NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2835 8.4449 121.4703 55.2695 31.6675 175.4422 4 K 4.4055 7.9211 117.4869 54.1680 33.8673 173.7074 5 T 4.6071 8.7815 117.5236 59.9778 71.3659 173.0317 6 C 4.8889 8.6201 118.4603 57.9221 39.6969 173.2204 7 D 5.1374 9.0984 123.3698 52.4824 43.0027 175.8977 8 L 4.8209 8.4857 122.9427 54.2078 42.7904 177.0108 9 V 3.4372 8.3651 122.6382 65.7302 32.1490 174.3614 10 G 4.0180 9.2825 117.2341 44.6154 0.0000 174.8097 *15 E 4.1192 8.8173 113.1239 55.5882 31.2927 176.4116 16 S 4.2759 8.4539 116.1113 58.4195 63.3796 174.0764 17 E 4.5569 8.7583 124.9058 56.3457 29.7855 177.3106 18 K 4.1828 7.8890 120.0160 59.4664 32.8644 177.4507 19 E 4.0219 8.1432 118.2284 59.9846 29.2906 179.0345 20 L 3.9704 7.6736 117.0567 58.0377 41.5677 179.3579 21 A 3.9762 7.8169 119.1403 55.3186 18.2344 179.4831 22 L 3.9211 8.8972 118.4998 58.0155 42.3660 178.6257 23 L 4.1938 8.1995 120.9155 57.7194 42.0843 178.6644 24 K 3.9710 8.2540 119.8013 59.4540 31.8406 178.8800 25 R 3.9734 7.6414 117.5813 58.5884 30.1859 177.8637 26 L 4.4584 7.7371 117.2537 54.7407 41.9336 178.1546 27 T 2.0000 7.5068 111.8977 64.0680 68.0869 173.8728 28 P 4.3303 0.0000 0.0000 63.6669 31.5647 177.0760 29 L 4.6266 8.1007 118.0985 54.8963 42.3411 178.1312 30 F 4.5663 7.9695 119.4651 60.0566 39.0841 176.7557 31 Q 4.1407 8.0461 113.6317 57.2143 28.9650 176.5159 32 K 4.0525 7.7475 118.1468 55.4717 33.0073 175.8885 33 S 4.4292 7.8387 116.1907 56.3797 64.6473 172.9410 34 F 4.9335 8.6274 125.5467 55.7891 41.6019 174.2215 35 E 5.8621 8.7167 121.7080 54.9319 32.8562 174.1051 36 S 4.9247 9.0726 118.6451 57.4406 66.2181 172.4123 37 T 5.1496 8.7982 123.0248 62.0727 70.7796 173.8492 38 V 4.5205 8.9524 118.1881 60.3678 36.4903 176.3515 39 G 4.4108 8.9754 112.2857 44.9450 0.0000 172.5154 40 Q 4.7162 7.9352 114.8362 53.4808 31.6216 174.8346 41 S 4.3193 8.6096 114.4317 59.1994 63.1974 172.8008 42 P 4.8096 0.0000 0.0000 62.8112 31.4576 175.5932 43 D 4.9848 7.7677 117.9312 54.5731 41.5197 176.2235 44 M 4.7611 7.7228 118.4776 55.4952 34.2331 174.4864 45 Y 5.1874 9.1438 121.3060 56.3595 43.0581 174.1057 46 S 5.1942 9.1376 115.7159 56.8664 66.3103 172.0828 47 Y 5.4090 9.4399 124.5335 56.3043 40.5850 174.6399 48 V 4.9539 8.9037 124.2287 61.0541 34.3206 173.9638 49 F 5.4892 9.4042 129.9248 56.5989 42.3688 173.8138 50 R 4.4240 8.5137 123.1236 54.3152 34.4540 175.4257 51 V 3.8904 7.9471 121.2636 62.2991 31.1276 176.4033 52 C 3.2819 9.0765 126.9708 57.1486 37.8628 173.7529 53 R 4.0364 6.6539 114.9228 54.0133 33.7905 175.1100 54 E 4.1954 8.5617 119.6809 57.2264 29.8189 176.9977 55 A 4.4164 8.7215 125.8970 52.5618 20.7491 177.0011 56 G 3.9843 7.7406 103.9657 44.7391 0.0000 173.2000 57 Q 4.3212 9.6512 118.0858 58.0336 29.0918 177.2976 58 H 5.0001 8.3359 111.5399 55.2814 29.5359 173.9611 59 S 4.5152 7.7808 116.3061 55.9761 62.4815 171.4084 60 S 4.2709 8.2319 121.1429 61.0220 62.7218 174.8611 61 G 3.6200 9.5815 115.4954 45.0788 0.0000 173.0484 62 A 4.2012 7.7733 123.9762 52.1489 19.1259 178.4149 63 G 3.5913 9.0326 110.3051 47.6870 0.0000 173.6302 64 L 5.4170 7.8373 122.1092 53.9492 45.7282 174.9451 65 V 4.9367 9.0950 119.0584 59.5939 35.9916 174.2649 66 Q 4.7581 9.2584 125.3342 54.6945 30.9343 174.2254 67 I 4.7204 9.0786 129.5307 59.5074 39.5051 174.9447 68 Q 3.6286 8.7023 130.0894 55.2901 29.0205 176.8064 69 K 4.2280 8.1779 127.3694 58.8952 31.9693 179.0718 70 S 4.2423 7.9713 114.3155 60.4503 63.2488 174.4734 71 N 4.7907 7.5465 113.4945 51.3845 38.7767 174.8904 72 G 3.8228 8.6960 107.3326 45.7366 0.0000 173.5724 73 K 4.0584 8.2817 122.4267 56.6009 33.0715 175.3705 74 E 5.1100 8.8516 127.1179 55.2494 31.3436 175.3588 75 T 4.6839 8.7821 121.3642 61.6363 71.6489 173.5445 76 V 4.0989 9.0386 127.5371 62.4687 31.9649 176.7083 77 V 3.5109 8.6712 129.4987 65.5420 32.7595 175.8130 78 G 4.3343 7.6427 104.0952 45.4805 0.0000 172.4228 79 R 5.1895 9.0768 120.7406 52.8982 32.7897 177.1347 80 F 3.9380 8.3828 116.8367 57.3319 38.0348 175.8523 81 N 4.6050 7.2274 117.8961 53.5009 38.4276 174.6445 82 E 4.7996 7.9454 118.0012 55.6467 29.2678 175.1694 83 T 5.2305 8.7012 118.2060 63.2447 71.2852 175.9929 84 Q 4.7605 8.9449 122.0193 54.5305 33.6706 173.9816 