NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2393 8.3044 118.1923 55.7428 32.6188 174.3567 2 S 3.3731 7.5924 111.8307 54.8211 66.4266 172.6399 *3 K 4.1924 9.2038 127.4380 56.0362 31.3620 178.4252 4 G 4.2568 9.1321 105.7122 46.0001 0.0000 176.0326 5 E 4.0043 8.5832 125.6503 59.6066 29.7841 179.3477 6 E 4.1349 8.1267 113.0033 58.4473 29.9381 179.8771 7 L 3.9928 7.6824 115.9850 57.1651 41.7120 177.5677 8 F 5.0410 7.6474 117.2427 57.4648 39.5343 177.3843 9 T 4.2431 8.2729 119.7612 65.6712 69.3725 175.1082 10 G 4.2396 7.7154 111.4625 44.8594 0.0000 172.0377 11 V 4.2200 8.5361 123.8677 62.4303 32.2764 176.5323 12 V 4.6685 9.3582 128.9788 60.5651 34.2286 172.7274 13 P 5.0229 0.0000 0.0000 62.3947 33.2251 174.7349 14 I 5.1045 8.9677 123.1803 59.4064 41.0873 174.0705 15 L 5.1259 8.8216 127.3876 53.2491 44.9027 175.1596 16 V 4.9338 9.9608 126.1125 61.1708 35.0181 174.0000 17 E 5.0998 9.1805 126.1731 54.6953 33.0517 174.2622 18 L 5.2214 9.4609 127.2275 53.1984 45.7813 174.7776 19 D 5.0066 8.7989 124.6313 52.4899 44.1197 175.1316 20 G 4.3751 8.2553 109.9650 43.9372 0.0000 170.6161 21 D 5.2143 8.2488 119.3191 52.2256 44.5983 174.2134 22 V 4.5045 8.9171 126.6521 61.3356 33.9552 174.9324 23 N 4.3051 10.1252 125.6820 54.3347 36.6315 175.7500 24 G 3.8450 8.2550 106.8183 45.3372 0.0000 174.1433 25 H 4.7220 8.4626 118.5924 54.7094 28.8150 175.0522 26 R 4.8028 8.4612 124.0184 56.0956 31.1020 175.8492 27 F 5.2270 7.7601 114.4042 57.3226 41.8058 172.8044 28 S 5.0741 8.2519 114.6003 56.9125 67.3246 173.1417 29 V 5.1562 9.0708 125.7275 61.9557 34.7269 175.0531 30 S 5.3353 9.2001 124.4574 57.1601 66.0522 171.8582 31 G 4.4598 9.7992 110.9067 43.4124 0.0000 171.3808 32 E 4.6234 8.1049 120.5440 54.5437 34.1206 175.8535 33 G 4.1880 7.9908 106.9636 46.7736 0.0000 171.7231 34 E 5.1419 8.4977 117.2511 54.9369 33.5922 174.6537 35 G 3.4906 9.1791 107.8496 44.3377 0.0000 171.2346 36 D 5.2574 9.1372 122.7070 51.5249 42.0517 175.8203 37 A 4.5076 9.0492 128.1758 55.1063 19.0206 179.9469 38 T 3.7549 8.2690 111.7072 66.5085 68.4349 174.4277 39 Y 4.5504 8.0551 114.7840 56.8623 38.8597 175.6069 40 G 4.5700 8.0636 108.0017 46.3562 0.0000 172.9979 41 K 4.4847 8.0154 120.5419 54.9702 34.2509 175.4769 42 L 4.9127 8.0237 125.4237 53.4946 46.4072 175.2162 43 T 4.8761 8.9237 120.2419 61.8234 71.8046 173.0644 44 L 5.0058 8.9961 125.9486 52.6751 46.8477 175.5955 45 K 4.7228 8.1779 121.1981 54.7917 35.2951 174.7949 46 F 5.2186 8.8213 126.0924 55.8440 41.9213 174.7502 47 I 5.0381 9.0196 123.3411 59.7618 40.7201 174.3449 48 C 4.8231 9.4288 128.2080 58.4103 31.5537 174.1733 49 T 4.0755 8.7972 117.5364 63.4477 68.9852 175.5115 50 T 4.4783 8.0727 112.2899 61.3223 70.3589 172.9715 51 G 4.5399 6.6699 112.5518 45.5576 0.0000 177.9278 52 K 4.5019 8.5892 125.8584 52.0082 33.0092 175.7043 53 L 3.7876 8.2339 126.3441 53.3212 42.4838 175.3897 54 P 4.1654 0.0000 0.0000 65.0427 31.7541 176.3795 55 V 3.9798 6.4916 110.9201 58.9233 34.1980 172.3308 56 P 4.6766 0.0000 0.0000 61.3528 32.5153 176.1844 57 W 4.4056 9.0169 123.6899 59.9911 28.8901 176.6721 58 P 4.7308 0.0000 0.0000 66.2367 30.5839 178.2875 59 T 4.3493 8.0700 106.5697 63.7257 69.0529 175.5835 60 L 4.5217 9.3375 122.1038 55.4401 41.2507 178.3992 61 V 3.4369 7.5658 119.6817 66.5833 31.1135 178.1585 62 T 4.1800 8.0710 107.0566 64.8229 68.7836 176.3170 63 T 4.1922 7.3261 114.9425 66.1992 69.3200 178.2338 64 L 4.2400 8.0210 122.0774 53.8493 41.9170 178.6902 *68 V 4.0444 7.4689 109.6954 61.5480 32.8960 177.2715 69 Q 3.9483 7.5810 119.5572 57.7849 29.0935 178.7106 70 C 4.1740 7.7595 112.0730 60.0254 29.9271 174.1627 71 F 4.6303 7.7627 118.6801 57.7614 39.0001 175.6076 72 S 4.5589 7.6983 118.0904 58.6654 63.4872 173.8645 73 R 4.4635 8.8750 124.8806 56.0088 31.2362 174.4147 74 Y 4.7181 8.5714 124.3966 55.2987 39.7194 174.0355 75 P 4.3611 0.0000 0.0000 62.5790 32.5118 176.5690 76 D 4.5242 8.7083 121.6842 57.9045 41.4114 178.5990 77 H 4.3144 8.3940 113.4315 57.8660 28.6329 175.3488 78 M 4.8203 8.6145 118.4967 54.8417 31.6266 177.8335 79 