NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.6301 8.0748 116.7769 63.7938 70.1998 172.8190 3 N 4.8656 9.5318 122.9721 53.8543 41.2782 173.4784 4 I 4.9101 7.9672 118.9297 59.3200 41.5059 174.2637 5 I 4.9265 8.8831 126.8495 59.2166 41.3609 173.4118 6 K 5.1373 9.3057 131.2209 54.7334 34.8819 174.5732 7 I 5.1625 8.9503 127.7500 59.5761 40.3505 174.4506 8 R 5.3750 9.7882 126.6829 54.5392 33.3899 173.8852 9 A 5.2144 9.5835 127.0085 50.2773 22.8433 174.8154 10 S 4.9693 8.5573 115.1221 56.5830 66.4505 172.6959 11 V 4.5449 9.2129 127.5047 60.9449 33.6083 174.2564 12 F 5.2206 8.3363 121.8378 55.4291 42.0538 173.2861 13 I 4.2785 8.8934 121.5426 58.8668 38.6955 174.9474 14 P 5.2513 0.0000 0.0000 63.7465 31.3993 178.1169 *16 S 4.2518 8.1872 118.2854 57.8101 65.4579 173.8633 17 W 5.6999 7.9531 116.6513 54.7240 32.9793 175.4692 18 T 4.3951 9.4390 114.4559 61.5115 69.4728 173.5483 19 E 4.2531 8.7639 121.2135 55.6524 30.2014 176.9680 20 A 4.2920 8.5930 125.1935 52.5997 19.4198 176.8870 21 K 4.5595 8.4701 121.1284 54.8238 36.2165 173.5446 *23 D 4.1230 8.1780 118.7877 55.0527 42.2383 175.5995 *25 E 4.2602 8.8063 116.9792 55.8715 31.0595 176.9397 26 T 4.3331 7.5506 105.6639 60.5860 70.3558 175.3549 27 G 3.9048 8.2767 109.6576 45.5246 0.0000 173.3568 28 Q 4.4822 7.7326 118.1608 55.3137 30.0237 175.3153 29 V 4.4752 8.2564 122.8278 61.1679 34.0247 174.2317 30 I 5.0409 8.9995 128.1142 59.2141 41.3294 173.8319 31 Q 5.0041 8.5340 125.4988 54.5847 32.4560 173.9292 32 F 5.4765 9.4231 119.4465 55.7454 42.1047 174.7222 33 E 3.5689 9.2560 123.8081 56.3609 29.9567 176.9460 34 G 4.1037 8.1297 115.4101 45.5744 0.0000 172.6105 35 D 4.6401 8.8179 118.5056 52.8221 42.2251 177.0358 36 S 3.9219 7.9969 113.9523 57.8628 60.4825 170.8987 37 R 4.6063 7.0505 115.4730 54.7472 33.0698 175.1836 38 E 4.7599 8.0892 118.0227 55.2626 31.8171 175.4911 39 F 4.2509 8.7999 118.8291 58.4830 39.6982 174.8547 40 T 4.2044 8.0942 116.4413 60.7845 70.4738 171.8071 41 P 3.6259 0.0000 0.0000 63.4158 31.4177 176.0133 42 H 4.7402 7.1102 114.7413 56.2069 29.1828 174.9371 43 A 4.5459 7.5659 119.2506 51.5708 19.5550 177.1981 44 V 4.2466 7.4514 116.6705 64.5795 31.9097 175.7726 45 N 4.2846 9.2118 122.3293 54.1264 36.5370 174.7832 46 T 3.9074 7.0572 112.8732 63.6416 67.4624 174.7502 *48 R 4.2508 7.6860 120.2792 55.7327 32.3435 175.6052 49 S 4.6778 7.5485 111.2488 57.2960 67.4670 176.0325 50 R 3.9297 9.1510 122.7198 58.9042 30.9146 176.8757 51 V 5.0257 7.7112 117.9734 60.9142 35.2958 173.8538 52 E 5.3522 9.4773 124.6373 54.9148 33.4855 174.0444 53 Q 5.1099 9.5447 122.8018 54.8025 33.2804 173.1280 54 E 5.3874 9.6963 124.9875 54.7083 33.4387 174.6529 55 V 4.7552 8.8995 124.3964 61.0527 34.4471 174.3581 56 V 4.8639 8.8297 127.8092 61.1268 34.0436 174.2894 57 V 4.3976 8.7340 128.8428 60.3076 33.6773 174.4857 58 D 5.2565 9.0344 124.9500 52.6675 42.7525 175.9545 59 F 4.9020 9.7222 125.2520 58.9450 38.9934 176.4161 60 Y 4.5544 8.6436 119.9522 59.1229 39.1229 176.1932 61 K 3.9963 8.3281 116.0076 55.5450 33.3931 175.8117 62 Q 3.0937 8.0247 118.4379 56.5813 26.7797 172.0013 63 E 4.7397 8.6148 118.0302 54.4502 34.9953 175.5498 64 V 4.4661 8.2078 122.4156 61.2652 33.1833 174.8296 65 F 5.2404 8.7811 126.7191 56.1450 41.9237 174.8871 66 S 5.2842 8.5655 113.9939 57.3067 66.1524 172.5784 67 Y 4.9964 9.2991 122.0827 55.9673 42.2189 173.8031 68 A 4.8452 7.7876 126.2373 50.3085 22.3899 174.5322 69 N 4.8788 9.0867 119.3388 52.5845 42.9744 173.2474 70 T 4.9810 8.3865 113.1208 60.0076 71.9238 173.7165 71 G 4.2210 8.4028 110.6633 44.4515 0.0000 173.1611 72 I 4.2235 8.1107 120.6261 61.2755 38.1004 176.1764 73 T 4.5421 8.9180 123.9561 62.9082 70.4287 174.0591 74 T 5.2776 8.5782 