85 I 4.9291 7.9043 122.0740 59.7005 41.3182 173.9398 86 F 5.1312 9.4422 127.2214 55.7960 43.2628 173.6065 87 Q 4.4820 8.6044 119.9971 54.8949 32.4005 174.6185 88 G 2.7022 7.4142 111.1943 44.0114 0.0000 171.4518 89 S 4.1226 8.2443 115.0082 59.3206 61.6889 173.7338 90 N 4.4735 9.4216 124.9600 53.0923 36.5747 173.9538 91 W 5.8151 7.2785 113.7173 55.6589 32.2051 173.3455 92 I 5.0692 9.2235 121.5623 59.9821 41.0082 173.7973 93 M 5.1613 9.8022 127.3965 53.9520 34.3542 173.9541 94 L 4.9598 8.9402 129.1760 53.4400 44.6359 174.9660 95 I 5.0818 8.9450 126.8401 59.7065 40.9482 173.8785 96 Y 5.4035 9.0118 124.2039 56.5410 40.7991 175.5024 97 K 4.5166 8.8752 124.4257 54.8703 35.8868 177.0336 98 G 3.9148 8.8423 107.9635 46.9223 0.0000 174.1628 99 G 3.8971 7.9878 107.9637 45.0916 0.0000 173.8349 100 D 4.6777 8.8304 119.6957 54.1259 41.8634 176.6635 101 E 4.4472 8.5638 120.8241 56.8539 29.9256 176.8732 102 Y 4.1103 8.5966 121.1616 60.4001 38.2069 176.9941 103 D 4.5720 8.1301 117.6728 54.5771 39.7843 171.3228 104 N 5.0379 7.3935 118.1208 52.3937 39.5429 175.5424 105 H 4.4395 8.9792 111.1767 58.9558 28.6773 177.3462 106 C 4.0790 8.7705 117.5521 57.8244 38.3787 173.1791 107 G 3.7516 8.4321 106.1539 43.9097 0.0000 174.5159 108 R 4.9331 8.5009 118.6448 55.0689 30.4548 176.2447 109 E 4.3678 8.4079 117.3493 56.9747 31.1476 175.9442 110 Q 4.4243 8.5514 119.8446 55.8449 29.7507 176.4324 111 R 4.1586 8.4836 121.3907 56.4557 31.4469 175.8808 112 R 5.2380 8.7885 118.2396 53.4520 34.6387 174.3295 113 A 4.8088 9.2855 124.0929 50.2468 21.7295 175.4281 114 V 4.5981 8.4453 123.1104 61.1185 34.0969 174.4526 115 V 4.7104 8.9525 128.3640 61.3905 34.1859 174.0405 116 M 4.6552 9.1011 128.9819 54.2608 33.4922 175.4189 117 I 4.6311 9.0212 126.8113 60.0989 38.8402 175.4854 118 S 5.2297 8.9251 124.2108 56.9438 65.1599 173.2634 119 C 4.8175 8.7284 123.4625 57.1877 40.3228 173.1690 120 N 4.6378 8.4455 123.1909 53.2877 40.2339 174.9834 121 R 4.0757 8.7330 126.2258 58.5365 30.4541 177.6839 122 H 4.5983 8.5659 114.5001 57.2417 29.3264 175.0534 123 T 4.6630 7.3011 112.9338 60.5220 70.2583 173.9071 124 L 3.9640 8.7946 128.6398 57.6035 42.5595 176.8710 125 A 5.2470 7.4219 115.9417 52.4799 22.7158 174.8993 126 D 4.5721 8.4218 119.3511 55.1202 44.3509 175.2475 127 N 4.5260 8.5432 114.8980 54.5135 35.6749 173.8751 128 F 5.4282 8.7608 120.1406 57.5949 40.4177 173.9679 129 N 4.5359 7.8582 120.8128 51.8845 40.0769 171.8935 130 P 4.2385 0.0000 0.0000 62.9659 31.8559 175.7055 131 V 4.1192 8.2810 120.7706 63.8000 33.9338 175.7037 132 S 4.7253 7.1759 112.9252 56.8196 66.2380 172.4445 133 E 4.1922 8.7479 123.0609 56.1607 34.8322 173.8479 134 E 4.6680 7.5233 121.2737 54.5669 31.1406 174.5047 135 R 4.1422 9.7910 126.8778 55.7610 33.7977 175.1792 136 G 3.7895 8.2026 116.5949 46.8449 0.0000 175.8300 137 K 3.9833 8.8229 124.2564 57.7765 32.8935 176.9016 138 V 3.9252 7.8830 121.1799 62.2094 30.7932 174.4197 139 Q 4.9208 8.1319 127.7313 54.3476 28.2407 175.3951 140 D 4.4612 8.8459 118.9682 54.1359 41.8846 176.2437 141 C 3.8761 8.0233 115.5943 57.0050 36.8284 172.7098 142 F 4.9735 7.2907 116.4584 57.6696 42.8648 171.8306 143 Y 4.4157 7.9582 123.2362 56.0218 40.4973 174.1986 144 L 4.8139 7.7452 126.4295 53.0091 45.4019 175.3125 145 F 5.1285 9.2986 124.0811 55.5543 43.4603 173.5509 146 E 5.2955 8.5506 117.1021 55.5620 33.3357 173.9674 147 M 5.0959 8.4580 115.7509 55.8373 35.1997 172.9211 148 D 5.4647 8.5487 119.6321 53.1914 43.9067 175.7187 149 S 5.2925 9.0782 114.5696 58.2350 66.0529 176.2064 150 S 4.4796 9.0080 121.3599 60.6161 63.0015 176.5085 151 L 3.9771 7.7476 119.9094 57.0246 41.4447 177.6531 152 A 4.3542 7.9485 120.3944 52.5773 19.2289 176.2337 153 C 4.4435 8.0891 115.2434 56.6645 40.6189 174.0273 154 S 4.3539 8.2421 118.5583 58.3426 62.7622 173.9154 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 E 8.44 4.28 0.00 1.95 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 0.00 2.20 2.29 0.00 4 K 7.92 4.41 0.00 1.98 1.78 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.51 7.81 5 T 8.78 4.61 4.22 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 0.00 0.00 0.00 1.25 0.00 0.00 6 C 8.62 4.89 0.00 2.95 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 