NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9324 8.3549 108.0208 46.5011 0.0000 172.8326 4 M 4.6149 8.7556 126.2829 52.2754 34.9421 173.7865 5 R 4.5208 8.5425 123.1491 56.0172 32.4033 174.8691 6 V 4.7627 8.4030 125.4677 61.3186 34.7394 173.7501 7 Y 4.8696 9.0767 127.2334 57.6776 39.2569 174.6108 8 L 5.2690 9.5162 124.7697 52.9022 44.8418 175.7968 9 G 4.6512 9.1330 109.6390 44.5874 0.0000 171.3454 10 A 5.8748 9.1028 124.5209 50.7016 23.6138 176.1951 11 D 4.6644 8.5289 120.0197 52.0902 41.9651 176.3919 12 H 4.0698 9.1508 114.4568 59.4361 27.6723 177.1985 13 A 4.2309 7.7804 122.0892 53.8800 18.4923 178.7414 14 G 3.9447 8.0082 101.9321 44.8120 0.0000 174.9907 15 Y 3.9956 7.6264 122.7851 60.8900 38.9321 177.9326 16 E 3.8369 8.2888 119.0000 59.1542 29.5638 178.8885 17 L 3.9005 7.8399 120.0102 57.8646 42.1134 178.6280 18 K 3.7997 8.3068 120.0097 59.6390 32.2112 178.6339 19 Q 3.8231 7.6804 118.0760 59.1367 28.5683 179.2223 20 R 3.9386 7.8386 118.8962 59.2992 29.9885 179.2664 21 I 3.7580 8.1153 120.0495 64.1048 36.9709 178.4193 22 I 3.6572 7.9388 121.0061 64.3763 36.9260 177.8990 23 E 3.8826 7.9602 119.5157 59.5806 29.5304 178.2496 24 H 4.0971 8.3708 118.1789 59.3680 29.8692 177.1582 25 L 4.0914 8.2028 122.3890 57.0860 41.4912 179.5292 26 K 3.8911 8.2223 118.5384 59.8195 31.9018 179.3940 27 Q 4.1826 8.1951 116.2839 57.7879 28.8646 177.6870 28 T 4.4792 7.6630 109.7628 61.1678 68.8985 175.6486 29 G 3.8709 7.9574 108.4304 45.7986 0.0000 173.0784 30 H 4.7229 7.8839 116.7756 54.2254 31.6388 174.8489 31 E 4.6299 9.0670 120.6588 53.5623 30.0502 172.1448 32 P 4.9093 0.0000 0.0000 62.2225 32.9503 175.9673 33 I 4.4481 8.7016 123.7897 59.4999 40.1929 174.0192 34 D 4.9252 8.8425 127.8409 53.9497 41.4301 175.6060 35 C 4.5169 9.4218 123.8202 59.5953 29.0524 174.3058 36 G 3.9515 8.8197 105.9572 44.2345 0.0000 173.0247 37 A 3.9350 7.3473 122.4793 52.0887 18.5357 178.1333 38 L 4.4725 8.4610 121.0361 55.5829 42.3285 176.4713 39 R 4.4241 7.2601 113.6119 54.2544 32.4930 173.6491 40 Y 3.5326 7.6180 119.5930 56.8812 38.9988 174.1674 41 D 4.3614 7.7387 126.0903 51.8411 42.7018 175.4695 42 A 3.3949 8.2117 130.5172 54.5185 18.4175 177.5614 43 D 4.6749 7.7695 113.3582 53.9173 41.3021 176.4091 44 D 4.6148 7.8670 119.5832 53.1557 38.8044 175.3301 45 D 4.9422 8.4297 119.6331 52.3356 42.9207 176.8939 46 Y 4.7325 8.7508 123.8805 59.8395 37.6986 176.5520 47 P 4.1849 0.0000 0.0000 65.4461 31.3686 178.0797 48 A 3.7900 7.1030 118.5471 55.3322 18.2224 179.7926 49 F 4.3392 7.5513 115.5796 60.6819 39.0033 177.7694 50 C 4.2791 8.2675 116.4263 62.9664 27.9205 176.1949 51 I 3.6977 8.1477 121.5087 64.0456 36.5517 178.2483 52 A 3.9301 8.1793 121.4742 55.1978 18.3045 179.5021 53 A 3.9167 8.1553 118.7834 55.3095 18.4222 179.7390 54 A 3.9594 8.2640 119.4590 55.5144 18.4648 179.9848 55 T 3.7425 8.1760 114.5702 66.9060 68.3422 177.0305 56 R 3.6185 7.6724 118.5672 59.3596 30.2097 179.0683 57 T 4.2353 7.6134 116.6386 66.2618 68.3160 177.0222 58 V 3.6133 7.8196 118.7287 65.7922 31.6080 177.3952 59 A 4.2513 7.9410 118.8052 52.9060 19.8278 176.9825 60 D 4.8582 7.5904 116.6731 50.9865 41.0565 172.3646 61 P 4.4207 0.0000 0.0000 63.9433 32.0615 177.5193 62 G 3.9997 9.0935 110.7499 45.0316 0.0000 173.4744 63 S 4.7531 8.1815 114.9331 57.6291 65.5056 172.7626 64 L 5.1759 8.9340 119.2944 53.1364 46.0959 175.9343 65 G 4.7187 9.5177 106.1847 45.0685 0.0000 171.8225 66 I 5.1185 9.0214 121.6849 59.3195 41.4589 174.7755 67 V 4.9847 8.8617 120.0033 59.5303 34.8424 174.7034 68 L 5.1425 8.4995 124.3443 51.9599 45.2759 175.3542 69 G 4.3599 7.6992 111.0139 46.2516 