121.7639 61.8711 72.5280 172.3612 75 E 4.5564 8.9442 125.2551 54.7249 32.1383 174.9070 76 K 4.5889 8.7886 125.7626 54.8733 34.0983 174.9326 77 V 4.4924 8.2815 128.3013 61.2496 33.7999 174.3825 78 I 4.4842 8.3381 130.1443 60.1353 38.3694 176.3907 79 S 4.6046 8.9246 124.1445 57.2423 63.4619 173.7890 80 P 4.4566 0.0000 0.0000 65.0091 31.0942 177.0476 81 D 4.7031 7.8807 115.5058 52.7321 39.9144 175.4438 82 G 4.2104 8.5626 110.8669 46.1115 0.0000 175.2114 83 S 4.2580 8.3541 114.5360 58.5532 63.9138 174.0996 84 V 4.8965 8.2536 115.1696 59.9094 34.4150 175.0456 85 N 4.9402 8.7317 120.4453 51.8607 42.7160 173.5122 86 K 5.6446 8.6722 123.1319 54.4475 34.1994 176.1536 87 R 4.9599 8.5659 122.2275 54.5697 34.0390 174.6025 88 T 5.6721 7.9438 110.5362 59.1193 71.9623 172.9130 89 G 4.3249 8.5701 109.6947 44.6948 0.0000 170.6552 90 K 4.9091 8.4000 119.6848 54.0174 34.4110 175.6416 91 A 3.9893 8.9403 130.1687 52.5905 18.8271 176.8643 92 S 4.2964 8.4160 115.4920 58.5947 63.4587 173.9423 93 T 4.4294 8.1974 114.6875 61.3862 68.8550 176.1030 94 E 4.0121 8.1561 124.6382 58.8644 29.9659 177.1203 95 N 4.9079 8.0598 115.6188 52.8255 39.3542 173.3690 96 I 4.6631 7.6141 119.7334 59.8931 38.7723 175.3218 97 V 4.6252 8.8783 119.8186 59.8766 36.4531 174.5382 98 C 5.1254 8.6007 121.1640 58.1840 33.9666 172.7646 99 T 4.6597 8.9097 115.8650 60.0934 72.8307 173.0967 100 D 4.4749 8.7552 117.1064 55.1934 38.0687 173.9423 101 I 4.0475 7.9932 119.7146 61.8713 37.7547 176.0004 102 V 4.4622 9.0772 127.4879 60.8504 34.1854 174.2513 103 W 5.2670 9.0159 127.3457 55.4005 31.6963 175.0093 104 N 5.0582 8.8777 118.7375 52.0300 39.7842 174.1497 105 S 4.2873 8.9076 113.3686 61.9652 63.2588 176.2635 106 G 3.7958 8.4919 109.1105 46.3038 0.0000 173.3057 107 G 4.3084 7.0470 108.4211 45.6581 0.0000 171.2128 108 V 4.9246 8.3257 121.4993 60.4509 35.2298 174.3456 109 Q 5.0725 8.9347 121.4012 54.3910 32.7743 174.3851 110 F 5.2681 7.7347 115.2609 56.2978 42.2858 172.2461 111 K 5.5206 9.0611 120.2842 54.0464 35.4834 174.3824 *113 S 4.8086 8.5038 112.6761 58.7372 64.8155 172.9012 114 A 4.9536 8.0759 123.8477 50.2189 22.3238 175.0811 115 S 5.5318 8.7511 114.7285 56.5507 66.1242 173.3045 116 A 4.6697 8.4012 127.5596 50.6455 22.3545 175.6951 117 S 4.7402 8.6479 118.4693 57.5207 64.6748 173.3509 118 N 4.4905 8.4392 120.5313 52.5484 39.1001 173.1988 119 P 4.4519 0.0000 0.0000 63.6864 31.5680 176.6989 120 L 4.3485 7.3982 119.5582 55.3112 42.9610 179.2937 121 N 5.1863 7.4385 121.8593 52.6453 40.1124 176.0112 122 V 3.4722 8.3870 122.4034 65.8111 31.6035 176.5966 123 Y 4.4696 7.6151 114.7383 59.5980 39.1883 176.1705 124 A 4.2378 7.7196 121.5853 50.7998 19.1433 175.0916 125 P 4.3869 0.0000 0.0000 61.9628 31.9010 174.8413 126 P 5.0102 0.0000 0.0000 61.9055 32.2670 176.3921 127 V 4.1730 8.3564 122.4680 63.2474 33.1600 174.4634 128 D 5.5744 9.0963 125.7000 52.8874 45.2599 174.1120 129 Y 5.6097 8.5673 119.7327 55.6520 42.4683 174.6126 130 V 4.8756 8.9851 120.0749 60.6327 34.9142 173.3893 131 L 4.9001 8.8125 125.3187 52.7535 44.6796 175.1327 132 N 4.8684 9.2515 122.4935 51.8598 40.0102 174.2015 133 V 4.5392 7.7800 124.1390 59.6585 34.3606 174.1293 134 C 4.8680 9.3992 126.1480 57.5202 33.7711 172.2097 135 V 4.7338 8.7247 126.7556 61.2054 33.3797 174.6985 136 K 4.7463 9.1505 127.9977 55.0076 33.5517 178.2271 137 K 3.1668 8.4899 122.9334 59.3975 31.9971 178.1626 138 D 4.4548 7.9034 115.6414 53.9747 39.5896 176.6532 139 G 4.1515 8.4792 109.3523 45.4085 0.0000 174.4357 140 S 4.7877 9.2055 115.3664 58.2324 64.6615 173.2485 141 I 5.2329 8.4140 113.8148 59.6046 41.7719 173.6266 142 D 4.9448 8.8024 121.4594 53.0981 44.7986 173.9047 143 V 4.8464 9.2310 125.9137 61.1578 