39.5082 174.8459 141 M 4.9178 7.0547 124.3679 53.4973 36.9465 174.1407 142 N 4.6908 9.1549 119.3718 52.0733 42.0739 173.3054 143 I 4.8753 8.1820 127.2295 58.2764 39.4656 174.9811 144 D 4.4631 8.6535 127.9555 54.4203 41.7642 175.6041 145 V 4.5025 8.3831 123.8228 61.4667 34.0510 175.7205 146 T 4.3977 8.8331 125.8451 62.0413 68.2855 172.6401 147 N 4.5768 8.5274 122.9454 53.4227 39.3613 174.4306 148 D 4.3477 10.4410 125.5751 54.4596 40.5939 173.8324 149 G 3.5983 8.6379 117.2799 44.3730 0.0000 170.3172 150 P 4.5343 0.0000 0.0000 61.3226 33.0181 175.6466 151 V 4.4684 8.1025 117.8929 61.5497 34.4601 173.9893 152 T 5.1522 8.6993 124.1985 61.9064 71.1447 173.3809 153 I 4.5335 9.0049 127.6820 59.6541 40.0175 174.0090 154 Y 5.2170 8.5718 126.4788 55.9125 41.1526 174.5386 155 I 4.3426 7.9229 126.8432 59.3415 41.1503 173.9149 156 D 5.0781 8.3317 126.4599 52.3399 42.6655 175.9930 157 T 4.0316 8.5697 117.9376 65.0777 68.6793 176.1357 158 H 4.2989 8.3139 118.0100 58.3120 28.7956 175.3528 159 D 4.8111 8.2796 119.2145 54.5951 40.7426 175.9810 160 I 4.4723 7.0900 120.9114 60.4460 40.6791 175.4106 161 N 4.4730 8.5038 118.0677 54.1970 38.6017 174.9297 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 8.16 5.11 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.45 4.89 0.00 1.34 1.70 0.00 2.21 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 3 V 8.76 4.95 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 0.70 0.00 0.00 1.05 0.00 0.00 4 V 8.75 4.69 2.26 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 1.04 0.00 0.00 1.07 0.00 0.00 5 I 8.72 4.99 1.89 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 1.26 0.49 0.93 0.00 0.00 6 Q 8.99 5.18 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 7 R 8.45 4.63 0.00 1.61 1.62 0.00 2.21 0.00 0.00 2.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.00 8 V 8.96 4.98 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 0.71 0.00 0.00 0.98 0.00 0.00 9 K 8.41 4.65 0.00 1.64 1.84 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.25 7.81 10 G 7.81 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 11 A 8.67 5.20 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.98 4.68 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 1.29 1.30 0.91 0.00 0.00 13 L 9.15 5.16 0.00 1.62 1.60 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.73 5.19 0.00 3.97 3.90 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 15 V 8.70 4.80 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 0.76 0.00 0.00 0.97 0.00 0.00 16 R 8.36 4.66 0.00 1.75 1.88 0.00 3.16 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 17 K 8.90 4.18 0.00 1.71 2.19 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.32 7.81 *25 K 7.63 4.33 0.00 1.79 1.87 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 E 8.10 4.08 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 2.38 2.33 0.00 27 L 7.76 4.81 0.00 1.61 1.63 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.19 4.70 0.00 2.12 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 2.20 2.26 0.00 29 I 8.55 4.44 1.88 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 1.41 0.66 1.01 0.00 0.00 30 I 8.34 4.45 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.93 0.00 0.00 31 S 7.81 4.74 0.00 3.88 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 5.28 0.00 2.02 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 2.18 2.30 0.00 33 I 8.86 4.85 1.85 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 1.20 0.71 0.93 0.00 0.00 34 K 8.64 4.56 0.00 1.82 1.35 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.37 7.81 35 N 8.59 4.58 0.00 1.47 1.42 0.00 0.00 6.71 7.63 0.00 0.00 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 G 6.88 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.09 5.33 0.00 1.61 1.55 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.38 4.57 1.74 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 1.44 0.94 0.00 0.00 39 C 9.10 5.01 0.00 2.73 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 40 F 8.97 4.79 0.00 3.01 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 41 L 9.68 5.03 0.00 1.87 1.89 1.16 1.06 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 42 G 9.64 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.81 4.98 2.21 0.00 0.00 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 1.76 1.55 1.23 0.00 0.00 44 H 10.15 3.86 0.00 3.16 3.48 0.00 5.63 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 45 K 8.04 3.78 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 46 N 8.06 5.01 0.00 2.81 2.79 0.00 0.00 6.90 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 47 D 8.05 4.81 0.00 2.83 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 48 T 8.47 4.40 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 49 W 8.79 4.76 0.00 3.65 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 50 E 8.18 3.82 0.00 2.02 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 2.47 2.37 0.00 51 D 8.24 4.40 0.00 2.96 