NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.2659 0.0000 0.0000 62.5386 31.7348 172.9306 13 K 3.7803 8.0426 123.9705 58.0069 31.6489 176.4681 14 G 4.0798 8.8222 114.5789 46.1551 0.0000 174.1411 15 V 4.5469 7.3724 115.4835 59.5785 35.1605 177.4688 16 S 4.3337 9.0253 123.1138 57.9674 61.2247 172.3658 17 V 4.5946 8.0166 124.0345 61.9135 31.0050 174.1962 18 E 4.5945 8.9058 125.8272 55.0623 31.7418 175.3701 19 V 4.6051 8.2055 120.9000 61.3680 33.9222 175.1192 20 A 4.5884 8.2420 131.0644 49.7828 20.9345 174.7573 21 P 4.4122 0.0000 0.0000 65.6463 31.2879 177.9400 22 G 4.1404 8.0234 101.1766 45.5649 0.0000 172.3760 23 R 5.1314 7.7205 119.6371 54.8823 34.0490 175.4129 24 V 4.4459 7.9905 117.1573 61.4966 34.6255 173.3774 25 K 4.7622 8.9442 127.2509 54.6749 33.0460 175.8498 26 V 3.9509 8.4970 126.6258 62.4058 32.1508 174.8324 27 K 4.8732 8.4737 128.2092 55.2717 35.2245 176.8074 28 G 4.0584 8.2616 109.5763 45.0680 0.0000 171.6362 29 P 4.3003 0.0000 0.0000 65.8429 31.3840 178.3408 30 K 4.1240 8.1927 116.5600 57.2244 32.8002 177.7624 31 G 3.8964 6.0810 103.5849 45.5943 0.0000 170.0697 32 E 5.1597 8.2693 119.9783 54.4303 32.8317 176.5294 33 L 4.8064 8.8058 124.2131 53.2204 46.3587 175.4798 34 E 4.8776 8.7321 122.2832 54.3137 30.0236 174.2183 35 V 3.8940 8.5900 124.2331 61.6632 32.5559 173.1919 36 P 4.6258 0.0000 0.0000 62.8535 32.1050 175.8417 37 V 4.5530 8.5630 121.5463 60.8508 35.1331 174.9165 38 S 4.2056 8.6514 120.3720 57.7941 63.0201 174.1540 39 P 4.6550 0.0000 0.0000 62.6800 30.2872 177.0257 40 E 4.7957 7.2357 116.2175 54.1769 31.0687 174.8450 41 M 4.4925 6.4207 123.8778 56.1097 36.2256 174.9238 42 R 5.5146 8.0906 127.6671 56.9409 32.6833 174.2354 43 V 4.7168 7.6589 109.0314 59.9724 32.4796 176.0637 44 V 4.1950 8.6895 122.2140 63.2273 34.5531 176.3657 45 V 3.1651 6.9297 122.3632 64.0111 28.2731 172.7733 46 E 4.3664 7.7805 119.1562 55.2862 30.6935 177.2690 47 E 3.7543 8.6662 124.9571 55.5211 27.6108 175.6204 48 G 4.1487 8.4721 109.1423 46.2774 0.0000 174.2539 49 V 4.1837 7.1619 113.0314 60.7227 34.6559 174.0140 50 V 4.3124 8.2117 122.2518 63.1762 33.6441 174.8113 51 R 4.6212 8.3715 125.9662 54.6398 32.5886 175.5770 52 V 4.4743 7.9057 117.4611 61.6930 34.3547 173.4676 53 E 4.8045 8.7471 125.6638 54.3756 32.8086 174.7562 54 R 4.6252 8.0630 118.5766 53.6579 31.4861 174.4978 55 P 4.2168 0.0000 0.0000 65.6234 31.6281 177.1108 56 S 4.7493 7.7497 113.9740 56.5998 64.8573 173.4778 57 D 4.9464 8.2429 118.8073 54.3727 41.4190 176.7243 58 E 4.3306 7.9139 119.0983 55.3846 31.0929 178.0839 59 R 3.8381 8.5204 118.6673 59.9110 30.0516 177.9978 60 R 3.8793 8.0198 117.2577 60.0686 30.0117 178.2543 61 H 4.2328 8.0604 114.7963 59.0762 28.6647 177.6577 62 K 3.8332 7.9075 119.4447 59.9514 31.8237 179.3019 63 S 4.2995 8.1354 115.1229 61.6472 62.9128 176.6423 64 L 3.9248 8.0396 121.6723 57.0348 41.4621 177.4309 65 H 4.4051 8.2587 118.0638 57.3696 30.7390 174.2883 66 G 4.2600 8.7758 118.5395 46.4398 0.0000 175.3632 67 L 3.9158 7.2998 121.5564 58.1318 41.9865 179.0057 68 T 3.8145 8.4313 115.7378 66.5514 68.3718 176.2815 69 R 3.8358 7.9393 119.9638 60.0551 29.9518 178.0697 70 T 3.8162 8.4143 115.3128 66.8290 68.3043 176.2796 71 L 3.9438 7.9073 119.6633 58.1677 41.9633 179.7371 72 I 3.8195 8.2138 119.4858 64.2788 37.1314 178.0172 73 A 3.9841 8.1016 121.7206 55.6473 18.2114 179.5114 74 N 4.3195 8.5239 114.5796 56.2667 38.2678 177.5651 75 A 4.0174 7.7456 121.8387 54.8280 18.6040 179.5981 76 V 3.6572 7.5614 116.2713 66.3363 31.6796 178.4422 77 K 4.1067 8.2226 118.1995 59.0940 31.5994 179.5237 78 G 3.8251 7.8070 106.9541 46.3326 0.0000 174.7646 79 V 4.4142 7.2839 114.4392 59.7064 33.8159 176.6043 80 S 5.3813 7.5282 114.5449 58.5055 64.7396 176.9078 81 E 3.5470 7.1764 116.1871 57.2512 26.5253 177.8847 82 G 3.7944 7.7503 