NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2466 0.0000 0.0000 63.7103 33.0126 175.9580 3 S 3.5062 8.5255 115.9687 59.3307 59.5616 170.8208 4 C 4.7570 8.4684 118.3325 55.2539 42.8846 174.3995 5 K 4.3304 8.4200 121.5056 55.9870 32.5578 177.8875 6 E 3.9184 8.9438 120.5178 59.9511 29.4797 178.4914 7 D 4.6267 8.0915 115.1379 53.8997 39.9861 174.7647 8 E 5.3451 8.1649 119.3808 54.9781 33.3338 174.3974 9 Y 4.9901 8.9310 117.6900 55.0113 41.9272 172.5701 10 P 5.0143 0.0000 0.0000 62.2245 32.4389 176.4911 11 V 4.2738 8.3610 123.7731 60.8184 34.5482 175.3460 12 G 3.9038 8.3417 115.6206 47.1874 0.0000 174.2315 13 S 4.5726 8.8063 120.5684 58.0921 63.2221 172.2800 14 E 4.8118 7.7552 120.1143 54.9746 33.9545 173.6719 15 C 5.2333 8.5239 116.8888 56.3154 41.0689 174.3611 16 C 4.9329 8.3960 116.5208 54.7859 44.8924 171.9725 17 P 4.6791 0.0000 0.0000 62.6605 31.2912 176.7134 18 K 4.4705 8.6891 124.4199 56.7297 32.9476 176.4434 19 C 4.6382 9.2333 120.5720 56.6131 37.3814 173.6362 20 S 4.6507 8.3931 116.9187 57.5787 64.0224 172.1492 21 P 4.3320 0.0000 0.0000 64.3267 31.5978 177.4281 22 G 3.9550 9.4028 109.8885 45.7196 0.0000 172.5689 23 Y 5.0849 7.7164 116.1572 55.8861 41.9569 174.4546 24 R 4.8251 8.9268 117.8969 54.0987 33.6548 174.4804 25 V 4.0106 8.4389 120.6618 63.0501 31.3527 175.2941 26 K 4.3198 8.8408 130.0224 58.2210 32.8736 176.1282 27 E 4.8628 8.0034 119.4080 54.1984 33.3919 173.8496 28 A 4.7372 8.6149 127.8273 50.4993 20.4270 175.8728 29 C 4.1472 7.9360 116.0468 54.5625 42.8354 173.4741 30 G 4.0919 7.8969 107.7606 44.2839 0.0000 171.8426 31 E 4.0395 8.9964 118.8735 58.5107 29.8978 178.6182 32 L 4.5080 7.7926 116.7739 55.4829 43.2724 176.8653 33 T 4.2639 7.6382 108.2083 60.7416 69.9746 174.3736 34 G 3.9235 8.1939 111.0289 45.2702 0.0000 173.0757 35 T 4.2628 8.2976 116.9120 63.3953 69.3563 174.6451 36 V 4.1492 8.3816 126.2249 62.1393 32.9598 174.4323 37 C 5.4786 8.5987 124.3948 55.6193 38.9674 172.9181 38 E 4.8121 9.0063 119.1651 54.7181 32.8850 172.5625 39 P 4.0733 0.0000 0.0000 63.0378 32.1434 176.7961 40 C 4.4354 8.5678 121.2439 56.2585 35.7946 172.4115 41 P 4.4667 0.0000 0.0000 61.4656 31.7478 174.0680 42 P 4.3226 0.0000 0.0000 64.6391 31.7619 177.2108 43 G 3.9782 9.3369 110.2569 45.4593 0.0000 172.2512 44 T 5.3968 7.5044 108.3857 60.3961 72.4218 172.4129 45 Y 5.0012 8.8044 118.7086 56.4102 41.9790 173.5876 46 I 4.4090 8.5970 120.3226 59.8824 40.7969 176.2803 47 A 4.6409 8.6696 129.0199 53.1408 19.3258 176.0971 48 H 5.1530 7.6008 110.3960 53.2510 33.1385 173.4710 49 L 4.3781 8.5918 118.9580 56.1272 41.9496 176.7833 50 N 4.8776 9.1426 119.2499 51.1084 41.2797 174.4739 51 G 3.2167 8.0957 105.8652 45.5346 0.0000 172.8336 52 L 4.4445 7.6700 120.8302 53.3310 42.7311 177.7739 53 S 4.7817 8.4778 116.6807 58.2247 63.5589 173.8075 54 K 4.4718 7.3189 121.2319 55.4950 34.9058 175.8556 55 C 4.5476 8.4859 123.2927 56.5613 40.8696 173.4131 56 L 4.3831 7.9722 121.2798 54.4222 42.8590 176.3568 57 Q 4.5562 8.5123 120.3529 55.7883 29.4737 176.9559 58 C 4.5824 8.6778 121.5758 56.7490 40.9740 173.7530 59 Q 4.1105 8.8533 124.3932 56.3092 29.3048 175.1385 60 M 4.3792 8.3485 123.8684 54.2075 33.6989 176.3044 61 C 4.6686 8.3546 122.9405 54.9763 37.5380 172.5638 62 D 4.5585 8.2895 125.0463 52.8763 41.3650 175.4420 63 P 4.4281 0.0000 0.0000 64.9296 31.5858 178.4523 64 A 3.9887 8.6526 120.5079 54.6249 18.5498 177.7959 65 M 4.3210 8.0362 115.2615 54.8478 32.3676 176.7619 66 G 3.4879 8.3404 107.3798 46.5516 0.0000 173.3120 67 L 5.0471 7.7592 119.0690 52.3357 44.2856 175.2724 68 R 4.7701 8.3083 123.6697 54.0018 32.7935 174.6689 69 A 4.3398 8.5728 128.3660 52.2057 18.2963 177.3400 70 S 4.2320 8.7760 118.7971 61.1293 64.0889 175.1267 71 R 4.6204 7.6821 120.0973 53.5850 32.4196 175.5283 72 N 4.6784 8.7346 121.4970 53.1632 39.6887 175.2305 73 C 4.5653 8.6328 122.5557 56.4954 42.8638 172.9984 74 S 4.7805 8.1574 121.4195 56.2760 65.5359 174.8685 75 R 4.0327 8.4756 117.9976 59.0542 29.9825 178.3144 76 T 4.7528 7.6110 105.1662 61.5926 69.6448 173.7458 77 E 4.8753 7.7594 121.5455 54.7283 33.9681 174.5927 78 N 3.6219 8.4379 122.2619 52.8651 39.9806 174.1553 79 A 4.2548 8.0690 125.4036 51.8111 19.7196 176.9600 80 V 4.1631 8.1294 121.3798 61.1874 33.8186 173.9903 81 C 4.7939 8.7283 125.8508 56.5294 38.5105 173.0499 82 G 4.2306 8.4914 108.6741 44.6705 0.0000 170.6247 83 C 5.0846 8.6760 116.6005 56.5604 38.7273 174.5032 84 S 4.4779 8.4338 118.1242 57.1567 64.2491 172.0159 85 P 4.2620 0.0000 0.0000 64.6214 31.0398 176.7308 86 G 4.1383 9.1300 111.3344 47.1596 0.0000 172.2380 87 H 5.1146 8.1727 114.6613 53.3935 32.9121 173.3153 88 F 5.0252 