NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5210 8.1933 115.4236 57.9188 64.8493 174.1754 1 T 3.7661 8.5860 117.4522 65.2040 67.9732 175.3442 2 S 4.5673 8.7102 118.9423 61.0378 63.9075 175.9623 3 A 3.6474 7.8009 125.2291 54.1824 18.1318 179.3892 4 K 3.8307 7.9353 117.7657 59.5983 32.1615 178.9526 5 R 3.8606 7.8379 118.4180 59.5188 29.9652 178.4302 6 I 3.2276 7.7111 119.6803 64.3076 37.0080 178.1667 7 Q 3.9360 8.3652 120.6815 58.9895 28.8795 178.1523 8 K 3.9223 8.1296 120.5920 59.7949 32.2462 178.6911 9 E 4.1385 8.5693 118.9508 59.0468 29.3044 179.1484 10 L 4.1497 8.5315 120.9285 58.0654 42.1678 178.8336 11 A 3.9806 8.1241 120.8203 54.9959 18.2784 179.1542 12 E 3.8615 8.2485 117.8444 59.6588 29.7182 179.0094 13 I 3.8392 8.0959 118.5243 64.0484 37.7930 178.0193 14 T 3.9438 7.7533 116.2955 66.3905 68.3581 176.1330 15 L 4.2303 7.7601 121.0398 57.0175 43.5255 177.0139 16 D 4.8390 7.9296 117.5168 51.4781 41.1817 173.4734 17 P 4.6542 0.0000 0.0000 61.0658 32.3891 175.6875 18 P 4.5087 0.0000 0.0000 61.4194 32.0509 174.4152 19 P 4.2617 0.0000 0.0000 64.5001 31.8305 176.0825 20 N 4.3721 9.1979 117.6539 54.0012 36.0588 172.7932 21 C 5.4553 7.8453 116.8169 58.0182 34.9039 173.2004 22 S 4.9652 9.1595 118.9565 57.0817 66.6534 172.4587 23 A 4.9485 7.8000 119.7811 51.2048 21.9524 175.6407 24 G 2.8454 8.2302 107.2355 44.5902 0.0000 170.7936 25 P 4.6761 0.0000 0.0000 62.5919 31.2034 177.7652 26 K 4.1064 9.1102 123.0414 59.1470 31.3504 177.4724 27 G 4.0395 7.2432 105.6571 45.7491 0.0000 173.4346 28 D 4.4229 8.9047 118.8474 56.9065 41.2214 175.9274 29 N 4.6052 7.6586 117.0682 52.8246 37.8796 175.1576 30 I 4.0398 8.3958 126.2390 63.0376 38.4043 176.0873 31 Y 4.2599 8.6894 116.9676 59.5088 38.2784 174.2857 32 E 5.1579 8.4924 119.9924 54.6439 32.1042 175.2458 33 W 5.4044 9.5084 124.9506 54.9257 32.9326 175.0222 34 R 5.1916 8.9756 120.8770 54.8197 33.3995 174.0086 35 S 5.2224 9.0390 116.9245 56.8856 66.6312 172.5125 36 T 5.2471 8.9159 121.6059 61.9001 71.3339 173.1061 37 I 4.9687 9.0039 127.2472 59.4803 40.3861 174.6306 38 L 4.9651 9.0627 127.5545 53.2725 42.6340 177.0359 39 G 4.6531 9.0491 110.6030 45.4611 0.0000 171.2858 40 P 4.6339 0.0000 0.0000 62.0414 31.9823 174.1372 41 P 4.5180 0.0000 0.0000 64.4233 31.6171 176.7434 42 G 3.9819 9.9785 112.5399 45.1288 0.0000 173.6480 43 S 4.6407 7.9461 114.6291 56.7306 64.5648 175.6217 44 V 3.5959 8.0534 113.6608 63.8305 31.3136 176.8133 45 Y 5.0288 7.4971 115.8356 56.6580 38.3578 175.1665 46 E 4.4576 7.3246 121.4518 57.1599 30.0769 177.0989 47 G 4.0451 9.1179 113.8690 45.2303 0.0000 173.8217 48 G 3.7224 7.8303 106.7805 45.7218 0.0000 173.0116 49 V 4.5638 7.9723 122.3347 60.7843 33.7691 174.6803 50 F 4.6324 9.2110 127.2652 55.6004 41.9165 174.6109 51 F 5.6245 8.9291 121.9021 55.9577 41.4609 174.8275 52 L 5.1260 8.8714 121.9876 53.0419 45.7351 175.0890 53 D 5.2122 8.9108 122.1403 52.9040 43.5074 175.5599 54 I 4.8928 8.6369 122.6426 59.7513 41.0041 174.5000 55 T 4.9609 8.4561 123.0942 61.7696 71.6154 173.0808 56 F 4.5474 8.8994 126.0742 55.9495 40.4866 176.2797 57 S 4.4322 8.6408 116.7318 57.4122 63.0182 173.3529 58 P 4.5132 0.0000 0.0000 65.2855 31.3462 177.0612 59 D 4.9199 8.8166 117.8398 54.0639 41.0147 175.5527 60 Y 4.3786 8.0242 122.3466 57.6498 39.1310 174.4917 61 P 3.5312 0.0000 0.0000 62.4282 31.4222 176.4590 62 F 4.7890 7.8003 117.4493 58.6851 39.3143 175.9066 63 K 4.6252 7.6648 119.8256 53.3179 35.2210 174.3393 64 P 2.9700 0.0000 0.0000 60.9021 31.8465 174.2976 65 P 4.0514 0.0000 0.0000 62.6146 32.2290 175.4290 66 K 4.1564 8.5178 123.9929 55.7212 33.3712 175.5726 67 V 4.8689 8.2218 127.0653 61.2683 34.1788 174.5402 68 T 4.9895 8.7019 117.1709 59.6505 72.7928 173.2481 69 F 4.3148 9.1817 123.6028 58.1459 39.3360 176.4886 70 R 4.1534 9.1801 124.1498 59.3013 30.8175 177.6957 71 T 4.3070 8.0740 115.4044 62.8097 69.2058 175.1610 72 R 4.0869 8.7009 127.1564 56.4645 30.7572 175.3533 73 I 4.9733 8.2259 123.5616 59.6369 41.1732 173.8744 74 Y 4.1642 8.7721 127.1767 56.6705 38.5244 174.2722 75 H 4.5165 7.6537 125.3960 54.8132 33.0967 174.3455 76 C 4.0213 8.4244 121.5650 60.5838 29.7376 174.5061 77 N 4.7549 8.2409 116.2556 52.7484 38.6234 173.9267 78 I 4.8071 7.4582 