K 4.0499 8.1995 121.9832 59.7423 32.2841 179.1755 80 Q 3.9974 7.9887 115.6739 58.3176 28.5236 176.4911 81 H 4.7207 7.5386 114.2343 55.5753 28.7808 175.3576 82 D 3.7284 7.4187 122.1048 53.1206 39.0317 176.4283 83 F 4.0094 8.0234 126.0460 60.6060 39.7556 176.3778 84 F 4.1114 7.3382 118.8049 60.6140 38.8337 177.6901 85 K 4.0591 8.2368 119.8757 58.8611 31.5108 179.3841 86 S 4.1258 7.3042 112.2403 60.3465 63.2020 175.3729 87 A 4.1965 7.3220 122.6882 52.1743 18.5185 176.8790 88 M 4.6070 6.9689 117.3606 53.6095 33.1377 174.8777 89 P 4.7351 0.0000 0.0000 64.5443 32.3668 178.0811 90 E 3.8541 8.4239 118.9407 59.8585 29.8227 175.9921 91 G 3.7807 9.7892 104.3266 45.0110 0.0000 171.3900 92 Y 5.3301 7.7990 114.7051 56.3769 42.0122 173.4791 93 V 4.8682 9.3806 121.1437 61.3957 33.9638 174.0051 94 Q 5.2735 9.5428 129.5666 54.5123 31.3773 173.9446 95 E 5.4609 9.4553 125.8330 55.0973 33.2093 175.1990 96 R 5.8341 8.6473 119.3567 55.9176 35.6780 174.1014 97 T 4.8786 8.5783 117.2373 61.8666 72.3094 172.8590 98 I 4.4853 8.4669 127.2074 59.4987 40.2568 174.5728 99 F 4.7795 8.6571 126.6419 56.1327 40.7696 175.4425 100 F 4.9340 8.9812 124.1530 55.9342 39.6423 174.9056 101 K 4.0964 8.7676 124.6842 56.9923 32.5220 175.7380 102 D 4.4547 8.8370 127.0093 54.6877 38.8282 172.4597 103 D 4.3075 7.8186 117.9023 53.7458 43.9849 173.3544 104 G 2.9238 7.5938 106.5047 45.0692 0.0000 172.3212 105 N 5.7711 8.1745 115.1346 51.6144 41.2381 173.0779 106 Y 5.6012 9.1924 117.4793 56.6608 41.0823 174.9924 107 K 5.1874 8.9355 121.4497 54.8941 35.9559 175.4561 108 T 5.2346 9.0778 114.4524 59.8964 72.6004 172.7429 109 R 5.0862 9.1580 123.7374 54.6933 33.3692 173.8882 110 A 5.2707 9.0466 126.2944 50.7323 23.6380 174.4671 111 E 5.0556 9.1631 118.1151 54.6338 33.7852 175.3969 112 V 4.9251 8.3910 117.7123 59.4159 34.9726 174.9520 113 K 4.5211 8.4909 123.0604 56.0524 36.4793 174.1905 114 F 4.6789 8.4605 119.8263 56.9250 40.0742 176.4543 115 E 4.5108 10.0347 125.7193 55.1407 29.9346 177.4609 116 G 4.0392 8.1341 117.6800 46.7273 0.0000 171.9816 117 D 4.8374 8.9707 123.5204 52.9598 39.6239 175.3580 118 T 4.5914 7.8198 117.6147 62.3261 70.7219 173.5294 119 L 4.0775 8.8670 129.3778 54.2602 43.3980 175.2892 120 V 4.7394 8.8815 127.1401 61.1529 34.2850 173.8971 121 N 5.1880 9.0929 126.9725 52.0441 40.4901 172.3863 122 R 4.8398 8.7371 127.4013 54.9153 31.9249 175.0559 123 I 5.2219 8.9087 126.5856 59.5120 41.9438 173.6814 124 E 5.0384 9.6375 126.7594 54.3115 32.2303 174.3632 125 L 5.2098 8.6402 128.0587 53.0867 45.9598 174.9357 126 K 4.7413 9.4165 126.6839 54.7602 35.5257 174.7110 127 G 4.9281 9.5101 116.0763 44.6700 0.0000 172.1742 128 I 5.1137 8.6158 116.8418 59.9620 41.6630 175.0981 129 D 4.6326 8.9112 120.8106 55.2593 37.8437 174.0176 130 F 4.3251 8.8762 119.0102 56.8019 39.4585 175.7087 131 K 4.1427 9.0806 128.0061 56.6607 32.2818 178.4639 132 E 4.0941 9.0624 121.0406 58.1681 29.8261 173.4441 133 D 5.0901 7.9914 116.7668 53.3816 40.4375 175.2332 134 G 4.4093 7.5083 111.7277 45.3523 0.0000 173.8708 135 N 4.3083 8.8419 115.4802 56.7574 38.7223 177.4102 136 I 3.5580 7.6107 116.9733 64.3990 37.4358 177.7142 137 L 4.0160 7.9753 119.2457 56.8773 41.9569 178.1369 138 G 3.9784 7.5527 107.4805 51.0100 0.0000 176.5110 139 H 3.9526 6.8508 111.3365 55.3733 24.7916 174.7127 140 K 4.5881 9.0361 121.0282 55.8561 33.8927 175.6822 141 L 4.6657 7.7725 120.4349 53.9214 43.1528 176.4026 142 E 4.3123 8.9114 122.2143 55.8849 31.1559 176.1910 143 Y 4.6700 8.5201 124.7059 56.0564 37.4495 173.8599 144 N 4.9494 7.3733 117.8580 53.3704 39.9766 173.6747 145 Y 4.4333 8.1081 115.1255 57.5213 41.4221 173.9550 146 I 4.2695 7.8252 126.5740 59.1895 38.6356 175.0865 147 S 4.9527 8.5645 120.5557 59.1452 62.4619 173.3638 148 H 4.9228 8.6300 123.9670 54.6441 31.8827 172.9780 149 N 6.1447 8.8802 115.5797 50.5797 41.9994 174.7564 150 V 4.0529 7.7094 120.3759 60.2027 34.1980 174.5948 151 Y 4.9459 8.5645 123.3132 56.4459 37.3246 172.7298 152 I 4.0501 8.2471 121.0850 61.8763 38.5522 174.8480 153 T 4.8183 8.3916 124.7360 61.1010 