NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4359 8.3349 115.4112 57.7492 64.4021 172.9513 -1 N 4.3781 8.4437 117.1959 52.8160 40.1604 175.8927 0 A 4.2835 8.3543 124.7558 52.6322 18.7031 180.3048 0 D 4.6035 8.4543 121.3558 54.3322 40.7031 178.8048 3 I 3.8201 7.7575 123.3521 63.5039 38.4699 176.8932 4 V 3.5533 7.8034 118.7209 66.0494 30.8657 177.6948 5 S 4.0988 8.2497 112.4424 61.3862 62.2157 176.2479 6 V 3.6455 7.6189 120.2693 65.7627 31.1681 177.5652 7 A 4.0063 8.0191 119.9030 55.2794 18.3046 179.2455 8 L 4.1419 7.9393 115.5449 56.8133 41.8404 178.5678 9 Q 4.4120 7.3557 116.0427 56.2047 29.7867 176.3707 10 R 4.2666 7.3433 115.5288 56.4694 30.1265 174.6004 11 Y 4.4944 7.5128 115.2104 56.5266 40.0174 173.8384 12 S 4.1731 8.4868 116.7144 57.5116 62.7267 174.6754 13 T 3.7796 7.7138 123.6832 63.3425 68.4658 175.0189 14 K 4.3555 9.4108 125.0614 56.6589 33.7347 176.5246 15 A 4.7303 7.7012 120.4354 50.3444 22.2140 174.9602 16 F 5.1524 9.0681 121.1919 55.9305 41.7974 174.9985 17 D 4.8805 9.0751 122.9380 52.5558 41.8993 175.0728 18 P 4.9641 0.0000 0.0000 63.0686 31.9294 177.2125 19 S 4.2573 8.6370 116.0811 60.5650 63.0168 174.5567 20 K 4.3045 7.5791 119.5108 54.9269 30.5854 176.4270 21 K 4.4526 8.0325 122.8075 54.8940 33.4985 177.0899 22 L 4.3873 8.2230 121.0247 54.6078 42.3126 178.2073 23 T 4.1923 9.7490 113.6591 61.3964 71.0525 175.7357 24 A 4.0153 8.4013 122.8464 54.9247 18.3868 179.6006 25 E 3.9239 8.0776 117.8824 59.3427 29.8528 178.5245 26 E 3.9277 8.4213 118.6240 59.1235 29.6111 179.1724 27 A 3.8580 8.0771 120.8543 55.3707 18.4266 179.5105 28 D 4.3935 7.9416 116.9442 57.2564 40.8434 179.1603 29 K 3.9339 8.1607 119.3429 59.4600 32.1461 179.4290 30 I 3.7666 7.8365 113.1161 63.8658 37.4249 178.2865 31 K 3.9203 7.5929 119.0120 59.1108 31.7775 179.4806 32 T 4.0154 7.6181 116.1213 66.4710 68.2813 176.4703 33 L 4.0055 8.0011 120.9784 58.1588 41.4850 179.7581 34 L 3.4857 7.3124 116.8223 57.3711 41.3440 179.1972 35 Q 4.1372 7.4621 118.1879 59.2355 29.2276 176.9664 36 Y 4.2485 7.9964 114.3711 56.8866 38.6677 175.7386 37 S 4.1981 7.2924 116.0951 57.9436 62.9063 172.3419 38 P 4.9654 0.0000 0.0000 62.8127 32.3039 175.1866 39 S 4.5236 8.0960 109.5791 57.1322 65.1140 174.8442 40 S 4.0873 8.2484 116.7543 60.5735 62.1137 174.8376 41 T 3.3230 8.7119 122.7355 63.0716 65.5387 171.0800 42 N 4.1485 8.4860 118.5582 54.5160 37.8046 175.1183 43 S 4.1582 7.8442 110.0759 58.8935 64.2537 173.8979 44 Q 2.0000 7.2661 120.6520 55.7367 26.9362 173.7551 45 P 4.4631 0.0000 0.0000 60.9829 30.0106 176.3781 46 W 5.5571 7.1323 116.0301 56.2301 31.9360 175.1592 47 H 4.2278 8.5603 119.3646 54.1858 33.0979 171.8454 48 F 5.0290 7.7064 121.3037 55.5949 42.3097 174.2364 49 I 4.1816 8.2490 123.9746 59.4845 39.2677 174.7190 50 V 4.5573 8.2921 127.2244 61.1475 32.8483 174.5136 51 A 4.6070 8.8725 132.1105 50.8322 19.5240 177.4445 52 S 4.3474 8.7569 116.6104 58.3479 65.3691 175.2036 53 T 4.3474 7.4633 111.6549 60.5226 71.3700 175.4614 54 E 3.8985 8.4533 120.8685 59.6141 29.6720 179.1993 55 E 4.0454 8.2321 119.0165 59.0445 29.8004 179.0117 56 G 3.5852 8.2137 105.9132 47.9440 0.0000 176.0360 57 K 4.0415 8.3340 121.5437 58.6334 31.8219 179.4635 58 A 3.9756 7.9725 121.3296 55.1691 18.0838 179.8102 59 R 3.8323 7.6784 115.2749 59.3106 30.3396 179.2901 60 V 3.8777 7.8623 117.2786 66.0865 31.5985 177.9031 61 A 4.0676 8.6552 120.5375 54.8646 17.9345 179.4825 62 K 3.9904 7.9137 117.2358 58.9360 32.0771 178.8785 63 S 4.3982 8.5350 114.3465 59.9585 63.2531 175.0815 64 A 4.5180 8.1032 123.8397 51.5682 18.8350 176.7706 65 A 4.5849 7.3048 121.0351 52.4513 20.8330 180.2635 66 G 3.9170 8.1588 110.4153 47.1404 0.0000 175.0452 67 N 4.5479 8.5864 122.8513 53.7476 38.7013 173.9636 68 Y 4.0407 7.2828 112.6273 57.9885 39.3974 177.3691 69 T 4.2391 8.2861 113.0507 