NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2891 8.3344 115.4131 57.9320 64.2585 172.8115 3 L 4.2101 8.1394 122.8049 52.4364 41.5363 174.4884 4 T 4.2514 8.5843 117.4241 61.5979 69.8238 173.1672 5 Q 4.6435 9.6279 129.4575 54.8845 31.4103 173.8823 6 H 5.4520 8.7834 122.0109 54.2406 31.7395 173.3466 7 L 5.0108 9.2130 122.9095 53.3611 46.2689 174.9095 8 V 4.8400 8.5601 124.1373 61.1893 34.0169 174.2852 9 I 5.1097 9.3970 129.2398 59.8284 40.6480 174.6371 10 T 5.1231 9.0630 122.0860 61.8287 72.3168 172.9095 11 A 5.7160 8.5352 125.6584 50.3861 23.4221 175.2087 12 V 4.8747 8.3830 120.2190 61.3617 35.0550 174.2648 13 G 4.5583 9.0562 113.3574 45.0160 0.0000 172.2273 14 T 4.4658 8.5277 118.0169 62.9164 68.9887 173.7650 15 D 4.6016 8.7973 127.8410 54.5961 41.7966 175.8651 16 R 4.7206 8.3844 120.7860 54.2111 32.8829 174.7986 17 P 4.0173 0.0000 0.0000 65.4390 31.7409 177.6468 18 G 4.0179 7.8586 104.8062 45.1117 0.0000 174.4748 19 I 3.3589 7.6195 122.3011 64.0889 37.6546 177.5588 20 C 4.0024 7.3542 118.1568 61.6555 31.3193 175.0739 21 N 4.2851 7.7734 118.4881 56.5543 38.1423 176.9216 22 E 3.9117 8.0622 119.3557 59.4137 29.5283 179.5474 23 V 3.6617 7.3913 117.7826 66.3274 31.6861 178.6834 24 V 3.7400 7.6189 111.8230 63.7442 31.2188 178.7935 25 R 3.8193 8.1926 119.4351 59.3527 29.7923 178.2345 26 L 3.9133 8.2972 119.4470 58.0116 42.4825 178.8914 27 V 3.7276 7.8676 118.3728 66.3038 31.5770 178.2279 28 T 4.0603 8.2612 109.4099 64.8596 68.7695 175.8976 29 Q 4.1409 8.3468 118.1120 56.6244 28.5727 176.2889 30 A 4.3852 7.6913 120.2177 51.8810 19.7371 178.2062 31 G 3.9825 8.0549 104.2175 44.8611 0.0000 173.7078 32 C 4.6836 7.5348 116.4109 59.2662 29.8059 172.5055 33 N 4.9680 9.0934 118.0181 51.8370 41.2574 174.5687 34 I 4.3116 8.0953 122.7378 60.0671 37.5500 175.7388 35 I 3.8828 8.5415 129.2604 64.0052 37.5764 175.9403 36 D 4.5961 7.6791 118.7649 54.0822 44.5634 173.6891 37 S 4.9953 8.1664 114.7190 57.9354 65.7966 174.6915 38 R 4.6376 8.9314 118.8996 54.5773 34.0707 174.4980 39 I 4.8044 8.4058 123.6586 59.3475 40.0222 174.8203 40 A 4.4160 8.5583 127.7244 50.2865 22.8770 174.6758 41 M 4.6659 8.5915 121.2211 54.1510 33.2520 174.8459 42 F 5.2023 8.5627 125.7757 56.5581 41.7391 175.9322 43 G 3.9179 8.4706 115.3212 47.2899 0.0000 174.2720 44 K 4.4687 8.6676 124.3954 55.9584 32.2280 175.1618 45 E 5.0390 8.3362 119.9947 55.3594 31.9024 174.8910 46 F 4.9883 9.5618 125.7333 56.8784 41.2647 174.4417 47 T 4.7650 8.2292 116.9592 59.5771 71.7523 172.8462 48 L 4.9011 8.3032 126.0639 53.2026 45.7789 174.6255 49 L 5.1309 8.8114 126.1879 53.2787 44.3237 175.1695 50 M 5.1596 8.9808 122.1256 54.1027 36.6509 173.0867 51 L 5.4205 8.7442 126.2536 53.3338 45.1832 175.2448 52 I 5.1789 8.9221 119.8112 59.1448 41.4598 174.3539 53 S 4.9474 8.5524 116.0762 57.1557 66.8758 173.5800 54 G 4.0622 8.3553 107.0540 46.3763 0.0000 172.8600 55 S 4.7559 8.0770 114.5984 56.8898 64.1933 173.3619 56 P 4.2114 0.0000 0.0000 65.8616 30.8068 178.6514 57 S 4.0318 7.9471 112.4514 61.4670 62.4896 175.7379 58 N 4.3667 8.5594 119.6063 56.2159 38.1842 177.5430 59 I 3.6707 8.0170 121.4186 64.7716 37.1742 178.4463 60 T 4.2854 7.7291 117.6508 66.1343 68.2535 176.3754 61 R 3.8520 7.9278 120.4897 59.5801 30.0983 178.7484 62 V 3.6557 7.7487 117.9361 65.8866 31.4963 177.9386 63 E 4.0591 8.8974 118.5667 58.9962 28.9452 179.2128 64 T 4.0424 8.1000 116.4616 66.3992 68.8644 177.2512 65 T 3.9069 7.8726 111.6325 64.5389 68.7633 175.9520 66 L 3.9236 7.8478 123.0024 57.8140 41.8767 177.3027 67 P 4.3099 0.0000 0.0000 65.4991 31.4318 178.2523 68 L 4.1357 7.3765 119.2229 57.6719 41.1741 179.1095 69 L 4.0512 7.8232 120.4819 58.1792 41.9873 178.9930 70 G 3.6810 7.9647 103.9965 46.4433 0.0000 175.4880 71 Q 4.0329 7.9950 122.1695 58.9341 29.3819 176.9311 72 Q 4.4162 