71.0307 174.2414 154 A 4.2346 8.7749 128.3769 52.3089 19.3309 176.8839 155 D 4.5949 8.1911 121.0168 51.9581 41.6500 175.8281 156 K 4.0755 8.4988 127.8368 58.0747 32.2892 179.8690 *157 Q 3.9966 8.3268 119.0364 58.6426 27.9251 180.4553 *158 K 4.1117 8.3858 118.0170 54.8252 31.5438 179.6584 159 N 4.7192 8.1448 115.5562 55.0402 39.3533 173.4413 160 G 4.6169 7.4178 104.7492 44.9781 0.0000 175.3449 161 I 4.8567 7.8336 121.5364 59.4553 41.1764 172.0705 162 K 5.2412 8.8779 119.8217 54.8484 36.4669 175.8079 163 A 4.9879 9.4321 124.2547 50.7380 23.2981 174.4666 164 H 4.9170 8.5037 118.3980 54.4915 33.8549 172.2546 165 F 4.8017 7.1601 118.2653 56.4700 41.4095 172.3145 166 K 5.1196 8.8251 117.5026 55.3402 36.0593 175.4509 167 I 4.3445 9.3538 121.8362 59.5183 41.1217 174.6036 168 R 4.8748 8.2235 124.7808 54.9195 31.8227 175.1376 169 H 4.8629 9.1880 121.7555 53.8055 31.4514 173.6009 170 N 5.1528 8.7908 121.6225 53.3912 39.6378 174.3348 171 I 4.6115 8.3875 125.0346 60.3294 38.5741 176.7507 172 E 4.3866 8.8585 126.3782 59.1262 29.3567 178.8913 173 D 4.3644 8.0679 114.9419 54.7900 39.2285 177.2063 174 G 4.0559 8.6584 109.4553 45.2848 0.0000 175.0525 175 S 4.6249 9.7284 120.9335 58.3988 63.2738 173.1697 176 V 4.7587 7.9950 116.6386 62.2299 34.4867 172.9097 177 Q 4.5465 9.7712 130.8044 54.9023 30.7321 173.8636 178 L 4.9905 8.5714 127.9372 53.8230 44.4484 174.8811 179 A 4.5286 9.0275 127.2086 50.2076 22.0763 174.7702 180 D 4.7800 9.0659 124.1186 53.9488 42.3225 175.1274 181 H 4.8118 8.8836 124.6919 55.3219 30.5299 174.5025 182 Y 4.8498 8.8071 119.6423 56.2510 41.5053 174.3706 183 Q 5.1800 9.2266 122.8274 54.3315 32.1351 174.1065 184 Q 5.1055 9.2679 123.8368 54.4585 32.4502 173.9541 185 N 5.7165 8.9427 122.1437 51.8972 42.6875 173.3838 186 T 5.1158 8.7574 114.4273 58.8109 71.9920 171.8221 187 P 4.8290 0.0000 0.0000 63.2932 31.6933 176.4340 188 I 3.8718 8.6823 124.6720 64.7609 37.5418 177.1230 189 G 3.9686 7.8920 109.4647 44.9835 0.0000 171.9818 190 D 4.7570 8.5570 116.9114 52.8065 40.7601 176.1728 191 G 3.9667 7.9858 108.6917 44.8955 0.0000 170.6721 192 P 4.5952 0.0000 0.0000 62.4211 32.2233 175.9005 193 V 4.4667 7.8023 112.0977 59.8495 35.7427 174.5227 194 L 4.3842 8.3326 122.2645 53.8413 42.5117 176.5866 195 L 4.5520 8.2181 122.9331 51.9895 42.8414 174.5402 196 P 4.3999 0.0000 0.0000 62.5550 31.3556 175.9110 197 D 4.5018 8.5594 122.8902 53.6827 41.7470 175.7395 198 N 4.8322 8.5705 120.6568 54.1740 37.1695 174.6927 199 H 5.3151 8.2948 124.4652 55.6898 32.4804 172.1708 200 Y 5.3736 7.5534 113.7500 57.6731 41.0573 172.9484 201 L 5.0897 7.9931 118.6819 52.9756 45.3358 175.7289 202 S 4.9807 9.3518 120.1764 57.7715 63.6614 172.9128 203 T 5.2302 9.0257 124.4235 61.9439 72.1571 173.8703 204 Q 4.4494 9.0575 122.9194 55.2270 30.6614 174.3760 205 S 4.9072 8.7207 120.8010 58.4037 64.8594 174.4814 206 A 4.3402 8.4364 123.3078 51.5043 21.3063 175.4791 207 L 4.8653 8.2466 121.7719 54.9541 43.4980 176.4915 208 S 4.8347 8.9179 115.8893 57.8387 66.7268 172.5959 209 K 4.8346 8.6507 117.7568 54.8235 35.4932 176.3592 210 D 4.7608 8.7123 121.7111 51.3343 41.4515 174.3347 211 P 4.2805 0.0000 0.0000 66.0361 31.0446 177.4317 212 N 4.4577 8.2288 112.2124 53.4695 38.4555 174.0446 213 E 4.3726 8.9329 121.5501 54.4255 29.8048 175.8013 214 K 4.1957 8.4683 126.0906 57.9124 32.7885 177.8158 215 R 4.2948 7.9815 117.9909 54.9832 31.0858 175.6327 216 D 4.7675 8.6400 120.9666 55.0862 42.1408 174.7218 217 H 5.4611 8.8166 120.3648 54.6753 32.5503 172.1574 218 M 4.4430 7.9785 117.3300 52.4704 35.1378 173.9544 219 V 4.3088 8.7173 126.9512 62.0481 33.5634 174.3825 220 L 5.0939 9.1148 129.3351 53.2394 45.3112 174.5137 221 L 5.1765 8.5722 128.7193 53.2647 45.0812 174.7957 222 E 5.0433 8.3538 121.5126 55.3729 33.3827 173.8888 223 F 5.3588 8.6743 120.4735 55.7972 42.4214 174.5740 224 V 4.8959 9.0773 122.6563 61.5090 35.0417 173.9848 225 T 5.0396 9.0711 121.4083 60.2192 71.1295 172.1901 226 A 4.6214 8.3329 129.6335 50.0956 19.5208 175.3548 227 A 4.1079 8.2529 126.2011 49.6354 21.6033 176.5242 