NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1909 8.1727 120.1313 56.8175 34.8149 174.2517 2 V 4.4932 8.0610 121.9778 60.7904 32.1400 174.5940 3 F 4.3705 9.9508 128.7324 57.4266 40.2875 174.9003 4 E 4.2835 8.9089 120.3490 55.6650 30.9712 177.0536 5 R 3.3145 8.9630 121.7504 60.6329 29.9716 179.6046 6 C 4.3490 8.0068 115.3107 59.6013 39.9853 175.7054 7 E 3.8993 8.0931 120.8346 59.1634 29.3093 178.4642 8 L 3.4893 7.9980 120.1210 57.8367 42.0121 178.6149 9 A 3.9377 7.8399 120.7004 55.4232 18.3040 179.8833 10 R 3.8617 8.1012 116.4276 59.5109 30.1649 179.5020 11 T 3.8201 7.8341 115.5517 66.6747 68.5426 176.7085 12 L 3.8566 8.1528 121.2744 57.4758 41.5418 179.4142 13 K 3.8517 8.1863 119.7066 59.6993 31.9401 178.8533 14 R 3.9033 7.7529 117.3860 58.9974 30.0320 177.4873 15 L 4.3311 7.4957 116.1666 54.1725 41.8191 176.8884 16 G 3.8429 7.9404 107.0785 46.9797 0.0000 174.8930 17 M 3.9534 7.7625 120.0136 55.8404 32.4363 175.7968 18 D 4.3895 7.9397 118.2494 56.1828 40.9618 175.7617 19 G 3.9635 9.5211 116.2200 45.2294 0.0000 171.3235 20 Y 4.1199 8.2231 122.0051 58.7313 39.0492 176.3457 21 R 3.6225 8.8582 127.0230 57.3191 27.8181 177.0610 22 G 3.7976 8.0795 102.2725 45.8627 0.0000 173.8005 23 I 4.1579 7.5581 121.7008 58.8231 38.2761 175.9210 24 S 4.7590 8.3272 120.2677 57.7035 63.9879 174.8831 25 L 4.1891 9.2187 123.4229 58.6826 41.7356 179.3777 26 A 4.1554 8.1736 119.9454 55.1878 18.2175 179.2823 27 N 4.4504 8.1810 115.2976 56.3508 38.5715 177.6496 28 W 4.2277 8.0142 119.8839 59.9122 29.0829 178.3219 29 M 4.1465 8.4612 118.7901 58.6053 31.4878 177.8908 30 C 3.1733 8.0653 118.5364 59.1644 44.8420 175.2989 31 L 3.9495 8.2227 121.7308 58.2502 41.6488 178.7724 32 A 4.1371 8.3710 120.8340 54.9610 18.3331 179.3559 33 K 2.8312 8.1788 118.1998 59.3984 32.0213 179.0410 34 W 4.3325 7.6514 117.0259 59.0235 29.0851 178.3248 35 E 4.3538 8.2530 118.6466 58.4815 29.0180 177.5917 36 S 4.5266 8.0407 109.6026 56.5878 64.5933 174.2540 37 G 3.1674 8.0439 108.8266 47.1138 0.0000 173.3860 38 Y 3.6724 7.6161 113.0353 58.5960 35.5192 168.9279 39 N 5.2301 7.6725 118.8819 52.0715 39.5881 175.6664 40 T 4.1111 8.9991 117.7065 63.6877 69.2159 175.9734 41 R 4.4451 8.1098 117.0469 55.8111 30.3168 176.4106 42 A 4.3466 7.6300 122.6520 52.8690 19.4150 176.8434 43 T 5.0392 8.2575 110.0440 60.2267 72.4607 172.9985 44 N 4.8649 8.7563 121.7994 52.3490 41.9464 172.4151 45 Y 4.5980 8.7256 128.0015 57.2224 40.8627 174.0119 46 N 4.6292 8.5591 124.7872 51.3273 38.3464 175.4558 47 A 3.6459 8.2690 127.4797 54.6911 18.9272 179.2482 48 G 3.7529 8.0263 104.1950 48.0382 0.0000 173.6744 49 D 4.6775 7.3908 114.7318 51.9952 40.4667 175.8881 50 R 3.9199 8.1541 116.7217 56.9991 28.2268 175.9497 51 S 4.8649 7.9147 113.5586 57.4657 66.0092 172.8835 52 T 5.0978 8.5370 115.3489 61.9612 72.7693 172.8707 53 D 5.4282 8.7806 125.2473 53.2600 43.0628 175.0647 54 Y 4.9635 9.2345 121.3521 57.4659 41.5438 177.3556 55 G 4.4107 9.2001 111.7726 46.2404 0.0000 173.4960 56 I 3.9320 8.1931 116.7906 63.0217 37.9451 177.3773 57 F 4.7134 7.9853 115.7674 56.3742 39.6697 175.4576 58 Q 3.4963 7.8637 119.1561 57.0784 26.6105 174.1942 59 I 4.4074 8.0993 118.8471 61.0583 39.2771 176.9490 60 N 5.4267 9.2148 125.9865 53.4253 39.8552 175.7191 61 S 4.5683 9.1494 120.1979 60.7182 63.5036 175.4029 62 R 3.7138 9.0929 122.5671 58.7710 30.2595 177.7893 63 Y 4.3106 7.5394 114.5536 57.8299 40.5574 177.2266 64 W 4.7101 8.1184 118.9367 57.5297 30.2708 173.5694 65 C 5.6003 7.9881 110.0849 53.4517 45.8180 172.2163 66 N 4.9273 8.9955 119.6390 52.0906 39.8192 174.8176 67 D 4.8096 8.4947 122.7563 52.1278 40.7023 178.0973 68 G 4.0700 8.2803 108.3538 46.0146 0.0000 174.7135 69 K 4.4976 7.9177 116.6123 