108.1437 47.9133 0.0000 176.2532 83 Y 4.8226 6.3317 113.6748 57.3709 37.1420 179.1838 84 S 4.0296 8.9672 124.8574 58.9618 61.7004 165.0000 85 K 3.9686 8.8731 127.8263 55.7873 30.8891 174.3000 86 E 5.1851 8.4547 122.8345 54.5804 33.0862 174.6344 87 L 5.1839 10.2933 121.1381 53.0092 45.1504 175.1174 88 L 5.1141 8.8593 125.9297 53.3760 43.8198 174.9179 89 I 4.7160 8.0709 121.2694 60.2721 38.8248 175.8125 90 K 4.5712 8.4298 126.9459 55.9060 34.8108 173.6624 91 G 3.6193 8.6621 114.4000 45.1945 0.0000 172.9631 92 I 3.6887 8.6408 120.8092 62.8802 36.1647 178.0112 93 G 4.0291 9.5066 119.7852 49.1584 0.0000 173.9091 94 Y 4.3423 8.3879 117.8229 57.4938 38.6842 175.6306 95 R 4.5363 7.6209 120.1398 56.1308 32.1012 173.0837 96 A 5.2471 8.6266 121.9441 50.4311 23.6838 177.5365 97 R 4.5029 9.0803 115.8720 55.2594 29.0572 178.8128 98 L 4.9924 8.1294 118.7825 54.7009 44.8102 171.8077 99 V 4.2932 7.9294 125.8404 61.7063 34.3069 174.5503 100 G 3.7801 8.5547 117.1942 47.2614 0.0000 174.3355 101 R 4.2736 8.5945 121.7642 56.2664 30.9118 176.2421 102 A 4.5112 7.9438 121.1286 51.5135 20.3684 176.1435 103 L 4.8621 8.7023 121.5443 53.3349 44.4936 174.5101 104 E 5.2120 8.7928 127.5583 54.3227 31.9451 174.2423 105 L 5.0461 9.2360 127.5556 54.2192 43.9194 175.3375 106 T 4.4407 8.4746 114.8099 59.6755 70.4996 175.9261 107 V 3.7359 7.8684 121.6541 60.2295 32.6980 174.9930 108 G 3.7029 7.7427 108.1514 45.5032 0.0000 174.5927 109 F 4.4589 7.1175 117.2548 57.4998 39.3968 176.5328 110 S 4.6327 8.7648 116.4669 58.2540 62.2413 173.7330 111 H 4.3616 8.3604 118.0733 55.7854 32.8296 172.5194 112 P 4.7263 0.0000 0.0000 62.5797 33.0886 175.3760 113 V 4.4975 8.1856 117.1526 61.4129 34.8035 174.1886 114 V 4.8403 8.5089 120.3251 59.2572 33.8085 176.0197 115 V 4.4624 8.2493 122.2912 60.6825 30.2633 174.6720 116 E 4.1122 8.4333 121.6407 55.5612 30.3471 175.4548 117 P 4.1307 0.0000 0.0000 61.9831 32.0378 174.8197 118 P 4.4176 0.0000 0.0000 61.7036 32.2818 175.1298 119 E 4.0046 8.4431 120.3069 58.0191 29.7403 177.1129 120 G 3.9951 9.1265 114.2528 44.7531 0.0000 172.2669 121 I 4.7013 7.0886 119.9865 59.6914 39.4157 175.2798 122 T 4.4558 8.8239 122.9768 61.6701 71.6899 172.8743 123 F 5.6755 8.6324 124.0085 56.1839 40.8293 174.9894 124 E 4.7981 9.0423 122.3668 54.1770 32.9007 176.4470 125 V 5.0195 7.8888 119.3809 60.4299 31.7255 173.9994 126 P 4.4065 0.0000 0.0000 65.3048 31.6321 175.9267 127 E 4.7072 7.5272 115.4186 54.5595 33.7163 172.8614 128 P 4.8701 0.0000 0.0000 63.2446 32.0605 176.1960 129 T 4.9267 7.5508 109.9578 61.0591 69.6471 173.4938 130 R 4.8805 7.9317 120.2601 56.1268 34.5685 174.4112 131 V 4.8293 9.3253 123.5994 61.3382 35.8280 174.0548 132 R 4.9852 8.6093 121.0533 54.7843 33.1827 173.7039 133 V 4.9364 8.6674 122.4552 61.8433 32.9598 175.0268 134 S 4.8511 8.9831 124.4223 56.9397 65.0983 173.4158 135 G 4.3533 8.2058 108.2787 46.5202 0.0000 174.0107 136 I 4.2560 8.3770 121.6611 64.7129 38.6435 178.6290 137 D 4.5456 8.5189 119.5452 54.0650 39.5596 175.5467 138 K 4.6741 9.4643 126.0468 56.3163 30.5273 174.8683 139 Q 3.7835 7.9167 120.1598 59.4644 28.7312 179.7195 140 K 4.0215 8.1013 119.0447 59.3477 32.2554 179.2791 141 V 3.7009 7.7722 118.0862 66.0583 31.3435 177.7273 142 G 3.9384 8.5545 105.0491 49.0525 0.0000 174.5387 143 Q 4.0851 8.1546 120.5146 57.4771 28.5531 178.3887 144 V 3.7112 8.5925 119.9919 66.4859 31.7936 178.5249 145 A 4.0758 8.6590 120.4987 55.2067 18.2269 179.5159 146 A 4.0504 8.3606 120.4802 55.0713 18.3515 179.2704 147 N 4.1771 8.3517 113.1287 57.0943 38.7708 177.0617 148 I 3.7941 7.9128 120.7993 64.3009 36.7656 178.2585 149 R 3.7325 7.9880 118.9365 59.3730 29.4564 178.4949 150 A 3.9619 7.9627 119.9742 55.5287 18.4847 179.2799 151 I 3.8975 7.3033 117.4454 64.0874 38.6609 176.5974 152 R 4.6974 7.5742 115.7359 