228 G 4.1720 8.2092 107.9034 48.2863 0.0000 172.8545 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 2.13 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 S 7.59 3.37 0.00 3.95 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 *3 K 9.20 4.19 0.00 1.81 1.28 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.02 7.81 4 G 9.13 4.26 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 0.00 5 E 8.58 4.00 0.00 2.02 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 2.41 2.31 0.00 6 E 8.13 4.13 0.00 2.03 1.86 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 2.23 1.91 0.00 7 L 7.68 3.99 0.00 1.42 0.99 0.75 0.46 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 8 F 7.65 5.04 0.00 3.05 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 9 T 8.27 4.24 4.47 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 1.25 0.00 0.00 10 G 7.72 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 0.00 0.00 0.00 0.00 11 V 8.54 4.22 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 0.80 0.00 0.00 1.02 0.00 0.00 12 V 9.36 4.67 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 1.18 0.00 0.00 1.12 0.00 0.00 13 P 0.00 5.02 0.00 2.17 2.15 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.03 0.00 14 I 8.97 5.10 1.78 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.80 1.01 0.00 0.00 15 L 8.82 5.13 0.00 1.68 1.48 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.96 4.93 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.08 0.00 0.00 17 E 9.18 5.10 0.00 1.91 1.82 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 2.24 2.39 0.00 18 L 9.46 5.22 0.00 1.65 1.51 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.80 5.01 0.00 2.51 2.37 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 20 G 8.26 4.38 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 0.00 21 D 8.25 5.21 0.00 2.67 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.92 4.50 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 0.60 0.00 0.00 0.84 0.00 0.00 23 N 10.13 4.31 0.00 2.90 2.84 0.00 0.00 7.36 6.98 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 24 G 8.25 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 25 H 8.46 4.72 0.00 3.27 3.28 0.00 5.81 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.46 4.80 0.00 1.72 1.82 0.00 3.36 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 27 F 7.76 5.23 0.00 2.96 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 28 S 8.25 5.07 0.00 3.76 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 29 V 9.07 5.16 2.25 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 1.44 0.00 0.00 1.10 0.00 0.00 30 S 9.20 5.34 0.00 3.43 3.64 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 0.00 0.00 0.00 0.00 31 G 9.80 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 32 E 8.10 4.62 0.00 1.76 1.71 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 2.23 2.21 0.00 33 G 7.99 4.19 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 0.00 34 E 8.50 5.14 0.00 2.03 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 2.07 2.16 0.00 35 G 9.18 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 9.14 5.26 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.05 4.51 1.53 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 38 T 8.27 3.75 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 0.61 0.00 0.00 39 Y 8.06 4.55 0.00 3.11 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 40 G 8.06 4.57 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 0.00 0.00 0.00 41 K 8.02 4.48 0.00 2.05 1.71 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.14 0.88 7.81 42 L 8.02 4.91 0.00 1.55 1.31 0.92 0.05 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 43 T 8.92 4.88 4.10 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 1.10 0.00 0.00 44 L 9.00 5.01 0.00 1.31 0.62 0.69 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.18 4.72 0.00 1.66 1.43 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.30 7.81 46 F 8.82 5.22 0.00 2.80 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 