34.9514 173.8231 144 Q 4.5721 8.9010 127.3967 53.9936 30.9084 175.0169 145 G 3.6024 8.0144 111.0862 43.9810 0.0000 171.3414 146 E 5.3092 8.5635 119.2651 54.9411 34.2260 174.4380 147 H 5.2948 8.9074 116.6102 54.4481 32.2591 172.8462 148 D 4.9503 9.0006 119.9106 54.4474 41.9646 177.3000 149 G 4.1582 9.0376 108.8344 45.5059 0.0000 173.5873 150 F 4.8444 7.8068 117.9546 56.6549 44.1580 170.1723 151 P 2.9708 0.0000 0.0000 62.7965 29.5406 178.7525 152 C 4.7979 6.3402 113.4981 58.2905 30.3074 171.8855 153 F 5.1813 9.2994 120.7574 55.5621 42.6658 173.7542 154 E 4.9094 8.6741 120.8260 54.4411 32.9803 174.5550 155 F 5.4425 8.8027 121.4564 55.9906 42.8437 173.7464 156 Y 5.4296 9.6532 119.6199 56.3333 42.8056 173.9912 157 K 5.3141 9.4403 122.1538 54.9937 36.0893 174.8363 158 Q 4.6050 9.1356 126.5152 54.7836 32.5668 173.6453 159 V 4.6747 8.3904 119.2486 60.0534 34.8906 175.5002 160 D 3.7473 9.4511 123.4280 55.7105 38.8634 174.6841 161 F 3.8951 7.5583 110.9008 58.2919 37.1429 177.2909 162 G 3.8593 8.0655 111.0085 44.3544 0.0000 172.0854 163 P 4.4656 0.0000 0.0000 62.3476 32.0415 175.8221 164 F 4.7178 8.4269 117.5914 57.6511 39.9652 174.8885 165 E 4.9314 9.4544 120.0055 54.4000 33.6452 175.0835 166 K 4.2823 8.9726 125.2403 57.0440 32.5856 175.9813 167 I 4.3247 8.7638 128.8331 62.9487 38.1339 175.3284 168 Y 4.7556 7.3840 120.7311 56.7596 41.8540 172.7058 169 T 4.8752 7.2557 113.8236 60.0379 72.4511 172.3885 170 H 4.5190 9.4374 122.8441 54.4577 33.1775 171.5221 171 D 5.0621 8.3027 126.0745 52.1646 42.2256 176.4354 172 F 4.4382 8.8766 122.2528 58.6350 38.0745 177.3667 173 R 4.1342 6.6751 116.0813 57.5053 29.8223 177.6017 174 E 4.0582 7.9589 118.6870 58.7523 29.5887 177.6122 175 T 4.3876 7.7798 106.7505 60.6173 69.7662 174.6604 176 G 3.9437 8.0253 109.7370 47.1039 0.0000 173.5326 177 D 4.8843 8.1683 119.2379 53.1488 42.6731 175.1905 178 T 4.5073 7.9011 113.0944 60.1932 70.4790 173.8176 179 A 2.7461 7.6853 124.6037 53.3715 18.4203 179.4126 180 A 4.0509 7.6583 117.6762 54.5282 18.2723 179.0639 181 A 4.1018 8.0262 118.2468 54.1682 18.5157 179.1509 182 L 4.2701 7.5015 116.1340 56.5013 41.8478 177.5587 183 G 4.0166 7.9900 107.5956 44.1094 0.0000 176.2432 184 G 3.7598 7.9775 109.4023 46.9248 0.0000 173.9713 185 N 4.2898 8.8575 121.6020 54.2607 38.1680 174.9814 *187 D 4.7048 8.6676 123.1578 54.3019 44.1653 176.2864 188 Y 4.7787 8.1094 115.2389 56.3512 40.6278 175.3370 189 S 5.1878 8.4365 115.4904 57.3637 66.6723 172.4814 190 F 4.9110 8.3904 114.6012 56.3105 41.4644 172.8056 191 T 4.8677 8.3684 113.3513 60.4102 70.4315 172.8382 192 K 4.7028 9.2864 129.4129 55.1282 36.2637 174.6060 193 R 5.2185 8.6810 125.9775 54.2462 32.9840 175.4949 194 L 4.2497 8.5067 123.8057 56.1606 40.6915 175.5969 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 T 8.07 4.63 4.59 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 1.38 0.00 0.00 3 N 9.53 4.87 0.00 2.76 2.87 0.00 0.00 6.50 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.97 4.91 1.38 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.66 0.00 0.00 5 I 8.88 4.93 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.59 1.00 0.00 0.00 6 K 9.31 5.14 0.00 1.84 1.74 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.51 7.81 7 I 8.95 5.16 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 1.11 0.00 0.00 8 R 9.79 5.38 0.00 2.05 2.03 0.00 3.26 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 9 A 9.58 5.21 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 10 S 8.56 4.97 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.21 4.54 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 0.37 0.00 0.00 1.03 0.00 0.00 12 F 8.34 5.22 0.00 3.10 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 