NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3975 8.2649 123.5798 52.4705 18.8979 175.2662 3 R 4.5262 8.3512 117.6211 58.2577 36.7355 175.4365 4 R 4.0824 9.0253 116.5112 58.8546 31.1312 176.7149 5 R 4.6818 7.5111 113.2076 54.5871 33.9649 174.8118 6 R 4.1913 8.5708 118.6299 55.2632 31.1140 177.5347 7 A 3.6742 7.8443 119.2365 52.6384 17.2245 176.0044 8 E 4.4704 8.4403 114.7975 54.7959 32.3986 175.5055 9 V 3.6115 8.4423 123.9335 63.2728 32.0514 175.2932 10 R 4.3885 8.2986 125.1258 54.5361 30.9175 176.3340 11 Q 4.0372 8.6568 122.6810 55.7228 29.0137 176.5301 12 L 3.9863 8.4644 123.2114 54.7904 42.1980 177.2712 13 Q 3.9970 8.5204 120.8912 55.2083 28.0463 174.4499 14 P 4.2672 0.0000 0.0000 62.2944 31.6410 175.0901 15 D 4.5913 8.3107 117.4124 54.5075 41.8280 175.9420 16 L 4.4356 8.2914 119.1655 56.3862 43.7678 178.8157 17 V 3.7517 8.0601 116.0056 65.1691 31.6995 175.9872 18 Y 4.3744 7.7028 114.2323 56.2057 40.0773 173.1553 19 G 4.2018 8.4905 111.1381 44.3421 0.0000 170.8618 20 D 4.3703 7.7346 118.7560 52.4413 44.6183 177.3451 21 V 3.6460 8.2514 120.6738 64.6478 31.4893 178.4079 22 L 4.0424 8.0501 116.8490 57.9509 41.2893 179.2473 23 V 3.7724 8.0983 119.0048 65.8083 31.6407 177.5961 24 T 3.8345 7.6619 107.3934 63.1590 68.3652 175.2029 25 A 4.0070 8.2876 123.5766 55.6897 18.0374 178.8738 26 F 4.5063 8.6495 119.1549 60.5189 40.1558 176.9534 27 I 3.5800 7.4147 119.1933 64.6751 36.6542 177.7075 28 N 4.2792 7.9512 115.9737 56.3433 38.4355 176.9639 29 K 4.1954 7.1403 115.2439 58.7218 32.5664 178.9533 30 I 3.6243 7.6541 119.7490 63.3865 37.7720 177.1085 31 M 4.2820 7.6107 119.1710 54.3659 30.4047 174.9346 32 R 3.9250 7.6632 120.1749 56.7821 30.5319 175.8699 33 D 4.6998 8.8240 125.4766 55.7219 39.5291 172.7547 34 G 2.9878 6.7754 107.8145 44.5990 0.0000 172.1299 35 K 4.3077 7.4126 121.6411 54.7164 34.0431 176.4129 36 K 4.0909 8.6744 127.7425 58.0834 32.7698 176.9977 37 N 4.5163 7.9701 116.2490 56.3101 39.2980 175.9462 38 L 3.8177 7.7986 118.7608 58.6232 42.4806 178.5705 39 A 4.0528 8.0863 120.2964 55.3474 18.5857 178.6831 40 A 4.4749 7.7251 115.3905 52.7283 18.3879 178.1837 41 R 4.6071 8.5435 117.7981 58.2430 32.9723 177.3972 42 I 4.1888 7.7890 114.4877 62.0865 36.7103 176.3342 43 F 4.5654 8.5409 119.9189 58.1225 40.5623 176.9808 44 Y 4.6984 8.5548 117.0233 57.8423 37.3920 175.3072 45 D 4.8171 8.7465 119.6208 53.7745 45.8121 177.1405 46 A 3.9106 8.3321 121.8627 55.1347 18.2814 179.2645 47 C 3.9385 7.9595 112.3395 61.4733 29.8169 176.0024 48 K 4.0838 8.0899 120.2211 58.5671 31.2583 179.1720 49 I 3.6819 7.6272 120.7027 64.3979 36.7443 178.1940 50 I 3.7391 7.2111 120.0648 64.6395 36.8317 178.3429 51 Q 3.9273 7.9966 118.4519 56.6517 28.9915 177.5174 52 E 4.2319 8.5415 116.9507 56.7639 29.0696 177.8970 53 K 4.4848 5.6600 123.4300 60.3999 32.9856 176.7962 54 T 4.1458 7.5809 116.2896 62.9279 68.8567 176.0980 55 G 3.9120 8.7854 112.5219 46.7793 0.0000 172.8224 56 Q 4.6875 7.8541 117.7751 53.4622 32.7104 175.2652 57 E 4.2595 8.4625 119.5607 55.3806 30.5550 176.3526 58 P 4.2608 0.0000 0.0000 66.2515 30.7978 178.2133 59 L 4.1323 8.0758 118.5892 58.1596 41.9141 178.6345 60 K 4.2280 7.8811 116.3563 57.5709 33.3490 177.9815 61 V 4.1408 7.7971 121.7758 61.5576 31.5566 175.1886 62 F 4.7950 8.0647 133.4649 58.5168 38.6095 176.9664 63 K 4.2577 9.2000 116.8547 56.4408 32.6062 177.5425 64 Q 3.9883 8.4278 123.0652 59.2426 29.0316 176.5833 65 A 3.8670 7.8706 121.7890 54.8799 18.2683 179.1437 66 V 3.4467 7.6376 115.6055 66.1374 31.5201 177.5882 67 E 4.0107 7.6980 117.3707 59.5062 29.6649 178.1818 68 N 4.5253 7.6472 