7.8314 114.5207 56.8918 29.0257 175.4884 73 H 4.7223 7.1860 115.1898 55.0136 30.8829 172.9438 74 D 4.4462 8.3187 116.8551 55.0899 38.3258 173.3930 75 L 4.5065 7.5908 119.9137 54.9866 43.3348 176.0293 76 I 4.6766 8.9089 125.2351 59.7420 39.7036 174.9949 77 T 5.1842 8.4107 116.5208 60.4907 72.0567 173.3733 78 M 4.6655 8.3987 120.3006 55.1331 36.0258 173.3576 79 M 5.8411 8.2713 124.2403 52.6800 37.0386 174.7900 80 K 4.1958 8.0374 116.2375 55.7156 35.3890 174.7983 81 R 4.6078 8.8423 126.8531 57.2494 30.9259 175.4619 82 T 4.4881 8.0314 113.5721 61.2848 70.8764 173.1739 83 S 4.3400 8.6466 121.4932 57.3630 63.5179 172.6402 84 P 3.6766 0.0000 0.0000 62.9980 31.4586 175.2819 85 H 4.5799 8.3672 119.7549 54.7127 30.2230 174.3256 86 D 4.4748 8.4088 127.6273 52.0273 39.4559 175.5727 87 H 3.9697 8.7897 124.7277 56.6756 29.7922 174.8687 88 Q 4.3755 8.4828 127.4925 54.1568 28.0330 175.3077 89 T 3.9923 8.0715 113.6697 61.3728 69.5953 173.7869 90 H 4.9319 8.6336 119.7937 53.8081 30.9390 173.5962 91 A 4.3215 8.5967 123.8233 53.3973 20.5596 175.9994 92 Y 5.3210 8.4441 111.8179 57.0098 43.5631 174.4048 93 T 5.0027 9.3838 117.5305 62.1243 71.9594 173.4948 94 V 4.7659 9.3440 121.3832 59.7791 34.1161 174.7569 95 E 4.9911 8.9508 125.1189 54.5480 31.9669 175.1783 96 V 4.6527 8.9205 124.4930 61.1863 35.0876 173.8981 97 Y 4.7887 8.6027 126.6675 56.1121 41.9787 173.7372 98 V 4.7487 8.1104 127.1412 60.9802 34.6731 174.0689 99 E 5.0081 9.3347 126.2027 54.7350 33.3432 174.8383 100 S 4.9461 9.2647 117.8920 57.3739 66.3957 173.6544 101 D 4.8314 8.8642 119.8534 53.2660 40.5636 176.0713 102 D 4.9022 8.0022 120.1843 52.3445 42.8614 176.2024 103 K 3.6949 8.1384 121.2706 56.0886 33.6072 174.3810 104 L 3.5401 7.9116 121.8821 55.8439 41.3395 175.5793 105 G 4.0893 8.6421 112.9955 45.8219 0.0000 173.5148 106 L 4.1378 7.8348 122.5790 58.0781 42.1292 178.8350 107 T 4.1432 8.1140 115.5213 66.8305 68.5115 176.0767 108 E 4.4613 8.1536 119.4144 58.1478 29.6763 179.0534 109 K 4.0107 7.9299 120.4084 59.4947 31.8983 179.1248 110 F 4.2139 8.0299 117.7894 60.2999 38.8631 177.9009 111 T 4.3859 8.2003 109.7680 64.8925 68.7412 176.5825 112 Q 4.0071 8.2929 122.5037 58.8087 28.5749 177.8622 113 F 4.3690 7.9562 122.9893 60.7829 39.2883 177.1039 114 F 4.0131 7.8243 115.4362 59.8700 38.8200 177.9364 115 A 4.0168 8.1890 120.6740 55.4252 18.1297 179.5693 116 Q 4.0268 8.5777 116.7643 58.7740 28.9261 178.6412 117 R 4.3697 7.1783 113.6947 55.2191 30.2911 176.0679 118 Q 3.5484 8.3139 115.9362 56.9406 26.7883 173.0724 119 I 4.3575 8.1951 119.2181 59.9473 38.4919 175.9829 120 G 3.9200 8.6274 114.7623 46.0485 0.0000 172.8728 121 M 4.6756 8.6271 123.6608 54.6919 32.9625 175.7316 122 A 4.7867 8.9888 122.3862 52.6160 21.7598 176.8423 123 S 4.6966 7.7040 107.7350 57.6167 66.0891 173.6161 124 L 5.3026 8.3334 122.4341 54.2401 45.4463 174.9505 125 S 4.6928 8.8886 116.9975 57.1782 66.7580 173.1288 126 A 4.7582 8.3747 125.0752 50.5368 21.5023 174.8883 127 Q 4.5857 7.8195 119.2076 55.7340 32.5494 173.4989 128 T 4.9335 8.5100 117.0593 63.0002 69.6133 174.6127 129 I 3.9913 8.4701 126.7371 62.0352 38.9321 176.9836 130 S 2.9040 7.6964 111.1195 57.8949 63.9332 174.9346 131 K 3.9768 5.6600 119.2373 56.1252 35.5070 173.3308 *139 N 4.6884 8.8546 123.5587 52.3354 38.9783 173.7830 140 Q 4.9306 7.8344 117.0992 54.6712 32.2108 173.9048 141 F 5.3498 9.5105 124.3699 56.8650 42.0345 173.7618 142 H 5.0350 8.6156 123.4330 53.8963 31.5811 172.9428 143 I 4.7589 8.3229 123.6835 59.2746 40.1603 174.5562 144 A 5.0354 9.3726 128.2812 50.3228 22.1100 174.9081 145 I 5.0957 8.6794 122.9838 59.6762 41.4961 174.8285 146 S 5.1620 9.2024 121.5622 56.7269 65.7987 173.1236 147 A 4.9423 9.1021 125.5301 50.1793 22.9186 174.5783 148 R 5.1163 8.2261 118.2887 54.5059 32.3737 176.2251 149 V 