7 D 9.10 5.14 0.00 2.62 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 8 L 8.49 4.82 0.00 1.53 1.60 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.37 3.44 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 0.75 0.00 0.00 1.03 0.00 0.00 10 G 9.28 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 0.00 0.00 0.00 0.00 *15 E 8.82 4.12 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 16 S 8.45 4.28 0.00 3.89 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 17 E 8.76 4.56 0.00 2.21 2.27 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 2.27 2.33 0.00 18 K 7.89 4.18 0.00 1.87 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.45 7.81 19 E 8.14 4.02 0.00 2.00 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 2.41 2.36 0.00 20 L 7.67 3.97 0.00 1.61 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.82 3.98 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 22 L 8.90 3.92 0.00 1.77 1.90 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.20 4.19 0.00 2.05 1.87 1.15 0.53 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 24 K 8.25 3.97 0.00 1.87 1.95 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 25 R 7.64 3.97 0.00 2.03 1.98 0.00 3.18 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 L 7.74 4.46 0.00 2.06 1.86 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.51 2.00 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 0.85 0.00 0.00 28 P 0.00 4.33 0.00 2.01 2.10 0.00 3.58 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 29 L 8.10 4.63 0.00 1.91 1.93 1.02 1.05 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 30 F 7.97 4.57 0.00 2.89 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 31 Q 8.05 4.14 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 32 K 7.75 4.05 0.00 1.67 0.92 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.30 7.81 33 S 7.84 4.43 0.00 3.65 3.51 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 34 F 8.63 4.93 0.00 2.75 2.41 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 35 E 8.72 5.86 0.00 1.98 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 2.46 2.17 0.00 36 S 9.07 4.92 0.00 4.35 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 37 T 8.80 5.15 4.33 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 1.35 0.00 0.00 38 V 8.95 4.52 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.26 0.00 0.00 39 G 8.98 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 40 Q 7.94 4.72 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 41 S 8.61 4.32 0.00 3.89 3.89 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 42 P 0.00 4.81 0.00 2.16 2.12 0.00 3.75 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 1.93 1.97 0.00 43 D 7.77 4.98 0.00 2.79 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 44 M 7.72 4.76 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.68 0.00 45 Y 9.14 5.19 0.00 2.84 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 46 S 9.14 5.19 0.00 3.87 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 47 Y 9.44 5.41 0.00 3.35 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 48 V 8.90 4.95 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 1.08 0.00 0.00 0.98 0.00 0.00 49 F 9.40 5.49 0.00 2.63 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 0.00 0.00 0.00 50 R 8.51 4.42 0.00 1.64 1.48 0.00 3.07 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.42 0.00 51 V 7.95 3.89 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 1.17 0.00 0.00 0.85 0.00 0.00 52 C 9.08 3.28 0.00 1.82 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.65 4.04 0.00 1.41 1.50 0.00 3.20 0.00 0.00 2.87 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.50 0.00 54 E 8.56 4.20 0.00 1.93 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 2.34 2.29 0.00 55 A 8.72 4.42 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 56 G 7.74 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 57 Q 9.65 4.32 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.34 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 58 H 8.34 5.00 0.00 3.22 3.28 0.00 5.50 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.78 4.52 0.00 3.92 