112.8176 53.6028 39.5027 175.2700 69 V 4.0695 7.3594 119.9580 62.6021 32.0575 176.7411 70 K 4.4920 7.5022 117.5275 53.8700 32.4183 174.8356 71 P 4.6027 0.0000 0.0000 61.9794 33.5749 176.8851 72 R 4.5472 8.4823 114.7480 56.4179 31.4757 174.5531 73 M 4.9276 7.4716 116.8695 53.9704 35.5257 172.9750 74 E 4.6561 8.2087 115.8564 56.5700 31.8160 174.1200 75 V 4.3317 8.2914 118.6185 61.4977 32.7624 174.8932 76 R 4.5219 8.0807 125.9354 56.3471 33.3030 173.7251 77 S 4.6069 8.1162 110.8870 58.5975 65.1334 174.6457 78 R 4.3779 8.0539 121.5945 55.6875 32.5679 174.4343 79 R 4.5125 8.3888 123.5932 55.0229 31.3717 174.3263 80 V 4.3027 7.7751 115.3491 61.6544 34.2453 176.2662 81 G 4.9198 7.3876 115.9546 44.5173 0.0000 174.2249 82 G 5.0111 7.4316 122.8804 46.1200 0.0000 172.4604 83 A 4.5313 7.4085 120.7566 50.1250 22.3718 174.4599 84 N 4.7191 7.9762 116.3124 52.0680 40.6800 173.2191 85 Y 5.0003 8.2625 122.8504 55.9542 41.2015 174.9720 86 Q 4.0760 9.1726 123.9460 57.0018 29.4632 177.0198 87 V 4.2528 8.4337 125.4648 60.5984 31.8758 173.4384 88 P 4.8308 0.0000 0.0000 62.6959 32.5564 175.9492 89 M 4.5855 8.2639 116.2821 55.6436 34.0166 173.8979 90 E 3.8601 9.1411 118.9519 57.1487 30.1263 176.9214 91 V 4.4548 8.3005 125.1881 60.9952 33.6550 174.7157 92 S 4.8714 8.1898 119.8818 55.3058 65.7867 173.3018 93 P 4.2958 0.0000 0.0000 65.2229 30.6978 178.1761 94 R 3.8084 7.9970 118.1017 59.9746 30.0838 177.3307 95 R 4.2077 7.8760 116.8777 58.3209 30.4160 177.8744 96 Q 4.0019 7.7882 118.6535 59.0962 28.4807 179.2104 97 Q 3.9549 7.6749 116.7868 59.6286 28.8182 178.9880 98 S 4.2621 7.9411 117.0353 61.0721 63.1300 176.5726 99 L 4.0902 8.6919 121.5927 57.4434 41.1161 178.9357 100 A 4.2932 8.2744 119.7361 53.6494 18.2965 178.1565 101 L 4.1100 7.6597 116.3580 54.1969 42.5119 178.0791 102 R 3.7077 8.4433 120.5057 59.0313 29.9894 177.9455 103 W 4.3919 8.4711 119.2783 59.1556 28.9124 178.1090 104 L 3.9952 7.2325 117.8096 58.6605 41.4073 179.1386 105 V 3.7786 8.2625 117.8284 66.4503 31.1982 177.7362 106 Q 4.1885 8.0721 116.3381 59.2918 28.2338 177.7794 107 A 4.5459 8.5314 119.5863 52.1796 18.4231 177.2117 108 A 4.6684 8.3500 119.1242 52.0823 19.6067 176.2078 109 N 4.8773 7.3145 110.8118 55.3603 41.9028 176.2368 110 Q 4.3841 7.6922 124.0115 56.0433 27.0351 174.9170 111 R 4.6913 7.7705 119.4164 53.7580 34.2278 173.8827 112 P 5.0064 0.0000 0.0000 63.4045 32.4671 176.8345 113 E 4.8112 7.4759 119.5698 57.6789 29.7521 175.6449 114 R 4.6236 8.2055 127.9156 55.7089 31.7283 175.1986 115 R 4.0204 8.6515 122.2339 57.0815 31.9590 176.6474 116 A 3.9210 8.7192 120.5472 55.9303 18.2874 179.5060 117 A 4.2827 7.9072 119.2471 55.2840 18.3975 179.7281 118 V 3.5093 7.7620 115.4244 66.2152 31.4549 178.2613 119 R 3.9333 7.7564 116.3959 59.4069 30.1174 178.5761 120 I 3.7557 8.4242 119.5582 64.5057 37.1581 177.8619 121 A 4.2094 7.8700 120.6219 55.8658 18.0484 179.2484 122 H 4.4576 8.1268 109.2123 56.9256 28.6887 175.8441 123 E 4.6485 8.1633 121.3850 55.9311 31.9664 177.5145 124 L 3.9138 8.7371 119.0867 58.1898 41.8950 178.5664 125 M 4.1755 7.9873 117.0850 58.2764 32.0546 176.4807 126 D 4.8574 7.9759 118.6954 54.9354 41.2934 176.1707 127 A 4.7394 7.9421 117.5188 50.7503 19.5472 176.2893 128 A 4.5739 7.6426 122.1965 52.9966 22.5729 177.7645 129 E 3.8151 8.5080 117.9607 55.4660 31.4272 177.7599 130 G 4.9666 6.6575 125.5677 46.5080 0.0000 172.3130 131 K 4.5095 7.6516 116.8278 55.9372 35.7773 174.4378 132 G 4.1097 8.1082 111.9071 44.5216 0.0000 175.6634 133 G 4.0801 8.8577 111.1186 45.3761 0.0000 173.9890 134 A 4.1703 8.0501 122.3898 53.9395 18.2100 179.0580 