47 I 9.02 5.04 1.98 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 1.15 1.30 1.01 0.00 0.00 48 C 9.43 4.82 0.00 3.04 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 49 T 8.80 4.08 4.29 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 1.34 0.00 0.00 50 T 8.07 4.48 4.29 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 1.29 0.00 0.00 51 G 6.67 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.50 0.00 1.78 1.60 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 0.97 7.81 53 L 8.23 3.79 0.00 1.02 0.99 -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.17 0.00 1.93 1.99 0.00 2.68 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.79 0.00 55 V 6.49 3.98 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 0.38 0.00 0.00 0.56 0.00 0.00 56 P 0.00 4.68 0.00 2.14 1.95 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 57 W 9.02 4.41 0.00 3.64 3.35 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 58 P 0.00 4.73 0.00 2.32 2.48 0.00 3.79 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 59 T 8.07 4.35 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 1.18 0.00 0.00 60 L 9.34 4.52 0.00 1.91 1.76 0.66 0.68 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 61 V 7.57 3.44 1.96 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 0.58 0.00 0.00 0.79 0.00 0.00 62 T 8.07 4.18 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 1.42 0.00 0.00 63 T 7.33 4.19 4.50 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 1.26 0.00 0.00 64 L 8.02 4.24 0.00 1.32 1.31 0.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 *68 V 7.47 4.04 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.19 0.00 0.00 69 Q 7.58 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.93 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 70 C 7.76 4.17 0.00 2.33 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 71 F 7.76 4.63 0.00 3.31 3.10 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 72 S 7.70 4.56 0.00 4.04 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 73 R 8.87 4.46 0.00 2.15 1.93 0.00 3.01 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 74 Y 8.57 4.72 0.00 2.82 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 75 P 0.00 4.36 0.00 2.24 2.18 0.00 3.58 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 76 D 8.71 4.52 0.00 2.79 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 77 H 8.39 4.31 0.00 3.33 3.44 0.00 5.52 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.61 4.82 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.99 0.00 79 K 8.20 4.05 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.57 7.81 80 Q 7.99 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.15 0.00 0.00 0.00 0.00 0.00 2.33 1.95 0.00 81 H 7.54 4.72 0.00 3.14 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.42 3.73 0.00 1.97 2.18 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 83 F 8.02 4.01 0.00 2.97 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 0.00 0.00 0.00 0.00 84 F 7.34 4.11 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 85 K 8.24 4.06 0.00 1.63 1.79 0.00 1.50 0.00 0.00 1.35 0.00 0.00 2.92 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.47 1.30 7.81 86 S 7.30 4.13 0.00 3.94 3.95 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 87 A 7.32 4.20 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 88 M 6.97 4.61 0.00 2.36 2.44 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.16 3.04 0.00 89 P 0.00 4.74 0.00 2.25 2.14 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 90 E 8.42 3.85 0.00 2.13 2.19 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 2.35 2.43 0.00 91 G 9.79 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 92 Y 7.80 5.33 0.00 3.44 3.18 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 93 V 9.38 4.87 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 1.11 0.00 0.00 1.00 0.00 0.00 94 Q 9.54 5.27 0.00 2.