56.9476 33.0542 177.4997 70 T 3.8735 7.9959 117.6336 65.7298 68.6427 175.0702 71 G 3.7323 8.1233 110.2431 46.7151 0.0000 172.7831 72 G 3.8578 8.3243 115.1993 45.9198 0.0000 172.2332 73 A 4.5160 7.8301 120.2957 50.6459 20.3785 177.5344 74 V 4.4195 8.1773 113.2237 59.6785 35.1907 176.0702 75 N 4.9552 8.0407 116.2070 51.7839 38.5075 174.2965 76 A 3.9337 8.6998 124.3670 55.3193 19.0779 178.5010 77 C 4.4487 8.5790 110.8089 57.3473 41.0466 173.0344 78 H 4.0872 8.1374 116.7532 56.3873 26.2555 173.9153 79 L 4.7532 8.6639 118.2559 53.0784 46.6159 176.4128 80 S 4.6810 8.3710 115.0972 58.0301 63.3217 176.0468 81 C 4.0637 8.6674 123.9734 59.7141 39.2737 176.3629 82 S 3.9136 7.9000 114.8960 61.3031 61.6342 175.9957 83 A 4.1242 7.8423 122.4968 54.4390 18.0895 177.9365 84 L 4.4539 7.7853 116.3517 55.0970 41.7642 177.6299 85 L 5.0374 7.8352 117.1535 54.4957 42.4657 176.7664 86 Q 4.3477 7.8615 117.7003 55.4803 29.4887 176.0124 87 D 4.4173 8.5256 120.0183 57.0522 41.1863 176.8136 88 N 4.5748 8.0418 118.2149 53.2308 39.3955 174.6797 89 I 4.2708 8.4395 118.6033 61.0045 38.0811 177.0039 90 A 3.9561 8.6431 125.3584 56.0435 18.1455 180.1189 91 D 4.3165 8.0835 116.4552 57.2803 40.9001 178.6861 92 A 4.0860 7.9675 120.9739 55.0678 18.3866 179.6806 93 V 3.3719 8.2806 116.9697 66.1159 31.6939 178.0344 94 A 3.8135 7.9565 120.4677 55.2735 18.0586 178.8768 95 C 4.1915 8.2310 116.7149 59.6998 39.6568 175.5768 96 A 3.9128 8.1931 122.7580 55.0725 17.6034 179.7259 97 K 3.6959 7.7273 116.3764 59.4125 32.4279 179.1709 98 R 4.0670 7.6470 118.4600 59.3618 29.9140 178.5540 99 V 2.4802 7.6547 118.3099 65.8434 31.2777 178.0692 100 V 3.8677 7.7460 110.2017 62.8921 31.3088 177.9688 101 R 4.1953 7.6756 117.0165 56.9873 30.4750 176.3617 102 D 4.7636 7.3434 119.3019 52.5890 42.0753 175.4276 103 P 4.2446 0.0000 0.0000 66.1364 31.5043 178.3837 104 Q 4.0081 8.1877 116.2095 56.7085 29.9810 177.6346 105 G 3.7781 8.0390 107.3806 46.8395 0.0000 175.6024 106 I 3.6143 7.7639 119.5160 63.3303 37.9776 177.9971 107 R 4.2470 7.5044 117.7307 57.8666 29.9940 177.4380 108 A 3.8897 7.5850 120.8002 54.0295 18.6213 177.5438 109 W 4.8309 8.0007 117.2292 55.1885 30.0885 177.7691 110 V 3.8095 8.6673 124.5494 64.7129 30.7388 178.1221 111 A 4.0308 8.2824 121.1879 54.5777 18.1186 179.2460 112 W 3.9555 8.3652 127.0225 60.7321 30.6477 178.3159 113 R 3.7067 8.2760 116.0344 59.5292 29.6508 178.3840 114 N 4.3663 8.0395 114.7381 55.3754 38.7019 176.8483 115 R 4.0541 7.7423 116.8181 56.0919 31.1388 176.2849 116 C 4.5702 7.7055 114.7576 57.5687 42.9516 174.4418 117 Q 3.2114 6.6779 119.4967 57.1517 28.6919 175.3697 118 N 4.2088 8.6773 121.1126 54.4823 36.1366 173.8791 119 R 4.5607 7.2528 114.7240 53.9851 33.4447 175.8795 120 D 4.5312 8.4583 119.0493 54.3288 40.2021 175.7661 121 V 4.5363 8.1717 118.4300 61.1537 32.3140 178.5784 122 R 4.0704 8.1391 122.3266 59.1385 30.2655 178.8365 123 Q 4.1039 8.2433 115.7805 59.4506 28.3921 178.5873 124 Y 4.1481 7.6262 114.8636 60.0879 38.2771 177.2394 125 V 4.3220 7.8419 111.1072 60.5670 32.7558 175.5780 126 Q 4.1581 7.5792 119.8758 57.5415 28.5135 176.8940 127 G 3.9020 8.8648 109.5386 46.3727 0.0000 174.5964 128 C 4.4161 8.1208 115.6307 56.6648 40.5379 174.3133 129 G 3.8639 8.1056 107.2600 46.5066 0.0000 174.1548 130 V 3.9742 7.8305 118.0943 61.0783 31.8647 175.9485 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 1 K 8.17 4.19 0.00 1.68 2.25 0.00 1.09 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.93 7.81 2 V 8.06 4.49 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 0.86 0.00 0.00 0.94 0.00 0.00 3 F 9.95 4.37 0.00 2.90 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 4 E 8.91 4.28 0.00 1.94 1.86 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 