119.2871 59.5773 40.4011 174.8692 79 N 4.8181 8.4599 124.1614 51.0452 39.4048 175.5920 80 S 4.2817 8.5251 111.4242 60.4853 63.2216 174.5757 81 Q 4.3200 8.4797 119.6636 55.3825 28.8394 176.1882 82 G 4.3450 8.4151 106.0485 46.1106 0.0000 173.9096 83 V 3.9481 7.7995 119.8726 62.5719 32.0996 174.5178 84 I 4.7063 8.1488 127.5470 59.7884 38.8191 175.2291 85 C 4.3902 8.9804 129.4544 58.5890 31.2549 172.0595 86 L 4.6428 8.1225 127.7316 52.4654 44.7772 175.5631 87 D 4.4803 9.3743 127.5151 56.9961 38.8814 178.8569 88 I 3.9089 7.7529 111.4558 62.0525 37.8748 176.6715 89 L 4.5143 7.8632 120.0156 53.0258 42.3423 176.3207 90 K 4.5734 8.7574 115.8075 57.5274 31.9012 178.1592 91 D 4.5611 9.5403 120.2079 55.8740 41.7804 176.3027 92 N 4.7935 8.0290 115.9378 52.7526 39.0255 174.3872 93 W 4.5007 7.6738 125.5327 57.4573 31.5832 175.3071 94 S 4.3754 6.5730 116.9307 55.6352 65.4027 172.9733 95 P 4.2026 0.0000 0.0000 64.2205 31.1184 177.3030 96 A 3.9168 7.4705 122.2559 54.5190 18.4591 177.9733 97 L 4.2093 6.8055 115.6655 54.3504 42.7148 176.1916 98 T 5.2150 7.8621 109.3255 59.3977 73.2551 174.5997 99 I 3.8264 9.4737 121.2428 64.1479 37.7837 178.1049 100 S 4.2144 8.2357 115.8197 61.7057 62.7621 176.6834 101 K 4.0507 8.0857 120.7756 59.2168 31.7398 179.6060 102 V 3.6669 8.0058 118.5754 66.2307 31.4868 178.2191 103 L 4.0435 8.2302 118.8442 57.5309 41.3475 179.1855 104 L 3.9628 8.3949 120.8984 58.3054 42.0444 179.0666 105 S 4.1340 8.2297 113.0422 61.3395 62.2766 176.2638 106 I 3.7859 8.0142 122.7315 64.3137 36.7725 177.9535 107 C 4.0644 8.2708 117.7342 63.1867 28.0386 176.2277 108 S 4.1605 8.3941 116.8592 61.8006 62.1928 176.7112 109 L 4.2717 7.6662 123.1026 57.6520 41.8741 178.7854 110 L 4.1559 7.7321 118.1704 57.8121 41.5345 179.3698 111 T 4.4530 7.5543 114.9419 65.0823 68.3862 174.5574 112 D 4.6209 8.7039 122.8784 52.2169 42.9953 175.1574 113 C 4.3544 8.3078 118.9855 58.0247 30.7403 173.9379 114 N 4.8246 9.2582 119.0774 50.5736 37.5973 173.8349 115 P 4.1769 0.0000 0.0000 64.8096 31.9691 178.2436 116 A 4.2099 7.8492 120.0456 53.3389 19.2325 176.6032 117 D 4.8124 7.7564 114.4141 51.6886 41.0240 172.9699 118 P 4.6238 0.0000 0.0000 61.7809 33.3797 176.4030 119 L 4.1914 8.2714 120.7800 55.8031 43.0941 176.3366 120 V 4.1816 8.0316 119.4068 60.2009 31.4550 175.7191 121 G 3.6588 8.4494 114.3698 47.3422 0.0000 172.8017 122 S 4.1332 8.0714 116.0525 61.6512 62.7843 176.7227 123 I 3.6936 7.6059 122.6081 63.6029 36.7981 177.9881 124 A 3.9419 7.7570 121.2354 55.6132 18.2309 179.7511 125 T 3.8334 8.1540 114.4606 66.9179 68.4999 176.6643 126 Q 3.9825 8.2177 121.4588 59.2371 28.8483 177.5066 127 Y 3.9196 8.0482 119.9451 60.8637 38.8374 177.7499 128 M 4.1032 7.7773 118.4248 58.0833 32.3675 178.2111 129 T 4.2662 7.8685 108.5340 62.7691 71.1731 174.7431 130 N 4.9133 8.1673 119.1086 50.3946 39.0201 174.0585 131 R 3.7408 7.9537 122.1272 59.0386 30.5726 176.9753 132 A 3.9394 7.9476 120.0222 55.3611 18.2793 179.1507 133 E 3.8120 8.1604 117.5303 59.4544 29.6596 178.0261 134 H 4.9130 8.1158 119.7664 59.1684 29.8314 176.8514 135 D 4.3320 8.4482 120.5175 57.0397 40.5444 178.6839 136 R 3.8110 7.9073 119.3484 59.7713 30.0201 178.5284 137 M 3.7479 7.9835 118.2236 58.0435 31.8187 178.5568 138 A 3.9661 7.8720 121.1787 55.2405 18.5852 179.7463 139 R 3.9991 7.9437 116.5406 59.5216 30.1053 178.9349 140 Q 3.9747 8.1791 119.1918 59.2957 29.0759 178.6700 141 W 3.8770 8.7481 120.0704 59.6668 28.9018 178.7832 142 T 4.1477 8.3083 116.0070 66.6939 67.7742 176.5674 143 K 4.0137 7.8729 121.3478 58.9536 32.2904 178.5268 144 R 3.8336 7.9111 118.1873 58.7020 30.0132 177.0955 145 Y 4.9955 7.9544 112.8617 57.3344 40.1110 176.1453 146 A 4.4941 8.2162 121.7803 51.6142 19.9613 176.2999 147 T 4.1258 7.6611 120.9987 64.7361 69.1670 174.0607 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 0 S 8.19 4.52 0.00 4.11 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 1 T 8.59 3.77 4.37 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 1.29 0.00 0.00 2 S 8.71 4.57 0.00 4.32 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.80 3.65 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 4 K 7.94 3.83 0.00 1.85 2.07 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.60 