135 V 3.3801 8.4047 117.8024 65.3808 32.0896 175.9466 136 K 3.7821 8.2349 118.0661 59.9658 31.8002 178.2274 137 K 4.9083 8.6786 119.9449 58.8137 32.1766 179.3767 138 K 3.6266 8.1048 119.5530 59.6128 32.4581 178.5324 139 E 4.7854 8.4494 120.3386 58.7301 29.2262 179.1044 140 D 4.3652 7.8565 118.9832 57.5577 41.0495 178.9186 141 V 3.6904 7.9004 118.3751 66.1628 31.5000 177.8819 142 E 4.0795 8.0706 117.9844 59.1541 29.1152 179.0258 143 R 4.1258 7.9328 116.7504 58.0347 31.0066 177.4178 144 M 4.4682 7.5843 119.6398 55.7730 30.7595 174.8763 145 A 4.5912 7.4777 127.8682 49.6554 21.6018 177.4888 146 E 3.6413 9.4552 117.9774 59.1343 27.9411 175.5738 147 A 4.5069 8.9082 123.1246 52.9373 19.4707 179.3381 148 N 4.2547 8.2188 116.7192 55.5636 43.9654 177.1793 149 R 3.7756 7.6888 116.6887 58.5041 30.2202 177.1305 150 A 4.0333 7.3146 119.2069 54.8943 18.7901 177.6937 151 Y 4.6582 7.2883 116.3224 57.3621 36.2558 174.3043 152 A 4.5134 7.5275 123.7348 53.8836 21.6763 177.5403 153 H 4.2162 8.4695 109.7207 58.6962 28.6635 175.2162 154 Y 4.2693 7.3227 118.5877 58.0462 36.8735 175.0518 155 R 4.4438 8.2398 123.9343 54.6547 32.7147 176.5822 156 W 3.9875 7.9332 121.1875 57.2272 29.1290 173.8489 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 A 8.26 4.40 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 3 R 8.35 4.53 0.00 1.80 1.89 0.00 3.27 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 4 R 9.03 4.08 0.00 1.79 2.01 0.00 3.14 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 5 R 7.51 4.68 0.00 1.72 1.76 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 6 R 8.57 4.19 0.00 1.75 1.92 0.00 3.37 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 7 A 7.84 3.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.44 4.47 0.00 1.90 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 2.21 2.28 0.00 9 V 8.44 3.61 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 0.80 0.00 0.00 0.94 0.00 0.00 10 R 8.30 4.39 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 11 Q 8.66 4.04 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 12 L 8.46 3.99 0.00 1.62 1.62 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.52 4.00 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 14 P 0.00 4.27 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 15 D 8.31 4.59 0.00 2.99 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 16 L 8.29 4.44 0.00 1.66 1.66 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.06 3.75 2.30 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 0.58 0.00 0.00 1.08 0.00 0.00 18 Y 7.70 4.37 0.00 3.10 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 19 G 8.49 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.73 4.37 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.25 3.65 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 0.81 0.00 0.00 0.95 0.00 0.00 22 L 8.05 4.04 0.00 1.77 1.71 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.10 3.77 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 0.92 0.00 0.00 0.97 0.00 0.00 24 T 7.66 3.83 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 25 A 8.29 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.65 4.51 0.00 3.09 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 27 I 7.41 3.58 1.84 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.87 0.74 0.00 0.00 28 N 7.95 4.28 0.00 3.05 2.91 0.00 0.00 7.07 7.36 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 29 K 7.14 4.20 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.74 7.81 30 I 7.65 3.62 1.86 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 -0.36 0.86 0.00 0.00 31 M 7.61 4.28 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 32 R 7.66 3.92 0.00 1.95 1.90 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 33 D 8.82 4.70 0.00 2.86 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 34 G 6.78 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 0.00 0.00 0.00 35 K 7.41 4.31 0.00 1.73 1.64 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.40 7.81 36 K 8.67 4.09 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 37 N 7.97 4.52 0.00 2.82 2.77 0.00 0.00 6.67 6.54 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 38 L 7.80 3.82 0.00 1.77 1.84 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.09 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.73 4.47 1.38 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 0.00 0.00 41 R 8.54 4.61 0.00 2.06 1.91 0.00 3.08 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.85 0.00 42 I 7.79 4.19 1.98 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 1.36 0.81 0.89 0.00 0.00 43 F 8.54 4.57 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.55 4.70 0.00 2.98 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 45 D 8.75 4.82 0.00 2.79 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 46 A 8.33 3.91 1.08 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 47 C 7.96 3.94 0.00 3.17 3.18 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 48 K 8.09 4.08 0.00 2.00 2.08 0.00 1.94 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.58 1.59 7.81 49 I 7.63 3.68 2.10 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.90 0.00 0.00 50 I 7.21 3.74 2.06 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 1.40 0.84 0.99 0.00 0.00 51 Q 8.00 3.93 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 52 E 8.54 4.23 0.00 2.18 1.52 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 2.28 2.46 0.00 53 K 5.66 4.48 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 54 T 7.58 4.15 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 55 G 8.79 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 0.00 0.00 0.00 56 Q 7.85 4.69 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 57 E 8.46 4.26 0.00 2.05 1.90 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 2.42 2.31 0.00 58 P 0.00 4.26 0.00 2.26 2.48 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 59 L 8.08 4.13 0.00 1.71 1.81 1.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.88 4.23 0.00 2.01 1.88 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.60 7.81 61 V 7.80 4.14 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 0.73 0.00 0.00 1.00 0.00 0.00 62 F 8.06 4.79 0.00 3.07 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 0.00 0.00 0.00 63 K 9.20 4.26 0.00 1.87 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.12 0.55 7.81 64 Q 8.43 3.99 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 65 A 7.87 3.87 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 66 V 7.64 3.45 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 0.83 0.00 0.00 0.83 0.00 0.00 67 E 7.70 4.01 0.00 1.98 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 0.00 2.29 2.35 0.00 68 N 7.65 4.53 0.00 2.56 2.69 0.00 0.00 6.86 9.02 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 69 V 7.36 4.07 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 0.73 0.00 0.00 0.89 0.00 0.00 70 K 7.50 4.49 0.00 1.72 1.65 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.55 7.81 71 P 0.00 4.60 0.00 2.22 2.07 0.00 3.75 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 2.04 2.10 0.00 72 R 8.48 4.55 0.00 