55.0805 32.0166 173.8389 153 K 4.2892 8.0524 120.9645 55.0418 33.6462 175.4425 154 P 4.1573 0.0000 0.0000 62.1773 30.1560 176.7329 155 S 3.5188 7.3186 111.4190 56.9989 63.3019 174.5146 156 A 3.5573 7.7690 127.3483 56.9919 16.9269 177.0088 157 Y 3.6203 9.1662 118.2429 59.3529 37.9161 168.0262 158 H 4.2410 8.0435 125.2433 55.7460 30.4835 173.1712 159 E 4.6528 8.3726 131.6857 56.8756 33.9461 178.3406 160 K 4.2873 8.6970 122.9355 54.5031 35.4252 175.6673 161 G 4.2637 8.2385 104.5917 45.3854 0.0000 172.1043 162 I 4.5800 7.9873 119.9497 60.9719 37.6277 175.7054 163 Y 4.4383 8.9542 124.7255 56.4919 40.3782 176.1035 164 Y 4.4869 8.9447 119.2549 58.6196 38.2990 177.4659 165 A 5.5324 7.7581 132.1912 52.8032 20.5959 176.6652 166 G 4.1187 7.9701 107.2682 45.3050 0.0000 172.9381 167 E 4.8265 8.3253 117.4249 53.5573 33.2931 175.1448 168 P 4.7527 0.0000 0.0000 63.5960 29.1467 176.0224 169 V 3.4587 7.2934 118.5518 61.4728 32.6299 176.8444 170 R 3.7595 8.8121 125.1238 60.2689 30.2511 177.1472 *171 L 4.1415 7.6907 120.5939 54.5073 41.6082 178.6735 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 12 P 0.00 4.27 0.00 2.05 2.09 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.11 0.00 13 K 8.04 3.78 0.00 2.00 1.99 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.43 7.81 14 G 8.82 4.08 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 0.00 0.00 0.00 15 V 7.37 4.55 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 0.83 0.00 0.00 0.93 0.00 0.00 16 S 9.03 4.33 0.00 3.76 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 17 V 8.02 4.59 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 18 E 8.91 4.59 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 19 V 8.21 4.61 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 0.83 0.00 0.00 1.00 0.00 0.00 20 A 8.24 4.59 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 21 P 0.00 4.41 0.00 2.05 2.15 0.00 3.62 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 2.03 2.10 0.00 22 G 8.02 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 23 R 7.72 5.13 0.00 1.76 1.87 0.00 3.17 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 24 V 7.99 4.45 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 0.69 0.00 0.00 1.00 0.00 0.00 25 K 8.94 4.76 0.00 1.73 1.81 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.36 7.81 26 V 8.50 3.95 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 27 K 8.47 4.87 0.00 1.75 1.68 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.66 7.81 28 G 8.26 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.30 0.00 2.04 2.12 0.00 4.02 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 2.02 2.11 0.00 30 K 8.19 4.12 0.00 1.78 1.98 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.38 7.81 31 G 6.08 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 32 E 8.27 5.16 0.00 1.94 1.79 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 2.17 2.30 0.00 33 L 8.81 4.81 0.00 1.60 1.48 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.73 4.88 0.00 1.81 1.88 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 2.20 2.26 0.00 35 V 8.59 3.89 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 0.95 0.00 0.00 0.97 0.00 0.00 36 P 0.00 4.63 0.00 2.12 2.03 0.00 3.76 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 1.99 1.96 0.00 37 V 8.56 4.55 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 0.76 0.00 0.00 1.00 0.00 0.00 38 S 8.65 4.21 0.00 3.88 3.77 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 39 P 0.00 4.66 0.00 2.08 2.04 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 40 E 7.24 4.80 0.00 1.