7.81 5 R 7.84 3.86 0.00 2.01 2.14 0.00 3.52 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.92 0.00 6 I 7.71 3.23 1.53 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.23 0.31 0.00 0.00 7 Q 8.37 3.94 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 8 K 8.13 3.92 0.00 1.94 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 9 E 8.57 4.14 0.00 2.18 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 0.00 2.41 2.58 0.00 10 L 8.53 4.15 0.00 2.00 1.88 0.33 1.08 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 11 A 8.12 3.98 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 12 E 8.25 3.86 0.00 2.11 2.25 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 2.37 2.36 0.00 13 I 8.10 3.84 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.29 1.13 0.00 0.00 14 T 7.75 3.94 4.34 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 1.17 0.00 0.00 15 L 7.76 4.23 0.00 1.72 1.87 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.93 4.84 0.00 2.67 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 4.65 0.00 2.33 2.14 0.00 3.39 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 18 P 0.00 4.51 0.00 2.24 2.05 0.00 3.82 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 2.17 2.16 0.00 19 P 0.00 4.26 0.00 2.07 2.03 0.00 3.84 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 2.06 2.15 0.00 20 N 9.20 4.37 0.00 3.01 3.09 0.00 0.00 6.52 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 21 C 7.85 5.46 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.16 4.97 0.00 3.87 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 23 A 7.80 4.95 1.46 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 0.00 0.00 0.00 24 G 8.23 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 0.00 0.00 0.00 25 P 0.00 4.68 0.00 1.82 1.93 0.00 3.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 26 K 9.11 4.11 0.00 1.77 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.33 7.81 27 G 7.24 4.04 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 0.00 0.00 0.00 28 D 8.90 4.42 0.00 2.70 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 29 N 7.66 4.61 0.00 2.88 2.82 0.00 0.00 6.68 7.28 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 30 I 8.40 4.04 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.69 0.00 0.00 31 Y 8.69 4.26 0.00 3.25 3.28 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 32 E 8.49 5.16 0.00 1.96 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 2.34 2.46 0.00 33 W 9.51 5.40 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.98 5.19 0.00 1.84 1.70 0.00 2.93 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 35 S 9.04 5.22 0.00 3.99 3.63 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 36 T 8.92 5.25 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 1.35 0.00 0.00 37 I 9.00 4.97 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.98 0.00 0.00 38 L 9.06 4.97 0.00 1.56 1.67 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 G 9.05 4.65 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 0.00 0.00 0.00 40 P 0.00 4.63 0.00 2.30 2.08 0.00 3.84 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 41 P 0.00 4.52 0.00 2.07 2.04 0.00 3.73 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 2.07 2.15 0.00 42 G 9.98 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 43 S 7.95 4.64 0.00 4.08 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 44 V 8.05 3.60 1.77 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 0.67 0.00 0.00 0.12 0.00 0.00 45 Y 7.50 5.03 0.00 3.21 3.25 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 46 E 7.32 4.46 0.00 2.21 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 2.37 2.28 0.00 47 G 9.12 4.05 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 0.00 0.00 0.00 48 G 7.83 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 0.00 0.00 0.00 49 V 7.97 4.56 1.77 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 0.48 0.00 0.00 0.84 0.00 0.00 50 F 9.21 4.63 0.00 3.01 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 51 F 8.93 5.62 0.00 2.99 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 52 L 8.87 5.13 0.00 1.45 1.32 0.30 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.91 