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 60 S 8.23 4.27 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.58 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.77 4.20 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 63 G 9.03 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 0.00 0.00 0.00 64 L 7.84 5.42 0.00 2.02 1.60 -0.08 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.09 4.94 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 0.64 0.00 0.00 0.96 0.00 0.00 66 Q 9.26 4.76 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.37 1.91 0.00 67 I 9.08 4.72 1.86 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 1.11 0.65 0.89 0.00 0.00 68 Q 8.70 3.63 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.81 0.00 0.00 0.00 0.00 0.00 2.16 1.57 0.00 69 K 8.18 4.23 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.32 7.81 70 S 7.97 4.24 0.00 3.92 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.55 4.79 0.00 2.74 2.85 0.00 0.00 6.05 7.00 0.00 0.00 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 8.70 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.28 4.06 0.00 1.98 1.74 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.46 7.81 74 E 8.85 5.11 0.00 1.72 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 0.00 2.21 2.48 0.00 75 T 8.78 4.68 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 1.25 0.00 0.00 76 V 9.04 4.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.88 0.00 0.00 77 V 8.67 3.51 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 0.57 0.00 0.00 0.66 0.00 0.00 78 G 7.64 4.33 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 0.00 79 R 9.08 5.19 0.00 1.68 1.65 0.00 3.12 0.00 0.00 3.16 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 0.00 80 F 8.38 3.94 0.00 2.92 2.26 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 81 N 7.23 4.60 0.00 2.64 2.46 0.00 0.00 5.88 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 82 E 7.95 4.80 0.00 1.91 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 2.19 2.19 0.00 83 T 8.70 5.23 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 1.42 0.00 0.00 84 Q 8.94 4.76 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 85 I 7.90 4.93 1.83 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 1.35 1.03 0.81 0.00 0.00 86 F 9.44 5.13 0.00 3.30 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 87 Q 8.60 4.48 0.00 1.89 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 1.91 2.23 0.00 88 G 7.41 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 0.00 0.00 0.00 89 S 8.24 4.12 0.00 3.84 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 90 N 9.42 4.47 0.00 3.03 2.99 0.00 0.00 6.38 7.69 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 91 W 7.28 5.82 0.00 3.43 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 92 I 9.22 5.07 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.49 0.99 0.00 0.00 93 M 9.80 5.16 0.00 2.51 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 94 L 8.94 4.96 0.00 1.81 1.44 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.95 5.08 2.09 0.00 0.00 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 1.35 1.07 1.04 0.00 0.00 96 Y 9.01 5.40 0.00 2.92 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 97 K 8.88 4.52 0.00 1.91 1.80 0.00 1.86 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.60 7.81 98 G 8.84 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 99 G 7.99 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 0.00 100 D 8.83 4.68 0.00 2.51 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 0.00 101 E 8.56 4.45 0.00 2.01 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 2.32 2.34 0.00 102 Y 8.60 4.11 0.00 3.14 3.20 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 0.00 103 D 8.13 4.57 0.00 2.94 2.73 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 0.00 104 N 7.39 5.04 0.00 2.96 2.90 0.00 0.00 5.85 7.90 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 0.00 105 H 8.98 4.44 0.00 3.23 3.49 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.77 4.08 0.00 2.48 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 0.00 107 G 8.43 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 0.00 108 R 8.50 4.93 