13 I 8.89 4.28 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.49 0.96 0.00 0.00 14 P 0.00 5.25 0.00 2.03 2.05 0.00 3.93 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 1.83 1.54 0.00 *16 S 8.19 4.25 0.00 3.88 3.72 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 17 W 7.95 5.70 0.00 3.20 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 18 T 9.44 4.40 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 19 E 8.76 4.25 0.00 2.05 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 2.44 2.43 0.00 20 A 8.59 4.29 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.47 4.56 0.00 1.74 1.77 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.42 7.81 *23 D 8.18 4.12 0.00 2.79 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 *25 E 8.81 4.26 0.00 2.02 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 0.00 2.19 2.30 0.00 26 T 7.55 4.33 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 1.21 0.00 0.00 27 G 8.28 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 0.00 0.00 0.00 28 Q 7.73 4.48 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 29 V 8.26 4.48 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 0.94 0.00 0.00 0.89 0.00 0.00 30 I 9.00 5.04 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.91 0.00 0.00 31 Q 8.53 5.00 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 32 F 9.42 5.48 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.26 3.57 0.00 1.57 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 1.88 1.47 0.00 34 G 8.13 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 35 D 8.82 4.64 0.00 2.74 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 36 S 8.00 3.92 0.00 3.85 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 37 R 7.05 4.61 0.00 1.65 1.79 0.00 2.70 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 38 E 8.09 4.76 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 39 F 8.80 4.25 0.00 3.03 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 40 T 8.09 4.20 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 41 P 0.00 3.63 0.00 0.49 0.49 0.00 3.44 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.30 0.00 42 H 7.11 4.74 0.00 3.07 3.23 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.57 4.55 1.07 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 0.00 0.00 44 V 7.45 4.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.99 0.00 0.00 45 N 9.21 4.28 0.00 2.89 2.92 0.00 0.00 6.89 7.42 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 46 T 7.06 3.91 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 1.17 0.00 0.00 *48 R 7.69 4.25 0.00 1.73 1.84 0.00 3.38 0.00 0.00 3.81 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.46 0.00 49 S 7.55 4.68 0.00 3.71 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 50 R 9.15 3.93 0.00 1.66 1.92 0.00 3.17 0.00 0.00 3.03 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 51 V 7.71 5.03 2.16 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 1.15 0.00 0.00 0.92 0.00 0.00 52 E 9.48 5.35 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 53 Q 9.54 5.11 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 54 E 9.70 5.39 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.46 0.00 2.02 2.11 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 81 D 7.88 4.70 0.00 2.75 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 82 G 8.56 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.35 4.26 0.00 3.90 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 84 V 8.25 4.90 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 0.73 0.00 0.00 0.88 0.00 0.00 85 N 8.73 4.94 0.00 2.60 2.64 0.00 0.00 6.97 7.19 