8.1693 116.0243 54.7021 40.8397 173.7575 89 C 4.9487 9.0324 121.9045 57.1338 43.9470 172.9607 90 I 4.4838 8.9072 116.2104 60.1979 39.1317 175.2822 91 V 4.2667 7.5053 123.1562 61.8733 34.3317 174.5573 92 Q 4.2556 8.5912 127.2753 55.3471 30.1801 174.9749 *95 D 4.4482 8.6990 119.1962 52.9340 43.1037 178.0232 96 H 4.8021 7.6937 123.1593 54.5943 32.8962 174.2311 97 C 4.7333 8.7091 118.8764 56.0765 44.1376 173.1800 98 A 4.5278 8.5364 126.9454 51.9739 20.5950 176.1836 99 A 4.6740 7.4716 114.9868 51.1269 22.4589 176.0508 100 C 5.2138 8.7255 117.8804 55.0273 45.6317 173.3968 101 R 4.6648 7.6582 119.6115 54.1544 32.8993 174.8305 102 A 4.3948 8.1718 125.5092 50.9572 19.5735 177.2631 103 Y 4.3402 8.4502 116.3611 58.4667 38.0202 176.1475 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 P 0.00 4.25 0.00 2.19 2.12 0.00 3.85 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 1.88 1.99 0.00 3 S 8.53 3.51 0.00 4.12 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 4 C 8.47 4.76 0.00 2.97 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 5 K 8.42 4.33 0.00 1.88 1.80 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.46 7.81 6 E 8.94 3.92 0.00 1.96 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 2.33 2.29 0.00 7 D 8.09 4.63 0.00 2.84 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.16 5.35 0.00 1.82 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 2.22 2.22 0.00 9 Y 8.93 4.99 0.00 2.92 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 5.01 0.00 1.99 2.02 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 11 V 8.36 4.27 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 0.50 0.00 0.00 0.91 0.00 0.00 12 G 8.34 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 13 S 8.81 4.57 0.00 3.84 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 14 E 7.76 4.81 0.00 1.84 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 0.00 2.17 2.26 0.00 15 C 8.52 5.23 0.00 2.78 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 16 C 8.40 4.93 0.00 2.19 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 17 P 0.00 4.68 0.00 1.96 2.02 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 18 K 8.69 4.47 0.00 1.82 1.92 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 C 9.23 4.64 0.00 2.93 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 20 S 8.39 4.65 0.00 3.70 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 21 P 0.00 4.33 0.00 2.10 2.10 0.00 3.76 0.00 0.00 3.69 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 22 G 9.40 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 23 Y 7.72 5.08 0.00 2.93 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.93 4.83 0.00 1.94 1.96 0.00 2.88 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 25 V 8.44 4.01 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 0.84 0.00 0.00 0.79 0.00 0.00 26 K 8.84 4.32 0.00 1.86 1.83 0.00 1.95 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 1.42 1.47 7.81 27 E 8.00 4.86 0.00 2.05 1.73 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 2.27 2.29 0.00 28 A 8.61 4.74 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 29 C 7.94 4.15 0.00 3.04 3.13 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 0.00 30 G 7.90 4.09 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 0.00 0.00 0.00 31 E 9.00 4.04 0.00 1.90 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 2.28 2.38 0.00 32 L 7.79 4.51 0.00 1.64 1.67 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.64 4.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 34 G 8.19 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 35 T 8.30 4.26 4.30 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 1.33 0.00 0.00 36 V 8.38 4.15 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 0.97 0.00 0.00 0.94 0.00 0.00 37 C 8.60 5.48 0.00 2.82 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 38 E 9.01 4.81 0.00 2.11 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 2.22 2.30 0.00 39 P 0.00 4.07 0.00 1.82 1.66 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 40 C 8.57 4.44 0.00 2.75 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 41 P 0.00 4.47 0.00 2.16 1.95 0.00 3.58 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 42 P 0.00 4.32 0.00 2.02 2.00 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 43 G 9.34 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 44 T 7.50 5.40 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 45 Y 8.80 5.00 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 46 I 8.60 4.41 1.80 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 0.90 0.50 0.87 0.00 0.00 47 A 8.67 4.64 