2.42 2.39 0.00 5 R 8.96 3.31 0.00 1.92 1.91 0.00 3.42 0.00 0.00 3.46 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 6 C 8.01 4.35 0.00 3.00 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 7 E 8.09 3.90 0.00 2.07 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 2.62 2.43 0.00 8 L 8.00 3.49 0.00 1.33 1.37 -0.16 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.94 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 10 R 8.10 3.86 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 7.83 3.82 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 1.19 0.00 0.00 12 L 8.15 3.86 0.00 1.70 1.59 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.19 3.85 0.00 1.81 1.92 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 R 7.75 3.90 0.00 2.04 2.01 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.50 4.33 0.00 1.69 1.56 0.85 0.82 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 16 G 7.94 3.84 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 0.00 0.00 0.00 17 M 7.76 3.95 0.00 1.25 1.94 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 18 D 7.94 4.39 0.00 2.68 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 19 G 9.52 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.22 4.12 0.00 3.37 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 21 R 8.86 3.62 0.00 1.90 1.84 0.00 3.28 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.43 0.00 22 G 8.08 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 0.00 0.00 0.00 23 I 7.56 4.16 1.75 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.75 -0.27 0.00 0.00 24 S 8.33 4.76 0.00 4.07 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 25 L 9.22 4.19 0.00 2.03 1.82 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.16 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 0.00 0.00 0.00 0.00 0.00 27 N 8.18 4.45 0.00 2.80 2.76 0.00 0.00 6.91 7.74 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 28 W 8.01 4.23 0.00 3.58 3.14 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 29 M 8.46 4.15 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.96 0.00 30 C 8.07 3.17 0.00 2.51 3.14 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 31 L 8.22 3.95 0.00 1.79 1.83 0.51 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.37 4.14 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 33 K 8.18 2.83 0.00 1.70 1.37 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.54 1.41 7.81 34 W 7.65 4.33 0.00 3.33 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 35 E 8.25 4.35 0.00 2.03 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 0.00 2.52 2.39 0.00 36 S 8.04 4.53 0.00 4.03 4.13 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 37 G 8.04 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 0.00 0.00 0.00 38 Y 7.62 3.67 0.00 3.34 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 39 N 7.67 5.23 0.00 2.83 2.80 0.00 0.00 7.01 7.10 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 40 T 9.00 4.11 4.42 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 1.45 0.00 0.00 41 R 8.11 4.45 0.00 1.99 2.10 0.00 3.08 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 42 A 7.63 4.35 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 43 T 8.26 5.04 4.02 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 1.29 0.00 0.00 44 N 8.76 4.86 0.00 2.88 2.75 0.00 0.00 6.88 7.70 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 45 Y 8.73 4.60 0.00 3.00 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 46 N 8.56 4.63 0.00 2.65 2.63 0.00 0.00 6.63 7.52 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 47 A 8.27 3.65 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 48 G 