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.50 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 95 E 9.46 5.46 0.00 1.95 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 2.26 2.31 0.00 96 R 8.65 5.83 0.00 1.83 1.82 0.00 3.23 0.00 0.00 3.39 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 97 T 8.58 4.88 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 98 I 8.47 4.49 1.83 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 0.64 0.55 0.19 0.00 0.00 99 F 8.66 4.78 0.00 3.02 2.92 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 0.00 100 F 8.98 4.93 0.00 3.28 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 0.00 101 K 8.77 4.10 0.00 1.78 1.78 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 102 D 8.84 4.45 0.00 2.84 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 0.00 103 D 7.82 4.31 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 7.59 2.92 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 0.00 0.00 0.00 0.00 105 N 8.17 5.77 0.00 2.42 2.68 0.00 0.00 7.32 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 0.00 106 Y 9.19 5.60 0.00 2.95 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 0.00 107 K 8.94 5.19 0.00 1.75 1.67 0.00 1.49 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.38 7.81 108 T 9.08 5.23 4.29 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 1.28 0.00 0.00 109 R 9.16 5.09 0.00 1.86 1.78 0.00 3.10 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 110 A 9.05 5.27 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 0.00 111 E 9.16 5.06 0.00 1.88 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 2.28 0.00 112 V 8.39 4.93 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 0.71 0.00 0.00 0.33 0.00 0.00 113 K 8.49 4.52 0.00 1.80 1.87 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.35 7.81 114 F 8.46 4.68 0.00 2.99 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 0.00 115 E 10.03 4.51 0.00 1.89 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 2.25 2.37 0.00 116 G 8.13 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 0.00 117 D 8.97 4.84 0.00 2.79 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 0.00 118 T 7.82 4.59 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 1.27 0.00 0.00 119 L 8.87 4.08 0.00 1.21 1.58 0.88 0.02 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 0.00 120 V 8.88 4.74 2.15 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 0.87 0.00 0.00 0.98 0.00 0.00 121 N 9.09 5.19 0.00 2.91 2.75 0.00 0.00 6.46 7.28 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 0.00 122 R 8.74 4.84 0.00 2.03 1.78 0.00 3.20 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 123 I 8.91 5.22 1.88 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 1.16 0.58 0.92 0.00 0.00 124 E 9.64 5.04 0.00 2.05 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 2.19 2.08 0.00 125 L 8.64 5.21 0.00 1.60 1.19 0.60 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.42 4.74 0.00 1.75 1.61 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.33 7.81 127 G 9.51 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.62 5.11 1.93 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 0.74 0.98 0.00 0.00 129 D 8.91 4.63 0.00 2.72 2.76 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 0.00 0.00 0.00 130 F 8.88 4.33 0.00 3.23 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 0.00 131 K 9.08 4.14 0.00 1.84 1.76 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.40 7.81 132 E 9.06 4.09 0.00 1.98 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 2.23 1.89 0.00 133 D 7.99 5.09 0.00 3.00 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 0.00 134 G 7.51 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.84 4.31 0.00 2.80 2.90 0.00 0.00 6.88 7.58 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 0.00 136 I 7.61 3.56 1.83 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 0.58 0.05 0.43 0.00 0.00 137 L 7.98 4.02 0.00 1.89 1.75 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.55 3.98 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 0.00 0.00 0.00 139 H 6.85 3.95 0.00 3.18 3.58 0.00 5.68 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 0.00 140 K 9.04 4.59 0.00 1.75 1.82 0.00 1.92 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.54 7.81 141 L 7.77 4.67 0.00 1.58 1.65 0.90 1.00 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 0.00 142 E 8.91 4.31 0.00 2.20 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 2.37 2.50 0.00 143 Y 8.52 4.67 0.00 3.05 2.92 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 0.00 144 N 7.37 4.95 0.00 2.85 2.82 0.00 0.00 6.