NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2744 8.1400 114.8192 58.0863 64.5984 173.7245 2 L 4.1441 8.4464 120.2784 57.4637 41.6558 177.4863 3 L 4.0212 8.4179 119.4241 57.8547 42.0088 178.7639 4 E 4.0574 8.0520 117.8915 59.5107 29.5640 178.9210 5 F 4.6743 8.5973 120.8534 61.5638 39.4614 177.4046 6 G 3.5447 8.7286 105.6807 47.4814 0.0000 175.6735 7 K 4.0798 7.9895 121.5912 59.5658 32.1818 178.9137 8 M 4.1041 8.2302 119.0671 58.4368 31.8265 178.7283 9 I 3.6075 7.7652 119.9024 64.3006 37.2862 178.2487 10 L 4.4308 7.8291 122.3786 57.8525 41.7142 178.9268 11 E 4.0470 8.2189 117.4336 59.1211 29.4379 178.5373 12 E 4.3066 8.3653 117.9373 57.8729 30.0339 177.7882 13 T 4.5217 8.3230 107.9299 60.5748 70.7858 175.5502 14 G 3.7587 7.9779 109.5337 45.8052 0.0000 173.0377 *16 K 4.6344 7.4106 117.5149 56.0708 33.0098 174.5836 17 L 4.5739 8.0470 120.3450 53.5228 42.9728 177.5245 18 A 4.0263 8.8380 126.7883 54.8484 18.3522 177.1591 19 I 4.6872 7.6636 115.3611 59.1577 38.8849 173.8921 20 P 4.9493 0.0000 0.0000 62.5918 32.2790 177.6644 21 S 4.0872 7.4822 114.3745 60.6268 62.7247 174.8282 22 Y 4.5834 8.1684 114.7219 57.4133 38.7550 176.0867 23 S 4.4303 8.0057 114.9897 58.3278 64.8387 174.2292 24 S 4.9896 7.5447 115.5515 57.0095 62.9730 172.3228 25 Y 4.8129 8.4015 123.6989 57.3896 42.4286 175.2403 26 G 3.5158 8.3849 117.3748 46.1058 0.0000 172.4059 27 C 4.4116 8.8769 114.1578 58.3525 40.9674 174.5596 28 Y 4.1228 8.4939 114.9576 58.0631 39.4329 175.7846 29 C 4.7219 8.2386 118.7324 56.4720 39.7695 173.1119 30 G 3.5195 6.6245 118.2834 44.9085 0.0000 171.3200 31 W 5.0123 8.4082 124.8039 56.1340 30.4580 176.6200 32 G 3.5432 8.6638 109.1295 48.5979 0.0000 175.7996 33 G 4.2150 7.0886 106.9006 44.9551 0.0000 173.4501 34 K 4.4137 6.8649 115.7872 56.3376 35.7125 174.9049 35 G 3.8792 8.8075 111.8259 44.3066 0.0000 171.6837 36 T 4.4421 8.0520 115.3284 60.8095 70.0226 172.8532 37 P 4.5091 0.0000 0.0000 63.2194 31.9220 176.6628 38 K 3.8544 9.5314 123.3351 58.8518 32.4432 176.3447 39 D 4.4819 7.1658 115.4184 51.2896 42.0217 174.7696 40 A 4.0078 8.8482 119.4023 56.2275 18.1686 179.9860 41 T 3.9607 7.9516 113.6935 66.9276 68.5710 176.2401 42 D 4.5032 8.6711 119.9482 57.4040 41.1721 178.5381 43 R 4.0281 8.1429 118.7645 59.2064 30.0553 178.2597 44 C 4.2997 8.2324 116.5587 60.3335 41.4200 175.5890 45 C 4.4042 8.2538 117.9171 59.8147 39.5339 175.8150 46 F 3.7816 8.3591 122.3512 61.3068 38.8369 177.3998 47 V 3.2971 7.9720 117.8578 66.0698 31.2363 177.4769 48 H 3.7939 7.9181 117.9999 59.0128 29.5706 177.0774 49 D 4.1645 7.9872 120.7637 57.5520 40.4567 178.0962 50 C 4.0746 7.4427 115.7226 59.8209 34.4974 175.0130 51 C 4.2490 8.1252 120.3444 60.0359 44.4291 175.3449 52 Y 4.3270 7.8365 118.3770 61.0418 37.2125 178.7439 53 G 3.7304 8.1023 105.4762 46.9233 0.0000 174.3394 54 N 4.7655 7.6904 116.3372 52.8141 40.1524 175.2967 55 L 4.7752 7.4821 120.0569 52.4472 41.6612 174.3366 56 P 4.2231 0.0000 0.0000 65.8770 32.1905 178.7715 *59 D 4.6778 7.8517 114.4014 54.3334 42.5759 175.5317 *61 C 5.2441 7.6282 116.2727 57.1685 42.1810 172.5123 *67 N 4.6166 7.9626 117.5255 52.6227 38.6169 172.2804 68 P 3.9757 0.0000 0.0000 64.9244 31.8224 178.4399 69 K 3.9601 8.1690 117.8278 58.9378 31.9363 176.9878 70 S 4.5516 7.8315 108.2359 57.5157 63.9299 173.2012 71 D 4.5419 8.2913 121.9367 53.6664 40.2176 175.4260 72 R 4.4522 8.3207 126.2562 55.0597 31.3524 175.5039 73 Y 4.9784 7.3320 118.6781 55.1522 41.4983 174.0147 74 K 4.9601 8.7009 117.7758 54.9125 35.4288 175.2614 75 Y 5.4404 8.4225 120.7423 55.4452 41.5195 173.7306 76 K 4.6631 9.3049 119.4034 55.3855 37.0886 174.6969 77 R 5.1654 8.5323 118.8937 54.5271 31.8540 176.3328 78 V 4.2786 8.6703 124.0393 62.0569 34.2147 174.7524 79 N 4.2487 9.9542 124.9266 54.6442 37.1920 175.0568 80 G 3.9510 8.5948 104.3183 44.8304 0.0000 174.0182 81 A 4.7447 7.7067 122.6510 50.1355 21.2191 175.8574 82 I 4.5193 8.1004 120.9993 61.2499 38.1708 175.8123 83 V 4.3575 9.1407 126.8258 61.2199 34.2586 173.7276 84 C 4.9234 8.8800 126.1356 56.0746 40.3952 173.5932 85 E 4.2873 8.5760 124.2506 55.7016 30.3503 177.3943 86 K 3.8178 8.6749 124.1123 56.7847 33.2089 175.4500 *88 G 4.3340 8.3047 115.8489 45.3890 0.0000 172.4967 89 T 4.1718 8.5700 