8.03 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 49 D 7.39 4.68 0.00 2.70 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 50 R 8.15 3.92 0.00 2.04 2.20 0.00 3.14 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 51 S 7.91 4.86 0.00 4.00 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 52 T 8.54 5.10 4.13 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 0.59 0.00 0.00 53 D 8.78 5.43 0.00 2.70 2.70 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 54 Y 9.23 4.96 0.00 2.98 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 55 G 9.20 4.41 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 0.00 56 I 8.19 3.93 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.86 0.04 0.00 0.00 57 F 7.99 4.71 0.00 3.22 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 58 Q 7.86 3.50 0.00 2.50 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.83 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 59 I 8.10 4.41 2.14 0.00 0.00 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 1.41 1.14 1.11 0.00 0.00 60 N 9.21 5.43 0.00 3.05 3.11 0.00 0.00 6.98 7.31 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 61 S 9.15 4.57 0.00 4.06 4.38 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 62 R 9.09 3.71 0.00 1.54 1.10 0.00 2.76 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 63 Y 7.54 4.31 0.00 1.43 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 0.00 0.00 0.00 64 W 8.12 4.71 0.00 3.69 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.99 5.60 0.00 3.11 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 66 N 9.00 4.93 0.00 2.78 2.70 0.00 0.00 7.09 8.03 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 67 D 8.49 4.81 0.00 2.89 2.76 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 0.00 0.00 0.00 68 G 8.28 4.07 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 0.00 0.00 0.00 69 K 7.92 4.50 0.00 1.93 1.93 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.47 7.81 70 T 8.00 3.87 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 1.16 0.00 0.00 71 G 8.12 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.32 3.86 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 0.00 0.00 0.00 73 A 7.83 4.52 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 74 V 8.18 4.42 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 0.65 0.00 0.00 0.83 0.00 0.00 75 N 8.04 4.96 0.00 2.73 2.65 0.00 0.00 6.75 8.35 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 76 A 8.70 3.93 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 77 C 8.58 4.45 0.00 3.20 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 78 H 8.14 4.09 0.00 3.30 3.35 0.00 5.65 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 79 L 8.66 4.75 0.00 1.63 1.50 0.96 0.76 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 80 S 8.37 4.68 0.00 3.83 3.69 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 81 C 8.67 4.06 0.00 2.20 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 82 S 7.90 3.91 0.00 3.88 3.84 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 83 A 7.84 4.12 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 84 L 7.79 4.45 0.00 1.95 1.83 1.05 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.84 5.04 0.00 1.76 1.71 1.12 1.01 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 86 Q 7.86 4.35 0.00 2.22 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 87 D 8.53 4.42 0.00 2.62 2.66 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 88 N 8.04 4.57 0.00 2.70 2.74 0.00 0.00 6.94 7.94 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 89 I 8.44 4.27 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.02 0.96 0.00 0.00 90 A 8.64 3.96 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 91 D 8.08 4.32 0.00 2.75 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 92 A 7.97 4.09 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 93 V 8.28 3.37 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 94 A 7.96 3.81 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 95 C 8.23 4.19 0.00 3.14 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.19 3.