0.0000 173.8164 70 G 3.7510 9.1015 107.2160 49.0851 0.0000 175.9666 71 S 4.5068 8.2111 113.7444 57.0484 64.5728 174.7976 72 G 4.0835 8.0170 109.4890 46.1672 0.0000 175.6600 73 N 4.3793 7.9108 117.5366 56.1594 38.5618 177.5721 74 G 3.4320 7.7940 106.5824 47.8088 0.0000 175.3038 75 E 4.0310 7.6964 120.7061 59.1794 29.4964 179.3472 76 Q 4.0475 8.0997 117.7258 59.1084 28.5344 178.3975 77 I 3.6745 7.7194 120.7669 64.0889 37.5933 177.8540 78 A 4.1838 8.3109 121.2632 55.2683 18.3107 179.4114 79 A 3.9961 8.0739 119.2006 55.5515 18.2714 179.4530 80 N 4.4964 8.2406 113.1389 55.4903 38.6606 177.1229 81 K 4.2642 7.6995 118.8596 56.9834 32.5402 177.1897 82 V 3.7636 7.4152 121.0224 61.3701 31.8696 173.4692 83 P 4.9447 0.0000 0.0000 63.8336 31.4679 176.7003 84 G 3.9177 9.2222 111.6620 45.1459 0.0000 173.4485 85 A 4.2461 7.7409 122.6985 51.6478 19.3760 177.2304 86 R 4.6028 9.2172 120.5544 54.6953 33.3048 174.2974 87 C 5.1009 9.7073 125.8604 57.4100 33.0540 173.4448 88 A 4.3885 8.6587 128.8221 51.4136 20.0724 175.7502 89 L 4.8043 8.4450 121.8420 53.9509 43.0188 175.8269 90 A 4.5832 8.6731 130.0777 50.4632 19.3396 176.5837 91 W 4.7879 8.3161 118.6625 56.3715 29.2431 175.8760 92 S 4.4438 7.0492 113.1478 56.3472 66.1445 175.3290 93 V 3.4878 8.1143 121.5557 66.1938 31.0845 177.8028 94 Q 3.8586 7.7705 118.9206 59.4100 28.9756 178.2407 95 T 3.6779 7.6396 110.6019 64.3721 68.3792 176.5344 96 A 3.9518 7.8885 123.5226 54.8585 18.3539 179.4353 97 A 3.9763 8.0219 119.2058 55.4740 18.4699 179.8976 98 L 3.8138 8.1543 117.5005 57.6923 41.5185 179.5120 99 A 4.0456 8.1640 120.8551 55.2879 18.2433 180.0183 100 R 3.8843 7.8204 115.9692 59.5202 30.1526 178.9510 101 E 4.3204 8.6068 120.8393 58.6589 29.4238 177.8996 102 H 4.4556 8.6175 114.8115 56.6945 29.9884 175.5522 103 N 4.6466 8.0802 114.2823 52.4089 39.4936 173.9749 104 N 3.7460 7.8875 115.8208 53.9026 37.2168 174.1601 105 A 4.1829 7.9558 120.7939 52.4067 19.2295 178.5054 106 Q 4.3581 8.7226 121.8859 57.8070 30.2612 175.8093 107 L 6.2000 8.4117 118.3320 51.8021 46.4238 175.5717 108 I 4.8890 7.7738 113.5277 59.0870 41.3455 174.2043 109 G 4.9163 8.9434 110.9131 45.7339 0.0000 172.5900 110 I 4.8905 8.0000 121.8843 59.1332 41.5981 174.7964 111 G 3.9139 8.8975 114.5334 45.0343 0.0000 174.4267 112 G 3.8092 9.1280 117.9325 48.1051 0.0000 173.5856 113 R 4.2072 7.9973 116.6263 57.3703 30.3478 176.8576 114 M 4.3459 7.9265 116.8095 55.6309 32.8988 175.5872 115 H 5.1438 7.6622 114.4728 53.0001 33.1399 173.6210 116 T 4.1870 8.9951 113.1033 61.2804 70.6553 175.8638 117 V 3.5315 8.3226 120.5962 66.2516 31.5085 177.9425 118 A 3.9694 7.9447 119.8322 55.1388 18.2796 179.2570 119 E 3.8789 8.1416 116.5789 59.5667 29.5641 179.4272 120 A 3.9355 8.1136 120.7539 55.2495 18.3635 179.7432 121 L 3.8553 8.3581 117.6602 57.5930 41.6109 179.4760 122 A 3.9670 8.0664 120.8733 55.1312 18.2310 179.6482 123 I 3.5536 7.7864 118.2284 64.5158 37.2002 178.5631 124 V 3.6479 7.8378 118.9671 66.2886 31.1560 177.5888 125 D 4.3940 8.3311 118.2258 57.4408 40.8377 178.7330 126 A 3.9941 7.9696 121.0306 55.1548 18.1757 179.3901 127 F 4.2171 8.2153 117.9125 61.5725 39.6385 177.2435 128 V 3.6559 7.8735 109.2666 62.3364 31.6987 176.7198 129 T 4.3994 7.4173 107.2218 61.5532 70.1824 174.4746 130 T 4.2598 7.5384 120.1494 61.8319 69.2198 172.9637 131 P 4.4761 0.0000 0.0000 61.6961 32.3129 175.5264 132 W 5.0353 8.9403 130.2805 57.0998 31.1015 176.3552 133 S 3.9072 8.3304 121.0963 59.3734 62.6172 175.3528 134 K 2.6470 5.6600 116.3398 56.3226 29.4919 175.9306 135 A 3.9308 6.9216 121.6210 51.8363 19.8250 178.6821 136 Q 3.9296 8.7233 