4.6866 8.6004 116.7945 59.5771 35.2350 175.9379 150 D 4.9506 8.4581 123.0654 52.2179 41.3950 176.9909 151 S 4.2529 8.6190 112.8245 61.3680 63.0964 175.1986 152 G 3.8292 7.9513 107.9777 45.8560 0.0000 172.3646 153 C 4.4209 7.4407 120.2473 57.4338 32.7094 173.5822 154 N 4.4696 8.5329 125.2226 52.9582 38.6345 175.2315 155 L 3.7334 8.0234 129.0577 57.9132 41.8848 179.0487 156 M 4.0939 7.8495 117.6050 58.5914 32.2057 177.8936 157 Q 4.0448 8.0046 119.4910 58.8649 29.3557 177.5713 158 L 4.1480 8.2573 121.7850 58.2656 42.1760 178.7743 159 Q 4.2046 8.6081 119.6543 59.1338 28.9072 178.1243 160 E 4.0319 8.3362 119.4911 59.5679 29.6217 179.0901 161 E 4.0678 8.4878 118.6331 59.4704 29.5028 179.2753 162 F 3.5603 8.7119 120.8017 61.0667 39.3198 177.0510 163 D 4.1201 8.2047 118.5572 56.9462 40.5981 178.4940 164 A 3.9079 8.1777 121.5346 54.9618 18.3917 179.2593 165 L 3.6928 7.6894 118.7048 58.6657 42.1244 178.8934 166 C 4.0234 7.4736 116.3897 63.1280 27.9456 176.5210 167 T 3.7770 8.0597 117.2732 66.5662 67.8715 176.5020 168 A 3.9775 8.2478 121.6083 54.8399 18.4408 178.7392 169 L 4.2687 8.0210 114.3350 53.3567 42.7823 176.0021 170 D 4.3269 7.8578 117.6599 55.7140 39.9655 172.5415 171 V 4.6274 7.6493 109.3810 59.6068 36.5442 176.5521 172 Q 4.4316 8.6655 121.4243 54.9878 29.8616 175.5436 173 G 5.1522 8.6098 110.7097 44.9685 0.0000 171.4901 174 S 5.1810 8.8999 116.2705 56.1683 66.8225 172.3745 175 L 4.8035 8.3334 121.6534 53.2811 45.1620 174.9642 176 N 4.9442 8.4592 121.9713 51.8430 42.7765 172.8173 177 F 5.5631 8.7838 122.9677 55.8892 42.2449 174.8488 178 I 4.8503 9.0741 123.2316 59.6996 40.9486 174.8833 179 K 4.9158 9.1063 126.3971 54.6712 34.7242 176.4988 180 N 4.5198 8.1232 117.2649 53.0507 37.4119 174.2294 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.33 4.29 0.00 3.99 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 3 L 8.14 4.21 0.00 1.77 1.67 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.58 4.25 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 1.20 0.00 0.00 5 Q 9.63 4.64 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 6 H 8.78 5.45 0.00 3.37 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.21 5.01 0.00 1.66 1.43 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.56 4.84 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 0.95 0.00 0.00 0.93 0.00 0.00 9 I 9.40 5.11 1.87 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 1.23 0.61 0.92 0.00 0.00 10 T 9.06 5.12 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 1.20 0.00 0.00 11 A 8.54 5.72 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 12 V 8.38 4.87 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 1.07 0.00 0.00 0.93 0.00 0.00 13 G 9.06 4.56 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 0.00 0.00 0.00 14 T 8.53 4.47 4.27 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 1.24 0.00 0.00 15 D 8.80 4.60 0.00 2.78 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 16 R 8.38 4.72 0.00 1.93 1.92 0.00 3.04 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 17 P 0.00 4.02 0.00 2.04 2.10 0.00 3.60 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 2.01 2.12 0.00 18 G 7.86 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 19 I 7.62 3.36 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.67 -0.04 0.00 0.00 20 C 7.35 4.00 0.00 2.81 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 21 N 7.77 4.29 0.00 3.00 2.79 0.00 0.00 6.82 7.67 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 22 E 8.06 3.91 0.00 1.87 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 0.00 2.35 2.42 0.00 23 V 7.39 3.66 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 1.09 0.00 0.00 1.01 0.00 0.00 24 V 7.62 3.74 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 0.72 0.00 0.00 1.02 