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.11 4.43 0.00 2.82 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 0.00 146 I 7.83 4.27 1.77 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 1.42 0.69 0.62 0.00 0.00 147 S 8.56 4.95 0.00 4.00 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 0.00 148 H 8.63 4.92 0.00 3.15 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.88 6.14 0.00 2.41 1.98 0.00 0.00 7.05 7.68 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 0.00 150 V 7.71 4.05 1.16 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 0.65 0.00 0.00 0.80 0.00 0.00 151 Y 8.56 4.95 0.00 3.24 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 0.00 152 I 8.25 4.05 1.59 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.06 1.01 0.00 0.00 153 T 8.39 4.82 4.38 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 1.26 0.00 0.00 154 A 8.77 4.23 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 0.00 155 D 8.19 4.59 0.00 2.48 2.46 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 0.00 156 K 8.50 4.08 0.00 1.72 1.84 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.06 7.81 *157 Q 8.33 4.00 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.07 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 *158 K 8.39 4.11 0.00 1.69 1.83 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.25 7.81 159 N 8.14 4.72 0.00 3.16 2.99 0.00 0.00 6.82 7.96 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 0.00 160 G 7.42 4.62 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 0.00 0.00 0.00 161 I 7.83 4.86 1.64 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.39 0.20 0.00 0.00 162 K 8.88 5.24 0.00 1.66 1.70 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.52 7.81 163 A 9.43 4.99 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 0.00 164 H 8.50 4.92 0.00 3.06 3.01 0.00 5.83 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 F 7.16 4.80 0.00 3.08 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 0.00 166 K 8.83 5.12 0.00 1.69 1.82 0.00 1.50 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.42 7.81 167 I 9.35 4.34 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.07 0.46 0.00 0.00 168 R 8.22 4.87 0.00 1.67 1.84 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 169 H 9.19 4.86 0.00 3.23 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.79 5.15 0.00 2.86 2.79 0.00 0.00 7.10 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 0.00 171 I 8.39 4.61 2.13 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 1.28 0.79 0.94 0.00 0.00 172 E 8.86 4.39 0.00 2.21 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 2.36 2.13 0.00 173 D 8.07 4.36 0.00 2.77 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 0.00 174 G 8.66 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 0.00 0.00 0.00 0.00 175 S 9.73 4.62 0.00 4.04 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 0.00 176 V 7.99 4.76 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 0.69 0.00 0.00 0.95 0.00 0.00 177 Q 9.77 4.55 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 178 L 8.57 4.99 0.00 1.75 1.50 0.91 0.95 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 0.00 179 A 9.03 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 D 9.07 4.78 0.00 2.83 2.78 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 0.00 181 H 8.88 4.81 0.00 1.40 2.36 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.81 4.85 0.00 2.92 2.94 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 0.00 183 Q 9.23 5.18 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 