124.7429 59.5831 29.0510 179.6269 137 R 3.9239 7.8248 116.3315 59.5012 29.6083 178.4633 138 H 4.3946 8.0186 116.4914 58.7383 28.8099 177.3063 139 Q 4.2597 8.4530 121.4460 59.2435 28.9193 178.1758 140 R 3.9214 8.3458 119.9372 59.7178 30.1227 178.7506 141 R 3.9921 8.1389 117.7466 59.3294 29.9629 179.1335 142 I 3.7725 7.9864 119.6855 64.3935 36.9738 178.2436 143 D 4.3762 8.4757 120.0447 57.3243 40.6571 178.8821 144 I 3.7177 7.9353 120.3043 64.3150 37.0735 178.1903 145 L 4.0216 8.0151 120.9192 58.2031 42.0471 178.8282 146 A 3.9949 8.3464 120.9698 55.1141 18.2964 179.2456 147 E 3.8794 8.5106 118.0252 59.4913 29.7056 178.2945 148 Y 4.0863 8.1864 119.5753 60.9400 38.9679 177.9146 149 E 3.7333 8.5425 119.6141 59.4996 29.2871 179.4759 150 R 3.8705 7.6255 117.8145 58.5433 30.2440 177.6026 151 T 4.3708 7.3115 106.2352 60.3473 70.4454 173.6526 152 H 3.0841 7.8797 117.3556 56.1987 27.0370 174.2267 153 E 4.4171 7.8326 118.7104 54.4949 29.6402 176.4539 154 A 4.1481 8.7881 127.7897 51.6033 18.8728 175.3084 155 P 4.4477 0.0000 0.0000 61.5136 32.1117 174.7808 156 P 4.3804 0.0000 0.0000 62.9672 31.8443 175.9789 157 V 4.1786 8.0489 114.0191 59.2092 32.9846 174.4756 158 P 4.4117 0.0000 0.0000 63.2088 31.1471 175.9791 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 3 G 8.35 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 0.00 0.00 0.00 4 M 8.76 4.61 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 5 R 8.54 4.52 0.00 1.90 1.68 0.00 3.13 0.00 0.00 2.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.42 0.00 6 V 8.40 4.76 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 1.08 0.00 0.00 0.90 0.00 0.00 7 Y 9.08 4.87 0.00 3.08 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 8 L 9.52 5.27 0.00 1.59 1.56 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.13 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 10 A 9.10 5.87 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 11 D 8.53 4.66 0.00 3.15 3.11 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 12 H 9.15 4.07 0.00 2.77 3.41 0.00 5.26 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.78 4.23 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 14 G 8.01 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 15 Y 7.63 4.00 0.00 3.27 3.31 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 16 E 8.29 3.84 0.00 2.05 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 2.61 2.34 0.00 17 L 7.84 3.90 0.00 1.74 1.80 0.90 0.56 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 18 K 8.31 3.80 0.00 1.81 1.79 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.43 7.81 19 Q 7.68 3.82 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.70 2.12 0.00 20 R 7.84 3.94 0.00 1.98 1.95 0.00 3.10 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 21 I 8.12 3.76 1.97 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 1.50 0.86 0.92 0.00 0.00 22 I 7.94 3.66 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.73 0.89 0.00 0.00 23 E 7.96 3.88 0.00 2.06 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 2.46 2.32 0.00 24 H 8.37 4.10 0.00 3.37 3.46 0.00 5.84 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 25 L 8.20 4.09 0.00 1.90 1.72 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.22 3.89 0.00 1.96 1.85 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 27 Q 8.20 4.18 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 28 T 7.66 4.48 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 29 G 7.96 3.87 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 0.00 0.00 0.00 30 H 7.88 4.72 0.00 3.15 3.39 0.00 5.60 