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 41 M 6.42 4.49 0.00 1.90 1.73 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 2.61 2.52 0.00 42 R 8.09 5.51 0.00 1.86 1.90 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 43 V 7.66 4.72 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 0.94 0.00 0.00 0.93 0.00 0.00 44 V 8.69 4.20 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 0.70 0.00 0.00 0.93 0.00 0.00 45 V 6.93 3.17 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 0.82 0.00 0.00 1.06 0.00 0.00 46 E 7.78 4.37 0.00 2.16 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 2.35 2.29 0.00 47 E 8.67 3.75 0.00 2.29 2.14 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 2.26 2.29 0.00 48 G 8.47 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 49 V 7.16 4.18 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 0.63 0.00 0.00 0.97 0.00 0.00 50 V 8.21 4.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 51 R 8.37 4.62 0.00 1.82 1.85 0.00 3.25 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 52 V 7.91 4.47 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 0.81 0.00 0.00 0.93 0.00 0.00 53 E 8.75 4.80 0.00 1.99 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 2.29 2.19 0.00 54 R 8.06 4.63 0.00 1.82 1.78 0.00 3.11 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.47 0.00 55 P 0.00 4.22 0.00 2.18 2.17 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 56 S 7.75 4.75 0.00 3.99 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 57 D 8.24 4.95 0.00 2.62 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 58 E 7.91 4.33 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 59 R 8.52 3.84 0.00 1.91 1.91 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 60 R 8.02 3.88 0.00 1.80 1.98 0.00 3.12 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 61 H 8.06 4.23 0.00 3.17 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.92 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 3.83 0.00 1.84 1.94 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.63 7.81 63 S 8.14 4.30 0.00 4.13 3.91 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 64 L 8.04 3.92 0.00 1.86 1.74 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.26 4.41 0.00 3.13 3.41 0.00 5.99 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 66 G 8.78 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.30 3.92 0.00 1.68 1.88 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.43 3.81 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 69 R 7.94 3.84 0.00 1.79 1.96 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 70 T 8.41 3.82 4.39 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 1.20 0.00 0.00 71 L 7.91 3.94 0.00 1.79 1.76 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.21 3.82 2.00 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 1.67 1.05 0.91 0.00 0.00 73 A 8.10 3.98 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 74 N 8.52 4.32 0.00 2.94 2.89 0.00 0.00 6.99 8.13 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 75 A 7.75 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.56 3.66 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 1.05 0.00 0.00 0.97 0.00 0.00 77 K 8.22 4.11 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 78 G 7.81 3.83 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 0.00 0.00 0.00 79 V 7.28 4.41 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 0.88 0.00 0.00 1.00 0.00 0.00 80 S 7.53 5.38 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.18 3.55 0.00 2.00 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 0.00 2.08 2.09 0.00 82 G 7.75 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 0.00 0.00 0.00 83 Y 6.33 4.82 0.00 3.04 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 0.00 0.00 0.00 0.00 84 S 8.97 4.03 0.00 4.01 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 85 K 8.87 3.97 0.00 1.99 1.92 0.00 1.82 0.00 0.00 2.00 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.36 