112.9102 61.2079 71.0225 175.4080 90 S 4.0555 8.5691 115.6777 61.9936 62.3210 177.1066 91 C 4.3067 8.0800 118.5554 60.0090 38.6058 175.7899 92 E 3.9900 8.2529 120.2517 59.3150 29.0406 179.0099 93 N 4.1933 8.4584 116.8905 56.5850 38.6883 177.7523 94 R 3.8810 8.0494 119.2322 59.2528 30.1028 179.3596 95 I 3.7433 7.7577 119.7747 64.3213 36.9826 177.6130 96 C 3.2517 7.6474 119.3654 59.3754 42.5907 175.5649 97 E 3.6593 8.0672 120.0991 59.2725 29.0640 178.7708 98 C 4.1534 7.9214 116.8383 60.0059 41.1090 175.8414 99 D 3.5497 7.9734 120.5092 56.8040 40.3573 178.6772 100 K 3.7221 8.1105 120.2078 59.4706 32.2362 178.6180 101 A 3.8521 7.8209 120.7257 55.0252 18.1532 179.5346 102 A 3.4248 7.5808 118.4972 55.0261 18.4358 179.7181 103 A 3.6289 7.8922 119.4066 55.2272 18.4316 180.0071 104 I 3.6148 7.6038 118.3254 64.4761 36.9433 177.6673 105 C 4.1552 7.7372 118.2358 59.7107 38.0189 175.3424 106 F 4.6114 8.0159 119.5442 60.6842 38.6219 177.4891 107 R 3.9296 8.0660 118.1024 59.8124 29.7047 178.5773 108 Q 4.1606 8.4874 116.3597 58.0407 28.8382 177.1623 109 N 5.0290 7.7182 115.7013 52.8846 39.1274 176.6276 110 L 4.1786 7.9358 121.8838 57.6390 41.7851 179.2959 111 N 4.4896 8.2941 115.1388 54.9746 37.3616 175.5681 112 T 4.5576 7.8176 107.0690 61.1198 69.1583 173.1478 113 Y 4.2295 7.9644 125.4718 57.6784 39.3135 174.6424 114 S 4.8523 8.7920 121.3797 56.1777 66.0646 175.2298 115 K 4.1463 8.6433 121.8000 58.2212 32.1243 178.8599 116 K 3.6488 7.8160 119.7726 59.0602 32.2601 176.6049 117 Y 4.4115 7.2458 114.3621 57.6604 37.9129 175.1472 118 M 4.5118 7.4424 120.2788 55.8681 33.1196 176.0172 119 L 3.6293 8.3478 120.4865 55.9414 39.9220 174.9272 120 Y 4.1361 7.7511 117.9035 56.2442 40.0035 173.0095 121 P 3.8145 0.0000 0.0000 62.7124 32.1024 176.4948 122 D 4.0855 8.5929 122.6377 57.1664 41.1956 177.8387 *124 F 4.8296 7.8219 110.4272 56.3123 39.4706 175.0181 125 L 4.3104 7.0031 120.4056 54.9979 41.5693 176.0969 126 C 4.9130 8.0515 116.6157 54.8100 38.1984 173.2237 127 K 4.6504 8.3611 122.9717 55.3145 35.7691 176.9996 128 G 4.0002 9.5282 107.1078 45.1383 0.0000 172.0014 129 E 4.9821 8.1673 115.1579 54.3028 32.3642 175.2242 130 L 4.5959 8.5230 121.6835 52.7362 42.4848 176.3576 131 K 4.0658 8.3998 124.6449 56.2537 32.7981 176.6670 *133 C 4.9760 8.6145 116.4760 55.8274 42.9154 173.5206 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 S 8.14 5.27 0.00 4.18 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.45 4.14 0.00 2.11 1.87 1.09 0.52 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 3 L 8.42 4.02 0.00 1.80 1.72 0.93 0.87 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 4 E 8.05 4.06 0.00 1.94 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 0.00 1.66 2.26 0.00 5 F 8.60 4.67 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 6 G 8.73 3.54 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 7 K 7.99 4.08 0.00 2.06 2.24 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.56 7.81 8 M 8.23 4.10 0.00 2.06 2.30 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.90 0.00 9 I 7.77 3.61 1.82 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 0.75 0.00 0.00 10 L 7.83 4.43 0.00 1.78 1.84 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.22 4.05 0.00 2.19 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 2.41 2.71 0.00 12 E 8.37 4.31 0.00 1.95 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 2.45 2.41 0.00 13 T 8.32 4.52 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 1.24 0.00 0.00 14 G 7.98 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 *16 K 7.41 4.63 0.00 1.93 1.66 0.00 1.44 0.00 0.00 1.01 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.28 7.81 17 L 8.05 4.57 0.00 1.77 1.66 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.84 4.03 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 19 I 7.66 4.69 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.82 1.02 0.00 0.00 20 P 0.00 4.95 0.00 2.24 2.32 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 21 S 7.48 4.09 0.00 3.88 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.17 4.58 0.00 2.67 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 23 S 8.01 4.43 0.00 3.99 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 