184 Q 9.27 5.11 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 185 N 8.94 5.72 0.00 2.39 2.53 0.00 0.00 6.46 7.18 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 0.00 186 T 8.76 5.12 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 1.31 0.00 0.00 187 P 0.00 4.83 0.00 2.18 2.23 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.37 0.00 188 I 8.68 3.87 1.98 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 1.23 0.59 0.95 0.00 0.00 189 G 7.89 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 0.00 190 D 8.56 4.76 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 0.00 191 G 7.99 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 0.00 192 P 0.00 4.60 0.00 2.16 2.05 0.00 3.47 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 193 V 7.80 4.47 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 0.72 0.00 0.00 1.15 0.00 0.00 194 L 8.33 4.38 0.00 1.65 1.66 0.87 0.82 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 0.00 195 L 8.22 4.55 0.00 1.63 1.60 0.91 1.17 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 0.00 196 P 0.00 4.40 0.00 2.21 2.32 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.84 0.00 197 D 8.56 4.50 0.00 2.39 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 N 8.57 4.83 0.00 2.67 2.87 0.00 0.00 6.75 8.16 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 0.00 199 H 8.29 5.32 0.00 3.08 3.25 0.00 5.30 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 7.55 5.37 0.00 2.50 2.76 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 0.00 0.00 0.00 201 L 7.99 5.09 0.00 1.46 1.48 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 202 S 9.35 4.98 0.00 3.96 3.80 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 0.00 203 T 9.03 5.23 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 1.21 0.00 0.00 204 Q 9.06 4.45 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 205 S 8.72 4.91 0.00 3.61 3.61 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 0.00 0.00 0.00 0.00 206 A 8.44 4.34 1.28 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 0.00 0.00 207 L 8.25 4.87 0.00 0.36 1.08 0.59 0.62 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 0.00 208 S 8.92 4.83 0.00 3.86 3.98 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 0.00 209 K 8.65 4.83 0.00 1.56 1.70 0.00 1.34 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.20 7.81 210 D 8.71 4.76 0.00 2.72 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 0.00 211 P 0.00 4.28 0.00 2.21 2.22 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 212 N 8.23 4.46 0.00 3.15 2.87 0.00 0.00 6.72 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 0.00 213 E 8.93 4.37 0.00 1.49 1.63 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 1.71 2.21 0.00 214 K 8.47 4.20 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.39 7.81 215 R 7.98 4.29 0.00 2.09 1.91 0.00 3.20 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 216 D 8.64 4.77 0.00 2.84 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 0.00 217 H 8.82 5.46 0.00 3.23 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 7.98 4.44 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 219 V 8.72 4.31 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 0.87 0.00 0.00 0.92 0.00 0.00 220 L 9.11 5.09 0.00 1.83 1.60 0.84 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.57 5.18 0.00 1.70 1.42 0.52 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 222 E 8.35 5.04 0.00 2.08 1.86 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 2.06 2.16 0.00 223 F 8.67 5.36 0.00 3.02 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 0.00 224 V 9.08 4.90 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 0.89 0.00 0.00 0.92 0.00 0.00 225 T 9.07 5.04 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 1.23 0.00 0.00 226 A 8.33 4.62 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 8.25 4.11 0.59 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 0.00 0.00 228 G 8.21 4.17 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.