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 86 K 8.67 5.64 0.00 1.67 1.78 0.00 1.78 0.00 0.00 2.44 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.31 7.81 87 R 8.57 4.96 0.00 1.76 1.82 0.00 3.09 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 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0.00 0.00 0.00 0.00 0.00 114 A 8.08 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.75 5.53 0.00 3.87 3.65 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 0.00 116 A 8.40 4.67 1.17 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 0.00 117 S 8.65 4.74 0.00 3.72 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 0.00 118 N 8.44 4.49 0.00 2.51 2.61 0.00 0.00 7.01 7.69 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 0.00 119 P 0.00 4.45 0.00 2.21 2.13 0.00 3.79 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 1.98 2.07 0.00 120 L 7.40 4.35 0.00 1.95 1.75 1.17 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.44 5.19 0.00 2.69 2.70 0.00 0.00 6.81 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 0.00 122 V 8.39 3.47 0.67 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 0.33 0.00 0.00 0.68 0.00 0.00 123 Y 7.62 4.47 0.00 2.98 2.99 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 0.00 124 A 7.72 4.24 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.39 0.00 2.37 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 126 P 0.00 5.01 0.00 1.97 2.02 0.00 3.74 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 127 V 8.36 4.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.01 0.00 0.00 128 D 9.10 5.57 0.00 2.74 2.52 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 0.00 129 Y 8.57 5.61 0.00 3.36 3.36 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 0.00 130 V 8.99 4.88 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 0.68 0.00 0.00 0.94 0.00 0.00 131 L 8.81 4.90 0.00 1.56 1.40 0.54 0.14 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 0.00 132 N 9.25 4.87 0.00 2.50 2.60 0.00 0.00 6.19 8.26 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 0.00 133 V 7.78 4.54 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 0.31 0.00 0.00 0.28 0.00 0.00 134 C 9.40 4.87 0.00 2.78 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 0.00 135 V 8.72 4.73 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 1.17 0.00 0.00 1.03 0.00 0.00 136 K 9.15 4.75 0.00 1.85 1.71 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.57 7.81 137 K 8.49 3.17 0.00 1.65 1.62 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.92 0.21 7.81 138 D 7.90 4.45 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.48 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.21 4.79 0.00 3.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.41 5.23 1.94 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 0.95 0.97 0.00 0.00 142 D 8.80 4.94 0.00 2.68 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 V 9.23 4.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.87 0.00 0.00 144 Q 8.90 4.57 0.00 1.82 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 145 G 8.01 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.56 5.31 0.00 1.86 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 2.07 2.13 0.00 147 H 8.91 5.29 0.00 2.45 3.30 0.00 5.46 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 0.00 148 D 9.00 4.95 0.00 2.90 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 0.00 149 G 9.04 4.16 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 0.00 0.00 0.00 150 F 7.81 4.84 0.00 2.94 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 0.00 151 P 0.00 2.97 0.00 1.65 0.49 0.00 3.46 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 152 C 6.34 4.80 0.00 1.63 