63.7564 68.5259 175.5847 70 F 4.4998 7.6364 115.2316 58.6158 37.3339 175.3255 71 N 4.8576 7.8534 118.9095 53.2528 39.1113 176.5354 72 E 4.1243 8.0267 120.2928 59.1709 30.1568 177.9957 73 R 4.1052 8.1319 118.6447 59.3606 30.2370 179.2592 74 K 4.4954 7.6084 116.7326 56.6548 31.3054 178.7845 *76 L 4.3346 7.9746 120.8042 54.8555 43.5529 178.1389 77 D 4.4917 8.2812 117.9129 56.2738 41.2885 176.8107 78 A 3.7227 6.9903 120.2162 51.6462 18.8475 176.8877 79 S 4.3248 8.7856 117.3329 61.5092 62.5377 174.1898 80 H 5.0742 8.7785 116.2198 53.7733 32.8431 172.3906 81 V 4.7724 8.7726 121.9620 61.0115 34.4992 174.1132 82 V 4.5400 8.5049 127.9082 61.0512 33.9401 174.1785 83 V 4.4785 8.5981 128.5535 61.3214 33.2332 174.2997 84 F 4.7719 9.4062 128.2202 56.6954 40.3758 174.8492 85 C 5.3453 8.8972 121.1496 57.8862 31.8500 173.1750 86 A 5.1661 8.6569 123.5412 50.2083 21.1774 176.9431 87 K 4.3883 8.3550 119.2173 57.0460 32.2655 177.7550 88 T 4.2850 8.3956 119.4879 64.8207 69.0598 174.9207 89 A 4.3108 7.4253 126.0028 50.2966 19.9734 177.2913 *91 D 4.4835 8.5476 118.0388 55.1515 41.6626 175.6232 92 D 4.3970 8.6610 120.4325 57.8686 40.7830 178.9264 93 A 4.0413 8.2025 120.4351 55.3334 18.1694 179.3937 94 W 4.0098 8.0809 125.6252 60.2558 30.7908 178.1848 95 L 4.0196 8.0866 119.1145 57.9248 41.1039 179.0719 96 E 3.8961 8.6672 119.3614 59.3353 29.6704 178.7637 97 R 3.7184 7.9961 118.8414 59.2710 30.0640 178.7393 98 V 3.3207 7.6631 118.3091 65.9411 31.6045 178.4331 99 V 3.7791 7.8459 118.9445 65.0497 31.1222 178.0462 100 D 4.4147 8.3422 119.6245 57.0509 40.6083 178.4724 101 Q 4.0300 7.8998 120.0475 59.1129 29.0505 178.0329 102 E 3.8987 8.3392 119.7846 59.0723 29.3250 178.8731 103 D 4.4994 8.2779 117.9993 57.5450 41.2421 178.2550 104 A 3.9933 8.3092 120.0007 54.9500 18.4256 178.5855 105 D 4.5428 7.9673 115.5728 54.7278 41.2893 176.7860 106 G 3.7988 8.2079 107.7220 46.3820 0.0000 174.7987 107 R 3.9572 7.4709 118.7866 56.2791 30.6204 176.8388 108 F 5.0102 7.5761 116.4242 55.5851 40.9124 175.1492 109 A 4.3440 8.8254 128.8054 53.9739 19.3457 177.3595 110 T 4.7803 7.4932 105.1303 58.6795 73.2025 172.9328 111 P 4.2420 0.0000 0.0000 65.8245 31.3431 178.8796 112 E 3.9311 8.1475 116.8149 58.8940 29.3594 179.0954 113 A 3.9597 7.8568 121.1251 54.9407 18.4627 179.4677 114 K 2.4800 7.5272 117.4048 59.1204 32.0734 178.8257 115 A 3.8353 8.0993 121.0506 55.0287 18.2104 179.5135 116 A 3.8884 7.7847 118.9286 55.0673 18.4255 179.3376 117 N 4.2626 8.1709 115.6998 56.8142 39.0708 176.5434 118 D 4.2944 8.1651 119.5795 57.3078 41.3784 177.9476 119 K 4.0318 8.3311 120.4748 59.5156 32.0569 178.8735 120 G 3.6887 8.3153 105.8684 47.8014 0.0000 175.5344 121 R 4.0493 8.1957 121.7191 59.3983 30.1229 178.7870 122 R 3.9888 8.6317 118.0752 59.2180 29.7323 178.5899 123 F 4.1241 8.3078 119.8847 61.3007 39.4867 176.4899 124 F 3.6629 8.2768 116.0689 60.6597 39.0888 177.4587 125 A 3.9805 8.3470 120.1204 54.9594 18.3536 179.7637 126 D 4.6132 8.1329 117.9943 54.7154 41.1595 178.6604 *128 H 4.4368 8.1968 117.6499 55.7348 30.6360 176.2037 129 R 4.3450 8.0730 114.3326 57.9098 29.8857 177.2491 130 V 3.9717 7.8053 117.1419 64.6691 32.3017 176.8558 131 S 4.1340 7.5487 112.9536 61.1923 62.5850 175.2398 132 L 3.9502 7.5588 119.6660 55.1547 42.3301 176.7342 133 K 3.7730 7.9661 118.1434 57.5515 30.0388 174.3808 134 D 4.8474 8.7464 116.0489 53.4057 43.6103 176.3147 135 D 4.6646 8.3848 117.5957 57.5759 39.5733 177.4993 136 H 4.3329 8.3188 115.7430 58.8115 29.1180 176.4188 137 Q 4.1114 8.3799 119.8134 59.0792 28.8281 177.8947 138 W 4.3929 8.3596 124.9249 58.7466 31.1255 176.8679 *140 A 4.4263 8.0208 121.4374 51.9690 20.0791 179.8251 141 K 4.1018 8.4665 115.5932 59.8120 32.0658 179.4978 142 Q 4.0861 7.7466 117.8356 59.0583 28.5863 179.1519 143 V 3.9410 7.9602 118.8016 66.3239 31.6378 177.5919 