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 52 A 7.61 3.76 0.53 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 0.00 0.00 53 L 6.94 3.48 0.00 1.59 1.52 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.82 3.97 0.00 3.01 3.03 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 55 I 7.66 3.60 1.95 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 1.78 0.79 0.99 0.00 0.00 56 I 7.25 3.15 1.51 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 0.34 0.00 0.00 57 R 7.89 3.71 0.00 1.78 1.84 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 58 K 7.66 3.80 0.00 1.69 1.66 0.00 1.55 0.00 0.00 1.42 0.00 0.00 2.45 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.75 0.96 7.81 59 C 7.97 4.09 0.00 3.37 3.17 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 0.00 0.00 0.00 0.00 60 L 8.09 4.20 0.00 1.75 1.63 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.61 4.80 0.00 2.77 2.77 0.00 0.00 7.02 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.45 3.94 0.00 1.77 1.61 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.56 4.83 0.00 1.89 2.05 0.00 3.18 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 64 L 8.75 5.06 0.00 0.68 1.40 0.76 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.72 4.82 0.00 3.45 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 66 N 8.78 5.01 0.00 2.55 2.69 0.00 0.00 6.78 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.90 4.70 0.00 2.95 2.71 0.00 0.00 7.05 8.41 0.00 0.00 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 D 8.28 4.12 0.00 2.80 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 0.00 0.00 0.00 69 N 9.28 4.32 0.00 2.71 2.91 0.00 0.00 6.78 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.13 3.97 0.00 2.01 1.80 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.40 7.81 71 T 8.40 4.14 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 1.10 0.00 0.00 72 W 7.20 3.78 0.00 3.42 3.17 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 0.00 0.00 0.00 0.00 73 D 8.00 4.90 0.00 2.81 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 74 K 8.86 4.87 0.00 1.76 1.64 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.48 7.81 75 N 9.03 5.73 0.00 3.05 3.18 0.00 0.00 6.62 7.36 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 76 V 8.60 3.18 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 0.77 0.00 0.00 1.06 0.00 0.00 77 K 7.29 3.25 0.00 1.92 1.71 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 1.27 7.81 78 D 8.79 4.26 0.00 2.65 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 79 L 7.22 3.63 0.00 0.29 0.13 0.37 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.25 4.74 0.00 2.74 2.92 0.00 0.00 7.20 7.63 0.00 0.00 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 Y 7.29 4.81 0.00 2.58 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 82 E 8.89 4.89 0.00 1.96 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 2.27 2.32 0.00 83 L 8.96 5.18 0.00 1.44 1.28 0.99 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.11 4.94 0.00 1.62 1.42 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.49 4.50 1.78 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.26 0.97 0.00 0.00 86 V 9.08 4.44 1.88 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 0.91 0.00 0.00 0.69 0.00 0.00 87 S 8.62 4.66 0.00 3.52 3.25 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 88 Q 9.15 4.63 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 89 F 8.60 4.63 0.00 3.37 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 90 T 6.91 3.91 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 0.33 0.00 0.00 91 L 7.37 3.96 0.00 1.41 1.48 1.02 0.76 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 92 F 8.27 4.87 0.00 3.33 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 93 G 8.51 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 9.31 4.58 0.00 2.78 2.62 0.00 0.00 6.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.24 4.39 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 1.16 0.00 0.00 96 K 7.95 3.95 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 97 K 7.83 4.04 0.00 1.67 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 98 G 8.70 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 99 N 8.46 4.76 0.00 2.67 2.81 0.00 0.00 6.69 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.80 4.28 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.48 7.81 101 P 0.00 4.31 0.00 1.47 1.72 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 102 D 8.24 4.43 0.00 2.60 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 0.00 103 F 8.40 5.19 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.11 4.30 0.00 3.16 3.36 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.96 4.03 0.00 1.69 1.28 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.62 4.47 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.09 0.00 1.86 1.80 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.49 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.56 1.35 