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.73 3.70 0.00 1.55 1.28 0.00 1.30 0.00 0.00 0.86 0.00 0.00 2.37 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.30 0.94 7.81 98 R 7.65 4.07 0.00 1.97 2.12 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 99 V 7.65 2.48 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 -0.28 0.00 0.00 -0.65 0.00 0.00 100 V 7.75 3.87 2.36 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 1.00 0.00 0.00 1.40 0.00 0.00 101 R 7.68 4.20 0.00 2.07 2.05 0.00 3.23 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 102 D 7.34 4.76 0.00 2.99 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 0.00 103 P 0.00 4.24 0.00 2.01 2.12 0.00 3.68 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 2.02 2.12 0.00 104 Q 8.19 4.01 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 8.04 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 0.00 106 I 7.76 3.61 1.04 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.43 0.00 0.00 107 R 7.50 4.25 0.00 1.99 2.05 0.00 3.24 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.50 0.00 108 A 7.58 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.00 4.83 0.00 3.50 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 0.00 110 V 8.67 3.81 2.16 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 0.95 0.00 0.00 0.97 0.00 0.00 111 A 8.28 4.03 1.51 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 0.00 0.00 112 W 8.37 3.96 0.00 3.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.71 0.00 2.07 2.00 0.00 3.33 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 114 N 8.04 4.37 0.00 2.57 2.71 0.00 0.00 6.99 7.04 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 0.00 115 R 7.74 4.05 0.00 1.26 0.66 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.38 0.00 116 C 7.71 4.57 0.00 1.71 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 0.00 117 Q 6.68 3.21 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.92 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 118 N 8.68 4.21 0.00 2.81 2.83 0.00 0.00 6.86 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 0.00 119 R 7.25 4.56 0.00 1.82 1.80 0.00 3.22 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 120 D 8.46 4.53 0.00 2.63 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 0.00 121 V 8.17 4.54 2.36 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 1.00 0.00 0.00 1.05 0.00 0.00 122 R 8.14 4.07 0.00 1.84 2.01 0.00 3.16 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 1.69 1.72 0.00 123 Q 8.24 4.10 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.89 0.00 0.00 0.00 0.00 0.00 2.06 1.38 0.00 124 Y 7.63 4.15 0.00 3.16 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 0.00 125 V 7.84 4.32 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 1.03 0.00 0.00 1.04 0.00 0.00 126 Q 7.58 4.16 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.21 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 127 G 8.86 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 0.00 128 C 8.12 4.42 0.00 3.02 3.14 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 0.00 129 G 8.11 3.86 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 0.00 0.00 0.00 130 V 7.83 3.97 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 0.74 0.00 0.00 0.96 0.00 0.00