144 Y 3.6658 8.2847 116.6430 60.4958 37.5720 177.8848 145 L 3.9941 8.4580 121.8799 58.3239 42.1316 178.3444 146 N 4.4183 8.2208 118.1329 56.0720 38.6600 176.7590 147 V 3.1253 7.4839 119.4107 65.7338 31.5977 178.1731 148 G 3.5905 8.1370 105.4161 47.7580 0.0000 174.9528 149 N 4.2866 8.3883 120.0522 56.3647 38.9922 176.5094 150 F 4.0802 8.8617 122.4718 61.3546 39.4518 176.9440 151 L 3.8800 8.7093 119.0958 57.8064 41.4740 179.3664 152 L 4.0170 7.8753 120.0683 58.0242 41.7615 178.9733 153 G 3.4823 7.7579 104.7201 47.9875 0.0000 175.6039 154 V 3.5002 7.4454 115.2163 63.4361 31.2832 178.4437 155 A 4.1834 7.6267 120.3243 54.1926 18.6368 181.4918 156 A 4.2496 7.6626 120.1437 51.4842 17.9338 178.4615 *158 G 3.7982 7.8165 107.9673 46.1433 0.0000 173.2225 159 L 4.4988 7.7434 119.9256 53.4816 44.0256 175.2573 160 D 5.1392 9.1844 120.6886 53.1023 43.7036 175.4798 161 A 5.8728 8.2958 121.6811 51.5529 23.7346 175.3551 162 V 4.7251 8.1823 117.9258 59.9426 34.7531 171.8470 163 P 4.8122 0.0000 0.0000 62.2845 32.3834 175.3436 164 I 4.6204 9.1197 125.7817 59.6575 39.3324 176.0859 165 E 4.7018 9.2697 125.4125 56.4161 30.9888 177.2021 166 G 3.7552 7.8765 109.0237 43.3040 0.0000 172.4996 167 F 4.1678 6.1624 117.7991 55.8518 40.7654 174.5204 168 D 4.5321 9.1477 121.9351 52.9804 40.8064 176.9060 169 A 4.1482 8.3151 129.7507 55.2317 18.4707 178.4618 170 E 3.9202 8.3122 116.6789 59.7400 29.4731 179.8161 171 V 3.5967 7.9047 117.3670 65.9820 31.4580 177.6574 172 L 4.1020 8.1021 118.9475 58.3437 41.8632 178.4433 173 D 4.5805 8.8074 118.8213 57.3628 40.8241 178.2205 174 A 4.0624 8.0828 121.2630 55.6243 18.1435 179.1179 175 E 3.7646 8.2222 116.1113 58.5887 29.5122 177.6414 176 F 4.6125 7.9680 114.4912 55.9638 39.8157 175.4007 177 G 4.0972 8.1572 109.2920 46.7087 0.0000 175.8328 178 L 4.1287 7.8506 119.7153 57.3551 42.6941 179.8722 179 K 3.8199 8.2848 119.3888 59.5122 32.3236 178.1603 180 E 3.9118 8.2057 117.9950 59.2090 29.6257 177.7336 181 K 4.0687 7.4542 114.6064 57.6171 32.3545 177.7114 182 G 3.5706 8.4175 107.9734 45.3380 0.0000 172.2709 183 Y 5.3990 7.6733 115.2490 56.2057 42.4213 174.7322 184 T 5.0894 9.3418 114.6636 59.4947 71.1879 173.0871 185 S 4.6534 9.5163 123.6094 58.7294 63.5224 173.4322 186 L 4.8592 9.1586 121.1740 56.0157 44.5316 177.2280 187 V 4.8052 7.7037 116.6797 61.1598 35.5360 173.7471 188 V 4.6102 8.6308 126.6810 61.0886 34.3073 174.5232 189 V 5.2914 9.1050 127.9041 59.1931 33.4425 172.5538 190 P 4.6667 0.0000 0.0000 62.2804 32.8019 175.5452 191 V 4.8698 9.8795 123.4011 59.6883 35.0101 175.2135 192 G 4.7874 8.0321 115.3523 46.8677 0.0000 171.8881 193 H 5.5243 8.2582 120.5869 53.7335 32.7794 172.5621 194 H 4.7736 9.8410 118.6779 55.8236 29.4443 175.0526 195 S 4.7677 8.5860 115.3906 56.8795 65.4371 175.2642 196 V 3.9050 8.4211 112.1410 63.1219 31.2535 177.3432 197 E 4.1189 8.2610 119.4250 57.8682 29.3426 176.5554 198 D 4.6027 8.1375 119.7991 53.0364 39.9430 176.3334 199 F 4.2969 8.6083 121.1114 57.8802 38.8429 177.7034 200 N 3.8269 7.9715 119.8370 55.8500 38.5323 176.9597 201 A 2.5800 6.8560 120.4455 54.1783 18.2733 178.2822 202 G 3.8836 7.3338 102.1912 45.2600 0.0000 173.6515 203 L 4.3891 7.3535 120.1116 52.6488 42.6994 175.1694 204 P 4.3324 0.0000 0.0000 62.4661 31.8938 176.7930 205 K 4.2276 8.3490 121.0454 56.4139 32.7436 176.4394 206 S 4.7337 8.2925 114.8867 56.6383 65.1682 173.5353 207 R 4.7254 8.2201 124.4467 54.2992 34.0297 174.9831 208 L 4.1539 8.3734 121.2558 54.0429 42.5328 175.5847 209 P 4.4612 0.0000 0.0000 62.3539 32.2531 177.2309 210 L 4.1596 8.6479 119.8595 57.2503 41.7025 179.2277 211 E 4.0767 8.2340 117.8111 58.9126 29.7988 177.6300 212 T 4.2728 8.2795 115.1055 65.4664 68.8309 175.8879 213 T 4.2831 7.7296 109.3762 61.6213 69.7822 173.5899 214 L 4.8620 8.2259 124.8823 53.3759 44.1907 175.3194 