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 9.30 5.18 0.00 2.82 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 0.00 154 E 8.67 4.91 0.00 1.88 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 155 F 8.80 5.44 0.00 2.94 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 0.00 156 Y 9.65 5.43 0.00 2.91 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 0.00 157 K 9.44 5.31 0.00 1.91 1.75 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 158 Q 9.14 4.60 0.00 1.69 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 159 V 8.39 4.67 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 0.74 0.00 0.00 0.92 0.00 0.00 160 D 9.45 3.75 0.00 2.67 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 0.00 0.00 0.00 0.00 161 F 7.56 3.90 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.07 3.86 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 0.00 0.00 0.00 163 P 0.00 4.47 0.00 2.24 2.10 0.00 3.76 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 2.01 2.01 0.00 164 F 8.43 4.72 0.00 2.89 2.90 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 0.00 165 E 9.45 4.93 0.00 1.99 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 2.30 2.32 0.00 166 K 8.97 4.28 0.00 1.87 1.74 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.18 7.81 167 I 8.76 4.32 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 1.04 0.00 0.00 168 Y 7.38 4.76 0.00 2.63 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 0.00 0.00 0.00 0.00 169 T 7.26 4.88 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 0.88 0.00 0.00 170 H 9.44 4.52 0.00 3.11 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.30 5.06 0.00 2.71 2.38 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 0.00 172 F 8.88 4.44 0.00 3.54 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 0.00 173 R 6.68 4.13 0.00 1.81 1.65 0.00 2.69 0.00 0.00 2.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 174 E 7.96 4.06 0.00 2.05 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 2.30 0.00 175 T 7.78 4.39 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 1.28 0.00 0.00 176 G 8.03 3.94 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 0.00 0.00 0.00 177 D 8.17 4.88 0.00 3.12 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 0.00 178 T 7.90 4.51 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 1.20 0.00 0.00 179 A 7.69 2.75 0.73 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 0.00 180 A 7.66 4.05 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 0.00 181 A 8.03 4.10 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 0.00 182 L 7.50 4.27 0.00 1.89 1.78 1.22 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 183 G 7.99 4.02 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 0.00 0.00 0.00 184 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 0.00 185 N 8.86 4.29 0.00 2.72 2.63 0.00 0.00 6.74 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 *187 D 8.67 4.70 0.00 2.63 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 Y 8.11 4.78 0.00 2.48 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 0.00 189 S 8.44 5.19 0.00 3.84 3.70 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 0.00 190 F 8.39 4.91 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 T 8.37 4.87 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 1.20 0.00 0.00 192 K 9.29 4.70 0.00 1.98 1.67 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.90 7.81 193 R 8.68 5.22 0.00 1.70 1.81 0.00 3.24 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 194 L 8.51 4.25 0.00 1.63 1.73 0.99 1.27 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 * Residues marked with a * may have inaccurate shift predictions.