7.81 86 E 8.45 5.19 0.00 2.12 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 2.21 2.30 0.00 87 L 10.29 5.18 0.00 1.63 1.73 0.99 0.72 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 88 L 8.86 5.11 0.00 1.71 1.55 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.07 4.72 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.94 0.00 0.00 90 K 8.43 4.57 0.00 1.52 1.60 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 0.78 7.81 91 G 8.66 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 0.00 0.00 0.00 92 I 8.64 3.69 1.93 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 1.34 1.10 0.94 0.00 0.00 93 G 9.51 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 0.00 0.00 0.00 94 Y 8.39 4.34 0.00 3.31 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 95 R 7.62 4.54 0.00 2.20 2.05 0.00 2.72 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 96 A 8.63 5.25 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 97 R 9.08 4.50 0.00 1.86 1.24 0.00 3.19 0.00 0.00 3.15 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 98 L 8.13 4.99 0.00 1.69 1.64 0.99 0.93 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 99 V 7.93 4.29 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 0.94 0.00 0.00 0.94 0.00 0.00 100 G 8.55 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.59 4.27 0.00 1.77 1.89 0.00 3.13 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 102 A 7.94 4.51 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 0.00 103 L 8.70 4.86 0.00 1.72 1.45 0.82 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.79 5.21 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 105 L 9.24 5.05 0.00 1.64 1.69 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.47 4.44 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 107 V 7.87 3.74 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.80 0.00 0.00 108 G 7.74 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 0.00 0.00 0.00 109 F 7.12 4.46 0.00 3.30 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 0.00 110 S 8.76 4.63 0.00 4.02 4.01 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 0.00 111 H 8.36 4.36 0.00 3.03 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.73 0.00 2.06 2.04 0.00 3.48 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 113 V 8.19 4.50 2.28 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 0.83 0.00 0.00 0.95 0.00 0.00 114 V 8.51 4.84 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 0.95 0.00 0.00 115 V 8.25 4.46 2.17 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 0.91 0.00 0.00 0.96 0.00 0.00 116 E 8.43 4.11 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 117 P 0.00 4.13 0.00 1.63 0.53 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 118 P 0.00 4.42 0.00 2.21 2.19 0.00 3.57 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 2.00 1.94 0.00 119 E 8.44 4.00 0.00 1.91 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 2.26 2.29 0.00 120 G 9.13 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 0.00 121 I 7.09 4.70 1.85 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 1.18 0.63 0.63 0.00 0.00 122 T 8.82 4.46 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 1.18 0.00 0.00 123 F 8.63 5.68 0.00 2.89 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 0.00 124 E 9.04 4.80 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 125 V 7.89 5.02 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 1.21 0.00 0.00 0.97 0.00 0.00 126 P 0.00 4.41 0.00 2.23 2.21 0.00 3.75 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 2.01 2.03 0.00 127 E 7.53 4.71 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 2.24 2.38 0.00 128 P 0.00 4.87 0.00 2.22 2.28 0.00 3.80 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 2.03 1.90 0.00 129 