215 T 4.4814 8.4711 122.5786 61.8164 69.6974 173.6548 216 E 4.4510 8.5802 126.6804 55.6930 30.7774 177.2241 217 V 4.0130 8.0321 120.6524 62.2991 31.0340 173.7440 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 -2 S 8.33 4.44 0.00 3.99 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 -1 N 8.44 4.38 0.00 2.81 2.79 0.00 0.00 6.77 6.46 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 A 8.35 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 D 8.45 4.60 0.00 2.46 1.67 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 3 I 7.76 3.82 1.86 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 1.51 1.28 0.91 0.00 0.00 4 V 7.80 3.55 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 0.98 0.00 0.00 0.93 0.00 0.00 5 S 8.25 4.10 0.00 4.32 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 6 V 7.62 3.65 2.23 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 0.99 0.00 0.00 0.99 0.00 0.00 7 A 8.02 4.01 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 8 L 7.94 4.14 0.00 1.82 1.74 0.92 0.70 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 9 Q 7.36 4.41 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 10 R 7.34 4.27 0.00 1.91 1.94 0.00 3.07 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 11 Y 7.51 4.49 0.00 3.02 2.88 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 12 S 8.49 4.17 0.00 3.86 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 13 T 7.71 3.78 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 0.35 0.00 0.00 14 K 9.41 4.36 0.00 1.74 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 15 A 7.70 4.73 1.25 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 16 F 9.07 5.15 0.00 2.97 3.01 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 0.00 0.00 0.00 17 D 9.08 4.88 0.00 2.76 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 18 P 0.00 4.96 0.00 2.25 2.28 0.00 3.47 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 19 S 8.64 4.26 0.00 4.15 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 20 K 7.58 4.30 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.58 7.81 21 K 8.03 4.45 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 22 L 8.22 4.39 0.00 1.62 1.54 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 T 9.75 4.19 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 1.28 0.00 0.00 24 A 8.40 4.02 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 25 E 8.08 3.92 0.00 2.03 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 2.35 2.37 0.00 26 E 8.42 3.93 0.00 2.26 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 2.30 2.31 0.00 27 A 8.08 3.86 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 28 D 7.94 4.39 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 29 K 8.16 3.93 0.00 1.90 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.51 7.81 30 I 7.84 3.77 2.10 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 1.77 0.64 0.84 0.00 0.00 31 K 7.59 3.92 0.00 2.02 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.51 7.81 32 T 7.62 4.02 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 1.16 0.00 0.00 33 L 8.00 4.01 0.00 2.02 1.85 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.31 3.49 0.00 0.94 0.13 0.13 -0.43 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 35 Q 7.46 4.14 0.00 2.21 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 1.96 2.37 0.00 36 Y 8.00 4.25 0.00 3.14 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 37 S 7.29 4.20 0.00 3.99 3.58 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 38 P 0.00 4.97 0.00 2.31 2.15 0.00 3.97 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 2.09 2.03 0.00 39 S 8.10 4.52 0.00 3.73 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 40 S 8.25 4.09 0.00 3.99 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 41 T 8.71 3.32 