0.00 2.12 2.08 0.00 2.67 0.00 0.00 3.96 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 109 E 8.41 4.37 0.00 2.18 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 0.00 2.64 2.67 0.00 110 Q 8.55 4.42 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.07 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 111 R 8.48 4.16 0.00 1.57 1.72 0.00 2.95 0.00 0.00 2.74 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.04 0.00 112 R 8.79 5.24 0.00 1.77 1.88 0.00 3.37 0.00 0.00 4.01 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 113 A 9.29 4.81 1.27 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 0.00 0.00 114 V 8.45 4.60 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 0.91 0.00 0.00 0.99 0.00 0.00 115 V 8.95 4.71 1.80 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 0.73 0.00 0.00 0.11 0.00 0.00 116 M 9.10 4.66 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 117 I 9.02 4.63 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.96 0.00 0.00 118 S 8.93 5.23 0.00 3.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.73 4.82 0.00 3.17 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 0.00 120 N 8.45 4.64 0.00 2.81 2.68 0.00 0.00 7.22 7.65 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 0.00 121 R 8.73 4.08 0.00 1.72 1.92 0.00 3.22 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 122 H 8.57 4.60 0.00 3.36 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.30 4.66 4.31 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 1.28 0.00 0.00 124 L 8.79 3.96 0.00 1.76 1.70 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.42 5.25 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 0.00 126 D 8.42 4.57 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.54 4.53 0.00 2.99 2.97 0.00 0.00 6.48 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.76 5.43 0.00 3.04 3.15 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 0.00 129 N 7.86 4.54 0.00 2.65 2.78 0.00 0.00 6.50 7.76 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 0.00 130 P 0.00 4.24 0.00 1.89 1.62 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 131 V 8.28 4.12 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 0.66 0.00 0.00 0.78 0.00 0.00 132 S 7.18 4.73 0.00 3.86 3.51 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 0.00 133 E 8.75 4.19 0.00 1.78 1.68 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 1.83 1.80 0.00 134 E 7.52 4.67 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 135 R 9.79 4.14 0.00 1.76 1.60 0.00 3.13 0.00 0.00 3.51 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 136 G 8.20 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.82 3.98 0.00 1.86 1.95 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.41 7.81 138 V 7.88 3.93 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 0.90 0.00 0.00 0.93 0.00 0.00 139 Q 8.13 4.92 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.29 0.00 140 D 8.85 4.46 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.02 3.88 0.00 2.94 2.81 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 0.00 142 F 7.29 4.97 0.00 2.88 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 0.00 143 Y 7.96 4.42 0.00 3.06 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 0.00 144 L 7.75 4.81 0.00 1.31 1.16 0.93 0.61 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 0.00 145 F 9.30 5.13 0.00 2.71 2.43 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 0.00 146 E 8.55 5.30 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 2.19 2.16 0.00 147 M 8.46 5.10 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 148 D 8.55 5.46 0.00 2.68 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 0.00 149 S 9.08 5.29 0.00 3.90 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 0.00 150 S 9.01 4.48 0.00 4.06 4.32 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 0.00 151 L 7.75 3.98 0.00 1.71 1.80 0.93 0.63 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 0.00 152 A 7.95 4.35 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 0.00 153 C 8.09 4.44 0.00 3.09 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 0.00 154 S 8.24 4.35 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.