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 31 E 9.07 4.63 0.00 1.93 1.72 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 2.11 2.17 0.00 32 P 0.00 4.91 0.00 2.10 2.02 0.00 3.73 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 1.97 2.18 0.00 33 I 8.70 4.45 1.70 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.63 1.08 0.00 0.00 34 D 8.84 4.93 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 9.42 4.52 0.00 3.09 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 36 G 8.82 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 37 A 7.35 3.93 0.82 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 0.00 0.00 38 L 8.46 4.47 0.00 1.71 1.80 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.26 4.42 0.00 1.75 1.83 0.00 3.00 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 40 Y 7.62 3.53 0.00 2.39 2.68 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 0.00 0.00 0.00 0.00 41 D 7.74 4.36 0.00 2.53 2.50 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 42 A 8.21 3.39 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 43 D 7.77 4.67 0.00 2.63 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 44 D 7.87 4.61 0.00 2.95 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 45 D 8.43 4.94 0.00 2.59 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.75 4.73 0.00 3.35 3.54 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 47 P 0.00 4.18 0.00 1.95 2.00 0.00 3.15 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.37 0.00 48 A 7.10 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.55 4.34 0.00 3.27 3.26 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 50 C 8.27 4.28 0.00 3.28 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 51 I 8.15 3.70 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.77 0.88 0.00 0.00 52 A 8.18 3.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.16 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.26 3.96 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 55 T 8.18 3.74 4.36 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 1.16 0.00 0.00 56 R 7.67 3.62 0.00 1.13 0.66 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 57 T 7.61 4.24 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 1.29 0.00 0.00 58 V 7.82 3.61 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 0.85 0.00 0.00 1.01 0.00 0.00 59 A 7.94 4.25 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 60 D 7.59 4.86 0.00 2.86 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 61 P 0.00 4.42 0.00 2.23 2.06 0.00 3.81 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 2.01 1.98 0.00 62 G 9.09 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 63 S 8.18 4.75 0.00 4.13 4.18 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 64 L 8.93 5.18 0.00 1.60 1.75 0.36 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.52 4.72 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 66 I 9.02 5.12 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.78 0.88 0.00 0.00 67 V 8.86 4.98 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 0.88 0.00 0.00 0.98 0.00 0.00 68 L 8.50 5.14 0.00 1.49 1.50 0.94 0.86 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 69 G 7.70 4.36 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 0.00 70 G 9.10 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.21 4.51 0.00 3.92 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 72 G 8.02 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 73 N 7.91 4.38 0.00 2.64 2.82 0.00 0.00 6.72 7.43 0.00 0.00 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 G 7.79 