0.00 0.00 25 R 8.19 3.82 0.00 2.00 2.01 0.00 3.08 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 1.61 1.62 0.00 26 L 8.30 3.91 0.00 1.77 1.84 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.87 3.73 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 0.99 0.00 0.00 0.98 0.00 0.00 28 T 8.26 4.06 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 29 Q 8.35 4.14 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 30 A 7.69 4.39 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 31 G 8.05 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 32 C 7.53 4.68 0.00 2.99 2.97 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 33 N 9.09 4.97 0.00 2.55 2.68 0.00 0.00 7.27 7.33 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 34 I 8.10 4.31 1.86 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 1.34 0.54 0.90 0.00 0.00 35 I 8.54 3.88 1.96 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 1.09 0.77 0.93 0.00 0.00 36 D 7.68 4.60 0.00 2.71 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.17 5.00 0.00 3.93 3.76 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 38 R 8.93 4.64 0.00 1.58 1.72 0.00 3.19 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 39 I 8.41 4.80 1.82 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 0.86 0.00 0.00 40 A 8.56 4.42 0.40 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 41 M 8.59 4.67 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 42 F 8.56 5.20 0.00 3.06 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 43 G 8.47 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 44 K 8.67 4.47 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.40 7.81 45 E 8.34 5.04 0.00 2.06 1.91 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 2.44 2.46 0.00 46 F 9.56 4.99 0.00 3.24 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 47 T 8.23 4.77 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 1.07 0.00 0.00 48 L 8.30 4.90 0.00 1.15 1.18 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.81 5.13 0.00 1.51 1.48 0.89 0.42 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 50 M 8.98 5.16 0.00 2.02 1.81 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 51 L 8.74 5.42 0.00 1.74 1.41 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.92 5.18 1.93 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 1.41 0.76 0.90 0.00 0.00 53 S 8.55 4.95 0.00 3.60 3.61 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 54 G 8.36 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 0.00 0.00 0.00 55 S 8.08 4.76 0.00 4.01 4.01 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 56 P 0.00 4.21 0.00 2.29 2.35 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 57 S 7.95 4.03 0.00 3.91 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 58 N 8.56 4.37 0.00 2.81 2.93 0.00 0.00 7.11 7.14 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 59 I 8.02 3.67 1.87 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 1.71 1.06 0.97 0.00 0.00 60 T 7.73 4.29 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 1.21 0.00 0.00 61 R 7.93 3.85 0.00 1.93 2.11 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 62 V 7.75 3.66 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 63 E 8.90 4.06 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 64 T 8.10 4.04 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 1.21 0.00 0.00 65 T 7.87 3.91 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 1.27 0.00 0.00 66 L 7.85 3.92 0.00 1.99 1.73 0.93 0.93 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 67 P 0.00 4.31 0.00 2.07 2.11 0.00 3.99 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 2.11 2.19 0.00 68 L 7.38 4.14 0.00 1.89 1.72 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.82 4.05 0.00 1.69 1.83 0.