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 48 H 7.60 5.15 0.00 2.98 3.19 0.00 5.93 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.59 4.38 0.00 1.53 1.67 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.14 4.88 0.00 2.70 2.93 0.00 0.00 6.37 7.11 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 51 G 8.10 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 0.00 0.00 0.00 52 L 7.67 4.44 0.00 1.56 1.64 0.81 1.11 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 53 S 8.48 4.78 0.00 3.96 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 54 K 7.32 4.47 0.00 1.64 1.63 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.48 7.81 55 C 8.49 4.55 0.00 2.84 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 56 L 7.97 4.38 0.00 1.14 1.51 0.60 0.99 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 57 Q 8.51 4.56 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 58 C 8.68 4.58 0.00 2.88 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 59 Q 8.85 4.11 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 60 M 8.35 4.38 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 61 C 8.35 4.67 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.29 4.56 0.00 2.65 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 63 P 0.00 4.43 0.00 2.19 2.05 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 64 A 8.65 3.99 1.31 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 0.00 0.00 65 M 8.04 4.32 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 66 G 8.34 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 67 L 7.76 5.05 0.00 1.78 1.51 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.31 4.77 0.00 1.85 1.72 0.00 3.08 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 69 A 8.57 4.34 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 70 S 8.78 4.23 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 71 R 7.68 4.62 0.00 1.73 1.79 0.00 3.26 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 72 N 8.73 4.68 0.00 2.57 2.71 0.00 0.00 7.11 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 73 C 8.63 4.57 0.00 2.88 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 74 S 8.16 4.78 0.00 3.95 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 75 R 8.48 4.03 0.00 1.85 1.95 0.00 2.95 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 76 T 7.61 4.75 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 1.26 0.00 0.00 77 E 7.76 4.88 0.00 1.96 1.74 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 2.21 2.25 0.00 78 N 8.44 3.62 0.00 2.07 2.42 0.00 0.00 7.09 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 79 A 8.07 4.25 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 80 V 8.13 4.16 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 0.70 0.00 0.00 0.84 0.00 0.00 81 C 8.73 4.79 0.00 2.84 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 82 G 8.49 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 0.00 0.00 0.00 0.00 83 C 8.68 5.08 0.00 2.91 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 84 S 8.43 4.48 0.00 3.69 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 85 P 0.00 4.26 0.00 2.08 2.07 0.00 3.78 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 2.06 2.13 0.00 86 G 9.13 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 0.00 0.00 0.00 87 H 8.17 5.11 0.00 3.10 3.07 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.17 5.03 0.00 2.99 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 89 C 9.03 4.95 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 90 I 8.91 4.48 1.79 0.00 0.00 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 0.96 0.79 0.62 0.00 0.00 91 V 7.51 4.27 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 1.07 0.00 0.00 0.90 0.00 0.00 92 Q 8.59 4.26 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 *95 D 8.70 4.45 0.00 2.69 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 96 H 7.69 4.80 0.00 3.07 3.21 0.00 5.91 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 97 C 8.71 4.73 0.00 3.00 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 98 A 8.54 4.53 1.23 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 0.00 0.00 99 A 7.47 4.67 1.14 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 0.00 0.00 100 C 8.73 5.21 0.00 2.83 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.66 4.66 0.00 1.46 0.82 0.00 3.10 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 102 A 8.17 4.39 1.10 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 0.00 103 Y 8.45 4.34 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 * Residues marked with a * may have inaccurate shift predictions.