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 1.30 0.00 0.00 42 N 8.49 4.15 0.00 2.71 2.80 0.00 0.00 7.12 8.18 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 43 S 7.84 4.16 0.00 4.04 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 44 Q 7.27 2.00 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.59 0.00 0.00 0.00 0.00 0.00 2.25 1.99 0.00 45 P 0.00 4.46 0.00 1.86 1.88 0.00 2.71 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.46 0.00 46 W 7.13 5.56 0.00 2.72 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 47 H 8.56 4.23 0.00 1.40 2.20 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 48 F 7.71 5.03 0.00 2.57 2.31 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 49 I 8.25 4.18 1.44 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.42 0.42 0.00 0.00 50 V 8.29 4.56 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.74 0.00 0.00 51 A 8.87 4.61 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 52 S 8.76 4.35 0.00 3.76 3.62 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 53 T 7.46 4.35 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 1.19 0.00 0.00 54 E 8.45 3.90 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 55 E 8.23 4.05 0.00 2.02 1.94 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 2.36 2.36 0.00 56 G 8.21 3.59 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 0.00 57 K 8.33 4.04 0.00 1.77 1.83 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.57 7.81 58 A 7.97 3.98 1.41 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 59 R 7.68 3.83 0.00 2.06 1.85 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 60 V 7.86 3.88 2.21 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 0.97 0.00 0.00 1.00 0.00 0.00 61 A 8.66 4.07 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 62 K 7.91 3.99 0.00 1.97 1.89 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.64 7.81 63 S 8.54 4.40 0.00 4.27 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 64 A 8.10 4.52 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 65 A 7.30 4.58 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 66 G 8.16 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 0.00 0.00 0.00 67 N 8.59 4.55 0.00 2.31 1.74 0.00 0.00 6.61 7.54 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 68 Y 7.28 4.04 0.00 3.04 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 69 T 8.29 4.24 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 1.27 0.00 0.00 70 F 7.64 4.50 0.00 3.21 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 71 N 7.85 4.86 0.00 2.75 2.88 0.00 0.00 6.48 7.30 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 72 E 8.03 4.12 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 73 R 8.13 4.11 0.00 1.95 2.00 0.00 3.30 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 74 K 7.61 4.50 0.00 2.17 1.98 0.00 1.92 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.77 1.59 7.81 *76 L 7.97 4.33 0.00 1.67 1.77 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.28 4.49 0.00 2.93 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 78 A 6.99 3.72 0.27 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 79 S 8.79 4.32 0.00 3.94 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.78 5.07 0.00 3.04 3.09 0.00 5.80 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 81 V 8.77 4.77 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.78 0.00 0.00 82 V 8.50 4.54 1.87 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 -0.04 0.00 0.00 0.73 0.00 0.00 83 V 8.60 4.48 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 0.69 0.00 0.00 0.63 0.00 0.00 84 F 9.41 4.77 0.00 2.71 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 85 C 8.90 5.35 0.00 2.61 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 86 A 8.66 5.17 