7.81 108 E 9.36 3.94 0.00 2.09 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 2.53 2.30 0.00 109 P 0.00 4.22 0.00 2.26 2.05 0.00 3.61 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 2.07 2.05 0.00 110 N 8.06 4.62 0.00 2.71 2.89 0.00 0.00 6.86 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 0.00 111 E 8.61 4.32 0.00 1.99 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 2.28 2.44 0.00 112 A 8.12 4.23 1.69 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 0.00 0.00 113 L 7.39 2.78 0.00 1.34 1.66 0.52 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.70 3.69 1.90 0.00 0.00 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 1.53 0.30 0.99 0.00 0.00 115 F 8.18 4.45 0.00 3.13 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 0.00 116 Y 7.99 4.17 0.00 3.33 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 0.00 117 N 8.40 4.28 0.00 2.94 2.86 0.00 0.00 6.67 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 0.00 118 K 8.19 3.78 0.00 2.04 1.92 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.83 1.29 7.81 119 I 7.45 3.82 1.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.84 0.00 0.00 120 I 7.97 3.80 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.75 0.88 0.00 0.00 121 D 8.13 4.42 0.00 2.92 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 0.00 122 E 8.26 4.02 0.00 2.45 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 0.00 2.50 2.37 0.00 123 F 8.24 4.16 0.00 3.37 3.03 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 0.00 124 K 8.02 4.78 0.00 1.98 1.90 0.00 1.85 0.00 0.00 1.57 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.39 7.81 125 K 8.18 4.01 0.00 1.96 1.95 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.55 7.81 126 Q 8.67 4.20 0.00 2.01 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 127 Y 8.82 4.85 0.00 2.98 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 0.00 0.00 0.00 128 N 8.44 5.10 0.00 1.88 2.31 0.00 0.00 6.46 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 0.00 129 D 8.34 4.49 0.00 2.62 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 0.00 130 D 7.95 4.54 0.00 2.63 2.65 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 0.00 131 K 7.77 4.11 0.00 1.16 1.69 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 0.62 7.81 132 I 7.65 4.71 1.87 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 1.39 0.93 0.78 0.00 0.00 133 K 9.51 4.74 0.00 1.76 1.66 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.39 7.81 134 I 8.40 4.87 2.12 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 1.33 0.76 0.93 0.00 0.00 135 G 7.99 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.41 0.00 1.80 1.72 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.43 7.81 137 F 8.88 3.99 0.00 2.86 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 0.00 138 G 7.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.51 4.84 0.00 2.93 2.80 0.00 0.00 6.86 6.79 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 0.00 140 Y 8.34 4.17 0.00 2.96 2.87 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 0.00 141 M 7.05 4.92 0.00 1.73 1.67 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 142 N 9.15 4.69 0.00 2.89 2.70 0.00 0.00 7.23 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 0.00 143 I 8.18 4.88 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 1.31 1.84 0.96 0.00 0.00 144 D 8.65 4.46 0.00 2.61 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.50 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 0.87 0.00 0.00 1.09 0.00 0.00 146 T 8.83 4.40 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 0.00 147 N 8.53 4.58 0.00 2.61 2.78 0.00 0.00 7.00 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 0.00 148 D 10.44 4.35 0.00 2.72 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 G 8.64 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.20 2.07 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 151 V 8.10 4.47 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.05 0.00 0.00 152 T 8.70 5.15 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 1.24 0.00 0.00 153 I 9.00 4.53 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.90 0.88 0.00 0.00 154 Y 8.57 5.22 0.00 2.87 2.85 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 0.00 155 I 7.92 4.34 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.99 0.00 0.00 156 D 8.33 5.08 0.00 2.53 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 0.00 157 T 8.57 4.03 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 1.47 0.00 0.00 158 H 8.31 4.30 0.00 3.33 3.40 0.00 5.67 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 0.00 159 D 8.28 4.81 0.00 2.68 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 0.00 160 I 7.09 4.47 1.71 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 0.85 0.32 0.47 0.00 0.00 161 N 8.50 4.47 0.00 2.63 2.66 0.00 0.00 6.61 7.56 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 * Residues marked with a * may have inaccurate shift predictions.