5.21 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.64 4.89 1.82 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 1.03 0.60 -0.03 0.00 0.00 55 T 8.46 4.96 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 1.24 0.00 0.00 56 F 8.90 4.55 0.00 2.73 2.61 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 57 S 8.64 4.43 0.00 3.89 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 58 P 0.00 4.51 0.00 2.10 2.03 0.00 3.74 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 1.99 1.96 0.00 59 D 8.82 4.92 0.00 2.78 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 60 Y 8.02 4.38 0.00 3.23 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 61 P 0.00 3.53 0.00 1.71 1.28 0.00 2.67 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.44 0.00 62 F 7.80 4.79 0.00 3.24 3.21 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 63 K 7.66 4.63 0.00 1.72 1.60 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.49 7.81 64 P 0.00 2.97 0.00 1.70 1.44 0.00 3.57 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 65 P 0.00 4.05 0.00 1.41 0.92 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 66 K 8.52 4.16 0.00 1.71 1.57 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.30 7.81 67 V 8.22 4.87 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 0.79 0.00 0.00 0.71 0.00 0.00 68 T 8.70 4.99 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 1.20 0.00 0.00 69 F 9.18 4.31 0.00 3.06 3.32 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 70 R 9.18 4.15 0.00 1.98 2.10 0.00 3.45 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 71 T 8.07 4.31 4.62 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 1.30 0.00 0.00 72 R 8.70 4.09 0.00 1.49 1.44 0.00 3.30 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.78 0.00 73 I 8.23 4.97 1.88 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.97 0.36 0.00 0.00 74 Y 8.77 4.16 0.00 2.41 2.80 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 75 H 7.65 4.52 0.00 2.93 2.76 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.42 4.02 0.00 3.13 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 77 N 8.24 4.75 0.00 2.80 2.95 0.00 0.00 6.91 7.29 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 78 I 7.46 4.81 1.45 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.17 0.49 0.00 0.00 79 N 8.46 4.82 0.00 2.94 2.94 0.00 0.00 6.30 7.57 0.00 0.00 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 S 8.53 4.28 0.00 4.04 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 81 Q 8.48 4.32 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.32 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 82 G 8.42 4.34 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 0.00 83 V 7.80 3.95 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 0.98 0.00 0.00 0.93 0.00 0.00 84 I 8.15 4.71 1.90 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.91 0.00 0.00 85 C 8.98 4.39 0.00 2.92 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 86 L 8.12 4.64 0.00 1.75 1.46 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.37 4.48 0.00 2.93 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 88 I 7.75 3.91 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.73 0.94 0.00 0.00 89 L 7.86 4.51 0.00 1.81 1.71 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.76 4.57 0.00 1.88 1.57 0.00 1.31 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.39 7.81 91 D 9.54 4.56 0.00 2.72 2.80 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 92 N 8.03 4.79 0.00 2.74 2.83 0.00 0.00 6.95 7.95 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 93 W 7.67 4.50 0.00 3.64 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 94 S 6.57 4.38 0.00 3.79 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 95 P 0.00 4.20 0.00 2.04 2.03 0.00 3.67 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 2.03 2.22 0.00 96 A 7.47 3.92 1.16 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 97 L 6.81 4.21 0.00 0.41 1.35 0.64 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.86 5.22 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 1.24 0.00 0.00 99 I 9.47 3.83 1.