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 87 K 8.36 4.39 0.00 1.41 1.54 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.22 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.87 1.04 7.81 88 T 8.40 4.28 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 89 A 7.43 4.31 0.96 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 0.00 0.00 *91 D 8.55 4.48 0.00 2.95 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 92 D 8.66 4.40 0.00 2.74 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.20 4.04 1.42 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 94 W 8.08 4.01 0.00 3.71 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 95 L 8.09 4.02 0.00 2.00 1.77 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.67 3.90 0.00 1.98 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 0.00 2.28 2.39 0.00 97 R 8.00 3.72 0.00 1.79 1.63 0.00 2.21 0.00 0.00 2.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.38 0.00 98 V 7.66 3.32 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 0.97 0.00 0.00 0.55 0.00 0.00 99 V 7.85 3.78 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 0.81 0.00 0.00 0.92 0.00 0.00 100 D 8.34 4.41 0.00 2.71 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 0.00 101 Q 7.90 4.03 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 102 E 8.34 3.90 0.00 2.41 1.70 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 2.25 2.43 0.00 103 D 8.28 4.50 0.00 3.19 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 0.00 104 A 8.31 3.99 1.34 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 0.00 0.00 105 D 7.97 4.54 0.00 2.70 2.68 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 0.00 106 G 8.21 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 0.00 0.00 0.00 107 R 7.47 3.96 0.00 1.03 1.31 0.00 2.98 0.00 0.00 2.97 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 108 F 7.58 5.01 0.00 3.04 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 0.00 109 A 8.83 4.34 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 0.00 110 T 7.49 4.78 4.43 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 1.23 0.00 0.00 111 P 0.00 4.24 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 112 E 8.15 3.93 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 113 A 7.86 3.96 1.50 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 0.00 0.00 114 K 7.53 2.48 0.00 1.16 1.63 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.13 0.81 7.81 115 A 8.10 3.84 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 0.00 116 A 7.78 3.89 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.17 4.26 0.00 3.02 2.75 0.00 0.00 6.83 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 0.00 118 D 8.17 4.29 0.00 2.82 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 0.00 119 K 8.33 4.03 0.00 1.85 2.04 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 120 G 8.32 3.69 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 0.00 121 R 8.20 4.05 0.00 2.00 2.16 0.00 3.19 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 1.78 1.85 0.00 122 R 8.63 3.99 0.00 2.00 2.04 0.00 3.22 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 123 F 8.31 4.12 0.00 3.07 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 0.00 124 F 8.28 3.66 0.00 3.25 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.35 3.98 1.51 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 0.00 126 D 8.13 4.61 0.00 2.68 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 *128 H 8.20 4.44 0.00 2.79 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.07 4.35 0.00 1.88 2.06 0.00 3.04 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.52 0.00 130 V 7.81 3.97 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 0.71 0.00 0.00 0.89 0.00 0.00 131 S 7.55 4.13 0.00 3.72 3.63 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 0.00 132 L 7.56 3.95 0.00 1.56 1.65 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.97 3.77 0.00 1.83 1.82 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.46 7.81 134 D 8.75 4.85 0.00 2.73 2.67 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 0.00 135 D 8.38 4.66 0.00 3.