T 7.55 4.93 4.49 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 1.22 0.00 0.00 130 R 7.93 4.88 0.00 1.75 1.83 0.00 3.08 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 131 V 9.33 4.83 2.04 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 0.91 0.00 0.00 0.88 0.00 0.00 132 R 8.61 4.99 0.00 2.07 1.99 0.00 2.86 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 133 V 8.67 4.94 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.20 0.00 0.00 134 S 8.98 4.85 0.00 3.26 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 0.00 135 G 8.21 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 0.00 0.00 0.00 0.00 136 I 8.38 4.26 1.91 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 1.29 0.73 1.01 0.00 0.00 137 D 8.52 4.55 0.00 2.65 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 0.00 0.00 0.00 138 K 9.46 4.67 0.00 1.95 1.87 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.16 7.81 139 Q 7.92 3.78 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 140 K 8.10 4.02 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.66 7.81 141 V 7.77 3.70 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 1.11 0.00 0.00 1.00 0.00 0.00 142 G 8.55 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 0.00 143 Q 8.15 4.09 0.00 2.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 144 V 8.59 3.71 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.05 0.00 0.00 145 A 8.66 4.08 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 0.00 146 A 8.36 4.05 1.48 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 0.00 147 N 8.35 4.18 0.00 2.94 2.98 0.00 0.00 6.92 7.45 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 0.00 148 I 7.91 3.79 2.05 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 1.77 0.93 0.84 0.00 0.00 149 R 7.99 3.73 0.00 1.56 1.79 0.00 2.44 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 150 A 7.96 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 7.30 3.90 1.98 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 1.61 0.86 1.10 0.00 0.00 152 R 7.57 4.70 0.00 1.92 1.82 0.00 3.17 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 153 K 8.05 4.29 0.00 1.75 1.67 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.32 7.81 154 P 0.00 4.16 0.00 1.77 0.49 0.00 3.20 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.34 0.00 155 S 7.32 3.52 0.00 4.01 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 0.00 156 A 7.77 3.56 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 0.00 157 Y 9.17 3.62 0.00 2.76 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 0.00 158 H 8.04 4.24 0.00 3.22 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.37 4.65 0.00 2.19 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 2.01 2.07 0.00 160 K 8.70 4.29 0.00 1.45 0.84 0.00 1.50 0.00 0.00 1.17 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.10 1.21 7.81 161 G 8.24 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.99 4.58 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.94 0.00 0.00 163 Y 8.95 4.44 0.00 3.01 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 0.00 164 Y 8.94 4.49 0.00 2.99 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 0.00 165 A 7.76 5.53 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 0.00 166 G 7.97 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 0.00 0.00 0.00 167 E 8.33 4.83 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 168 P 0.00 4.75 0.00 2.38 2.35 0.00 3.85 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 169 V 7.29 3.46 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 0.80 0.00 0.00 0.97 0.00 0.00 170 R 8.81 3.76 0.00 1.85 2.08 0.00 3.36 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 *171 L 7.69 4.14 0.00 1.41 1.48 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.