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.70 4.03 0.00 2.14 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 2.24 2.17 0.00 76 Q 8.10 4.05 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.72 0.00 77 I 7.72 3.67 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.96 0.00 0.00 78 A 8.31 4.18 1.54 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 0.00 0.00 79 A 8.07 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.24 4.50 0.00 2.95 2.92 0.00 0.00 7.12 7.37 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 81 K 7.70 4.26 0.00 1.93 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.60 7.81 82 V 7.42 3.76 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 1.01 0.00 0.00 0.93 0.00 0.00 83 P 0.00 4.94 0.00 2.06 1.99 0.00 3.78 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 84 G 9.22 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 85 A 7.74 4.25 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 86 R 9.22 4.60 0.00 1.79 1.81 0.00 3.08 0.00 0.00 3.03 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.71 5.10 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.66 4.39 1.26 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 89 L 8.44 4.80 0.00 1.69 1.71 0.95 1.04 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 90 A 8.67 4.58 1.11 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 91 W 8.32 4.79 0.00 3.57 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 92 S 7.05 4.44 0.00 3.72 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.11 3.49 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 0.98 0.00 0.00 0.91 0.00 0.00 94 Q 7.77 3.86 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 95 T 7.64 3.68 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 0.63 0.00 0.00 96 A 7.89 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.02 3.98 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 98 L 8.15 3.81 0.00 1.61 1.62 0.84 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.16 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 0.00 100 R 7.82 3.88 0.00 2.03 2.10 0.00 3.39 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 101 E 8.61 4.32 0.00 2.19 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 2.40 2.25 0.00 102 H 8.62 4.46 0.00 3.27 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.08 4.65 0.00 2.87 2.82 0.00 0.00 7.08 8.00 0.00 0.00 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 N 7.89 3.75 0.00 1.44 1.80 0.00 0.00 7.03 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 0.00 105 A 7.96 4.18 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.72 4.36 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 107 L 8.41 6.20 0.00 1.55 1.49 0.96 0.84 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 0.00 108 I 7.77 4.89 1.53 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.70 0.47 0.00 0.00 109 G 8.94 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 0.00 110 I 8.00 4.89 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.91 0.00 0.00 111 G 8.90 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 0.00 112 G 9.13 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.00 4.21 0.00 1.94 1.98 0.00 3.15 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 114 M 7.93 4.35 0.00 1.79 1.95 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 2.50 2.58 0.00 115 H 7.66 5.14 0.00 3.09 3.23 0.00 5.70 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 0.00 116 T 9.00 4.19 4.25 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 1.22 0.00 0.00 117 V 8.32 3.53 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 