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 8.32 4.33 0.00 3.22 3.43 0.00 5.71 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 0.00 137 Q 8.38 4.11 0.00 2.19 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 7.05 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 138 W 8.36 4.39 0.00 3.22 3.34 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 *140 A 8.02 4.43 1.51 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 0.00 141 K 8.47 4.10 0.00 2.03 1.94 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.60 7.81 142 Q 7.75 4.09 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.07 1.92 0.00 143 V 7.96 3.94 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 1.13 0.00 0.00 1.20 0.00 0.00 144 Y 8.28 3.67 0.00 3.20 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 0.00 145 L 8.46 3.99 0.00 1.92 2.03 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.22 4.42 0.00 2.68 2.94 0.00 0.00 6.38 7.04 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 0.00 147 V 7.48 3.13 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -0.47 0.00 0.00 148 G 8.14 3.59 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 0.00 149 N 8.39 4.29 0.00 2.80 3.08 0.00 0.00 6.89 8.56 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 0.00 150 F 8.86 4.08 0.00 3.27 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 0.00 151 L 8.71 3.88 0.00 1.67 1.66 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.88 4.02 0.00 1.77 1.63 0.90 0.94 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 0.00 153 G 7.76 3.48 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 0.00 0.00 0.00 154 V 7.45 3.50 1.77 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 -0.19 0.00 0.00 0.64 0.00 0.00 155 A 7.63 4.18 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 0.00 156 A 7.66 4.25 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 *158 G 7.82 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 0.00 0.00 0.00 159 L 7.74 4.50 0.00 1.62 1.48 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 160 D 9.18 5.14 0.00 2.72 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 0.00 161 A 8.30 5.87 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 0.00 162 V 8.18 4.73 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 163 P 0.00 4.81 0.00 2.09 2.06 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 164 I 9.12 4.62 2.00 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 1.32 0.87 1.04 0.00 0.00 165 E 9.27 4.70 0.00 2.02 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 2.41 2.42 0.00 166 G 7.88 3.76 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 0.00 0.00 0.00 167 F 6.16 4.17 0.00 2.99 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 9.15 4.53 0.00 2.90 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 0.00 169 A 8.32 4.15 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 0.00 170 E 8.31 3.92 0.00 2.24 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 0.00 2.42 2.40 0.00 171 V 7.90 3.60 2.29 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 1.18 0.00 0.00 1.08 0.00 0.00 172 L 8.10 4.10 0.00 1.98 2.06 1.