24 S 7.54 4.99 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.40 4.81 0.00 2.94 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 26 G 8.38 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.88 4.41 0.00 2.89 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 28 Y 8.49 4.12 0.00 3.16 3.11 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 0.00 0.00 0.00 0.00 29 C 8.24 4.72 0.00 3.23 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 6.62 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 8.41 5.01 0.00 3.51 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.66 3.54 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 33 G 7.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 6.86 4.41 0.00 1.69 1.56 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.66 7.81 35 G 8.81 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 36 T 8.05 4.44 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 1.13 0.00 0.00 37 P 0.00 4.51 0.00 1.89 1.93 0.00 3.37 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.69 0.00 38 K 9.53 3.85 0.00 0.79 0.74 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.11 0.25 7.81 39 D 7.17 4.48 0.00 2.78 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 40 A 8.85 4.01 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 41 T 7.95 3.96 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 0.85 0.00 0.00 42 D 8.67 4.50 0.00 2.94 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 43 R 8.14 4.03 0.00 2.11 1.99 0.00 3.16 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 44 C 8.23 4.30 0.00 3.55 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.25 4.40 0.00 3.30 3.41 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 46 F 8.36 3.78 0.00 2.59 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 47 V 7.97 3.30 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 0.90 0.00 0.00 0.97 0.00 0.00 48 H 7.92 3.79 0.00 3.11 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.99 4.16 0.00 2.72 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 50 C 7.44 4.07 0.00 2.74 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 51 C 8.13 4.25 0.00 2.95 2.96 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 52 Y 7.84 4.33 0.00 3.14 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 53 G 8.10 3.73 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 0.00 0.00 0.00 54 N 7.69 4.77 0.00 2.81 2.83 0.00 0.00 6.78 8.11 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 55 L 7.48 4.78 0.00 1.63 1.53 0.89 0.84 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 56 P 0.00 4.22 0.00 2.32 2.11 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 *59 D 7.85 4.68 0.00 2.79 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 *61 C 7.63 5.24 0.00 3.03 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 *67 N 7.96 4.62 0.00 2.79 2.74 0.00 0.00 7.66 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 3.98 0.00 1.26 0.49 0.00 3.39 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.43 0.00 69 K 8.17 3.96 0.00 1.79 2.02 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.54 7.81 70 S 7.83 4.55 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 71 D 8.29 4.54 0.00 2.84 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 72 R 8.32 4.45 0.00 1.81 1.86 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 73 Y 7.33 4.98 0.00 3.07 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 74 K 8.70 4.96 0.00 1.74 1.96 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 75 Y 8.42 5.44 0.00 3.11 3.11 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 0.00 0.00 0.00 0.00 76 K 9.30 4.66 0.00 1.79 2.02 0.00 1.29 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.43 7.81 77 R 8.53 5.17 0.00 1.73 1.93 0.00 3.38 0.00 0.00 3.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 78 V 8.67 4.28 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 1.06 0.00 0.00 0.95 0.00 0.00 79 N 9.95 4.25 0.00 2.87 2.84 0.00 0.00 7.