1.78 1.96 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 73 M 7.47 4.93 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 74 E 8.21 4.66 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 75 V 8.29 4.33 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 0.86 0.00 0.00 0.94 0.00 0.00 76 R 8.08 4.52 0.00 2.05 1.82 0.00 3.49 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 77 S 8.12 4.61 0.00 3.78 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 78 R 8.05 4.38 0.00 1.74 1.70 0.00 3.51 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 79 R 8.39 4.51 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 80 V 7.78 4.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.98 0.00 0.00 81 G 7.39 4.92 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 82 G 7.43 5.01 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 0.00 0.00 0.00 83 A 7.41 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.98 4.72 0.00 2.54 2.54 0.00 0.00 6.71 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.26 5.00 0.00 2.97 2.79 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 86 Q 9.17 4.08 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 87 V 8.43 4.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.70 0.00 0.00 88 P 0.00 4.83 0.00 2.23 2.29 0.00 4.32 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 89 M 8.26 4.59 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 90 E 9.14 3.86 0.00 2.01 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 2.35 2.37 0.00 91 V 8.30 4.45 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 1.08 0.00 0.00 92 S 8.19 4.87 0.00 4.01 3.93 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 93 P 0.00 4.30 0.00 2.29 2.36 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 94 R 8.00 3.81 0.00 1.81 2.05 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 95 R 7.88 4.21 0.00 1.93 1.92 0.00 3.28 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 96 Q 7.79 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 97 Q 7.67 3.95 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.71 2.42 0.00 98 S 7.94 4.26 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.69 4.09 0.00 1.75 1.85 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.27 4.29 1.35 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 0.00 101 L 7.66 4.11 0.00 1.21 0.13 1.01 0.39 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 0.00 102 R 8.44 3.71 0.00 1.84 1.81 0.00 2.62 0.00 0.00 2.80 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 103 W 8.47 4.39 0.00 3.38 3.18 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 0.00 104 L 7.23 4.00 0.00 1.47 1.83 0.38 0.83 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 0.00 105 V 8.26 3.78 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.28 0.00 0.00 106 Q 8.07 4.19 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 107 A 8.53 4.55 1.49 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 0.00 108 A 8.35 4.67 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 0.00 109 N 7.31 4.88 0.00 2.74 2.71 0.00 0.00 6.92 6.98 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 0.00 110 Q 7.69 4.38 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 111 R 7.77 4.69 0.00 1.82 1.77 0.00 3.17 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 112 P 0.00 5.01 0.00 2.18 2.14 0.00 3.73 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 1.99 1.98 0.00 113 E 7.48 4.81 0.00 1.96 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 2.28 2.48 0.00 114 R 8.21 4.62 0.00 1.75 1.69 0.00 3.24 