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.46 1.03 0.00 0.00 100 S 8.24 4.21 0.00 3.98 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 0.00 101 K 8.09 4.05 0.00 2.02 1.88 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 102 V 8.01 3.67 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 1.03 0.00 0.00 1.27 0.00 0.00 103 L 8.23 4.04 0.00 1.79 1.75 1.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.39 3.96 0.00 1.89 1.83 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.23 4.13 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.01 3.79 2.04 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 1.58 0.63 1.03 0.00 0.00 107 C 8.27 4.06 0.00 3.16 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 0.00 108 S 8.39 4.16 0.00 4.04 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 0.00 109 L 7.67 4.27 0.00 1.80 1.86 0.97 0.75 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 0.00 110 L 7.73 4.16 0.00 1.82 1.68 0.66 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.55 4.45 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 1.26 0.00 0.00 112 D 8.70 4.62 0.00 2.60 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 8.31 4.35 0.00 2.90 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.26 4.82 0.00 2.65 2.73 0.00 0.00 7.18 8.68 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 0.00 115 P 0.00 4.18 0.00 2.22 2.13 0.00 3.71 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 116 A 7.85 4.21 1.30 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 0.00 0.00 0.00 117 D 7.76 4.81 0.00 2.57 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 0.00 118 P 0.00 4.62 0.00 2.16 2.07 0.00 3.78 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 1.92 1.98 0.00 119 L 8.27 4.19 0.00 1.55 1.78 0.90 0.89 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 0.00 120 V 8.03 4.18 1.92 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 0.83 0.00 0.00 0.88 0.00 0.00 121 G 8.45 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.07 4.13 0.00 4.07 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 0.00 123 I 7.61 3.69 1.69 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.28 0.46 0.00 0.00 124 A 7.76 3.94 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 0.00 125 T 8.15 3.83 4.40 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 1.22 0.00 0.00 126 Q 8.22 3.98 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 127 Y 8.05 3.92 0.00 2.83 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 0.00 128 M 7.78 4.10 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.97 0.00 129 T 7.87 4.27 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 1.23 0.00 0.00 130 N 8.17 4.91 0.00 2.67 2.68 0.00 0.00 6.81 7.64 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 0.00 131 R 7.95 3.74 0.00 1.67 1.77 0.00 2.93 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 132 A 7.95 3.94 1.30 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 0.00 0.00 0.00 133 E 8.16 3.81 0.00 2.03 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 2.30 2.33 0.00 134 H 8.12 4.91 0.00 3.41 3.56 0.00 5.68 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 0.00 135 D 8.45 4.33 0.00 2.92 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.91 3.81 0.00 2.01 1.99 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 137 M 7.98 3.75 0.00 0.59 1.64 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 138 A 7.87 3.97 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.94 4.00 0.00 2.06 1.98 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 140 Q 8.18 3.97 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 141 W 8.75 3.88 0.00 3.53 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 0.00 142 T 8.31 4.15 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 143 K 7.87 4.01 0.00 1.74 1.95 0.00 1.52 0.00 0.00 1.47 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.30 7.81 144 R 7.91 3.83 0.00 1.65 0.96 0.00 2.21 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.31 0.00 145 Y 7.95 5.00 0.00 3.18 2.86 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 0.00 146 A 8.22 4.49 0.75 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 0.00 0.00 147 T 7.66 4.13 4.44 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 1.19 0.00 0.00