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.59 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 0.00 0.00 0.00 81 A 7.71 4.74 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 82 I 8.10 4.52 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.74 0.00 0.00 83 V 9.14 4.36 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 1.08 0.00 0.00 0.96 0.00 0.00 84 C 8.88 4.92 0.00 2.95 2.96 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 85 E 8.58 4.29 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 86 K 8.67 3.82 0.00 1.76 1.71 0.00 1.77 0.00 0.00 2.07 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.39 7.81 *88 G 8.30 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 0.00 0.00 0.00 0.00 89 T 8.57 4.17 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 1.27 0.00 0.00 90 S 8.57 4.06 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.08 4.31 0.00 3.00 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 92 E 8.25 3.99 0.00 2.19 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 0.00 2.52 2.39 0.00 93 N 8.46 4.19 0.00 2.87 2.80 0.00 0.00 7.03 7.31 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 94 R 8.05 3.88 0.00 1.86 1.92 0.00 3.16 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 95 I 7.76 3.74 1.89 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 1.20 0.66 0.99 0.00 0.00 96 C 7.65 3.25 0.00 1.75 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 97 E 8.07 3.66 0.00 2.05 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 2.40 2.41 0.00 98 C 7.92 4.15 0.00 3.17 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.97 3.55 0.00 2.72 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 0.00 100 K 8.11 3.72 0.00 1.69 1.83 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.34 7.81 101 A 7.82 3.85 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 0.00 102 A 7.58 3.42 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.89 3.63 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 0.00 104 I 7.60 3.61 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.90 0.00 0.00 105 C 7.74 4.16 0.00 3.00 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 0.00 106 F 8.02 4.61 0.00 3.00 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 0.00 107 R 8.07 3.93 0.00 1.90 2.11 0.00 3.34 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 108 Q 8.49 4.16 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 109 N 7.72 5.03 0.00 2.96 2.87 0.00 0.00 6.85 6.02 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 0.00 110 L 7.94 4.18 0.00 1.78 1.74 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.29 4.49 0.00 2.85 2.99 0.00 0.00 5.82 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.82 4.56 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 1.26 0.00 0.00 113 Y 7.96 4.23 0.00 2.94 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.79 4.85 0.00 3.93 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 0.00 115 K 8.64 4.15 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.54 7.81 116 K 7.82 3.65 0.00 1.40 1.21 0.00 1.42 0.00 0.00 0.75 0.00 0.00 2.62 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.69 1.14 7.81 117 Y 7.25 4.41 0.00 1.57 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 0.00 118 M 7.44 4.51 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 119 L 8.35 3.63 0.00 1.73 1.70 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.75 4.14 0.00 2.98 2.93 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 0.00 121 P 0.00 3.81 0.00 0.98 0.67 0.00 2.35 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 122 D 8.59 4.09 0.00 2.70 2.72 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 0.00 0.00 0.00 0.00 *124 F 7.82 4.83 0.00 3.21 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 0.00 125 L 7.00 4.31 0.00 1.13 1.59 0.17 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.05 4.91 0.00 3.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.36 4.65 0.00 1.79 1.67 0.00 1.68 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.45 1.55 7.81 128 G 9.53 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.17 4.98 0.00 2.12 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 2.21 2.37 0.00 130 L 8.52 4.60 0.00 1.83 1.72 0.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.40 4.07 0.00 1.83 1.77 0.00 1.74 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.71 1.40 7.81 *133 C 8.61 4.98 0.00 3.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.