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 115 R 8.65 4.02 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 116 A 8.72 3.92 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 0.00 117 A 7.91 4.28 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.76 3.51 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 1.10 0.00 0.00 0.92 0.00 0.00 119 R 7.76 3.93 0.00 1.98 2.00 0.00 3.26 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 120 I 8.42 3.76 1.97 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 1.37 1.07 0.82 0.00 0.00 121 A 7.87 4.21 1.35 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 0.00 122 H 8.13 4.46 0.00 3.32 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.16 4.65 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 124 L 8.74 3.91 0.00 1.61 1.72 0.92 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 M 7.99 4.18 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 126 D 7.98 4.86 0.00 3.02 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 0.00 127 A 7.94 4.74 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 0.00 128 A 7.64 4.57 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 0.00 129 E 8.51 3.82 0.00 1.95 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 2.25 0.00 130 G 6.66 4.97 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 0.00 0.00 0.00 131 K 7.65 4.51 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.26 1.37 7.81 132 G 8.11 4.11 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 0.00 0.00 0.00 133 G 8.86 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 0.00 134 A 8.05 4.17 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 0.00 135 V 8.40 3.38 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 0.91 0.00 0.00 0.79 0.00 0.00 136 K 8.23 3.78 0.00 1.93 1.74 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.60 7.81 137 K 8.68 4.91 0.00 2.77 2.26 0.00 2.04 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.55 7.81 138 K 8.10 3.63 0.00 0.79 1.44 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.05 7.81 139 E 8.45 4.79 0.00 2.10 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 2.26 2.24 0.00 140 D 7.86 4.37 0.00 2.99 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 0.00 141 V 7.90 3.69 2.39 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 1.16 0.00 0.00 1.34 0.00 0.00 142 E 8.07 4.08 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 143 R 7.93 4.13 0.00 1.97 1.99 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 144 M 7.58 4.47 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.93 0.00 145 A 7.48 4.59 1.08 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 0.00 146 E 9.46 3.64 0.00 2.10 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 2.26 2.19 0.00 147 A 8.91 4.51 1.18 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 0.00 148 N 8.22 4.25 0.00 2.72 2.81 0.00 0.00 6.69 7.41 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 0.00 149 R 7.69 3.78 0.00 1.79 1.97 0.00 3.19 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 150 A 7.31 4.03 1.12 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 0.00 151 Y 7.29 4.66 0.00 3.33 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 0.00 152 A 7.53 4.51 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 0.00 153 H 8.47 4.22 0.00 3.26 3.38 0.00 5.53 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.32 4.27 0.00 2.59 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.24 4.44 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 156 W 7.93 3.99 0.00 3.59 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