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.81 4.58 0.00 2.95 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 0.00 174 A 8.08 4.06 1.42 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 0.00 175 E 8.22 3.76 0.00 1.99 2.22 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 2.37 1.47 0.00 176 F 7.97 4.61 0.00 3.06 3.01 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 0.00 0.00 0.00 177 G 8.16 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 0.00 0.00 0.00 0.00 178 L 7.85 4.13 0.00 1.80 1.98 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.28 3.82 0.00 1.80 1.82 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 180 E 8.21 3.91 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 181 K 7.45 4.07 0.00 1.94 1.94 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.65 7.81 182 G 8.42 3.57 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 0.00 183 Y 7.67 5.40 0.00 2.75 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 0.00 184 T 9.34 5.09 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 1.31 0.00 0.00 185 S 9.52 4.65 0.00 4.03 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 0.00 186 L 9.16 4.86 0.00 1.71 1.78 1.05 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 187 V 7.70 4.81 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 0.71 0.00 0.00 0.40 0.00 0.00 188 V 8.63 4.61 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 -0.18 0.00 0.00 189 V 9.10 5.29 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 1.61 0.00 0.00 0.92 0.00 0.00 190 P 0.00 4.67 0.00 1.65 1.60 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 191 V 9.88 4.87 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 0.97 0.00 0.00 1.14 0.00 0.00 192 G 8.03 4.79 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 0.00 193 H 8.26 5.52 0.00 3.08 3.15 0.00 5.62 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 0.00 194 H 9.84 4.77 0.00 3.16 3.25 0.00 5.54 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 0.00 195 S 8.59 4.77 0.00 3.98 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 0.00 196 V 8.42 3.90 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 0.75 0.00 0.00 0.96 0.00 0.00 197 E 8.26 4.12 0.00 2.02 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 2.38 2.29 0.00 198 D 8.14 4.60 0.00 2.83 2.64 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 0.00 199 F 8.61 4.30 0.00 3.29 3.23 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 0.00 200 N 7.97 3.83 0.00 2.88 2.77 0.00 0.00 6.74 6.57 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 0.00 201 A 6.86 2.58 0.70 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 0.00 0.00 202 G 7.33 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 7.35 4.39 0.00 1.63 1.55 0.83 1.01 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 0.00 204 P 0.00 4.33 0.00 2.03 1.97 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 205 K 8.35 4.23 0.00 1.74 1.75 0.00 1.92 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.42 7.81 206 S 8.29 4.73 0.00 3.77 3.68 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 0.00 207 R 8.22 4.73 0.00 1.79 1.76 0.00 3.44 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 1.54 1.60 0.00 208 L 8.37 4.15 0.00 1.64 1.61 0.93 1.05 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 0.00 209 P 0.00 4.46 0.00 2.22 2.18 0.00 3.72 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 1.99 0.00 210 L 8.65 4.16 0.00 1.73 1.79 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 211 E 8.23 4.08 0.00 1.93 2.00 0.00 0.00 0.00 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 2.35 0.00 212 T 8.28 4.27 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 213 T 7.73 4.28 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 1.22 0.00 0.00 214 L 8.23 4.86 0.00 1.53 1.73 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 215 T 8.47 4.48 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 1.22 0.00 0.00 216 E 8.58 4.45 0.00 1.96 1.87 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 2.29 2.30 0.00 217 V 8.03 4.01 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 0.62 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.