1.08 0.00 0.00 0.92 0.00 0.00 118 A 7.94 3.97 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 0.00 119 E 8.14 3.88 0.00 2.27 2.03 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 2.35 2.35 0.00 120 A 8.11 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 0.00 121 L 8.36 3.86 0.00 1.56 1.43 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.07 3.97 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 0.00 123 I 7.79 3.55 1.97 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.82 0.00 0.00 124 V 7.84 3.65 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 1.10 0.00 0.00 0.95 0.00 0.00 125 D 8.33 4.39 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.97 3.99 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 0.00 127 F 8.22 4.22 0.00 2.98 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 V 7.87 3.66 1.83 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 0.85 0.00 0.00 0.90 0.00 0.00 129 T 7.42 4.40 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 1.29 0.00 0.00 130 T 7.54 4.26 4.25 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 1.28 0.00 0.00 131 P 0.00 4.48 0.00 2.23 2.18 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 132 W 8.94 5.04 0.00 3.28 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 0.00 133 S 8.33 3.91 0.00 3.80 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 0.00 134 K 5.66 2.65 0.00 1.57 1.67 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.72 1.09 7.81 135 A 6.92 3.93 1.13 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 0.00 0.00 136 Q 8.72 3.93 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.82 3.92 0.00 2.05 2.12 0.00 2.96 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 138 H 8.02 4.39 0.00 3.56 3.97 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.45 4.26 0.00 2.43 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 140 R 8.35 3.92 0.00 2.00 2.14 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 141 R 8.14 3.99 0.00 2.11 2.01 0.00 3.37 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 142 I 7.99 3.77 2.04 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.82 0.85 0.00 0.00 143 D 8.48 4.38 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.94 3.72 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.94 0.00 0.00 145 L 8.02 4.02 0.00 1.90 1.84 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.35 3.99 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 0.00 147 E 8.51 3.88 0.00 2.11 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 0.00 2.34 2.40 0.00 148 Y 8.19 4.09 0.00 3.08 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 0.00 149 E 8.54 3.73 0.00 2.22 1.94 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 2.39 2.42 0.00 150 R 7.63 3.87 0.00 1.92 2.05 0.00 3.18 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 151 T 7.31 4.37 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 1.25 0.00 0.00 152 H 7.88 3.08 0.00 3.08 3.18 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.83 4.42 0.00 2.03 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 2.30 2.38 0.00 154 A 8.79 4.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.45 0.00 2.05 2.02 0.00 3.59 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 2.00 2.13 0.00 156 P 0.00 4.38 0.00 2.18 2.07 0.00 3.77 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 2.00 2.00 0.00 157 V 8.05 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 0.73 0.00 0.00 0.93 0.00 0.00 158 P 0.00 4.41 0.00 2.03 2.01 0.00 3.71 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 2.04 2.12 0.00