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.96 3.68 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 0.00 0.00 0.00 71 Q 7.99 4.03 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 72 Q 7.83 4.42 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.61 2.71 0.00 73 H 7.19 4.72 0.00 3.28 3.28 0.00 6.00 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 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 83 S 8.65 4.34 0.00 3.88 3.77 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 84 P 0.00 3.68 0.00 2.09 1.94 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 85 H 8.37 4.58 0.00 3.08 3.30 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.41 4.47 0.00 2.79 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 87 H 8.79 3.97 0.00 3.09 3.27 0.00 5.73 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 88 Q 8.48 4.38 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 89 T 8.07 3.99 4.17 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 0.94 0.00 0.00 90 H 8.63 4.93 0.00 3.24 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.60 4.32 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.44 5.32 0.00 2.95 2.97 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 93 T 9.38 5.00 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 1.21 0.00 0.00 94 V 9.34 4.77 1.81 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 0.99 0.00 0.00 0.94 0.00 0.00 95 E 8.95 4.99 0.00 1.78 1.79 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 2.19 2.18 0.00 96 V 8.92 4.65 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 0.86 0.00 0.00 0.63 0.00 0.00 97 Y 8.60 4.79 0.00 3.05 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 98 V 8.11 4.75 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 0.47 0.00 0.00 0.02 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.33 5.30 0.00 1.64 1.53 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.89 4.69 0.00 3.83 3.85 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 0.00 126 A 8.37 4.76 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 0.00 127 Q 7.82 4.59 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.85 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 128 T 8.51 4.93 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 1.28 0.00 0.00 129 I 8.47 3.99 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.32 0.85 0.00 0.00 130 S 7.70 2.90 0.00 3.84 3.57 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 0.00 131 K 5.66 3.98 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.30 7.81 *139 N 8.85 4.69 0.00 2.92 2.95 0.00 0.00 6.17 7.39 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 0.00 140 Q 7.83 4.93 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 141 F 9.51 5.35 0.00 3.04 2.92 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 0.00 142 H 8.62 5.03 0.00 2.81 2.69 0.00 5.64 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.32 4.76 1.54 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.64 0.84 0.00 0.00 144 A 9.37 5.04 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 0.00 145 I 8.68 5.10 1.96 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.74 0.00 0.00 146 S 9.20 5.16 0.00 3.64 3.67 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 0.00 147 A 9.10 4.94 0.64 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 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.23 5.12 0.00 1.59 1.74 0.00 2.97 0.00 0.00 2.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.44 0.00 149 V 8.60 4.69 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 0.90 0.00 0.00 1.10 0.00 0.00 150 D 8.46 4.95 0.00 2.89 2.87 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 0.00 151 S 8.62 4.25 0.00 4.04 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 0.00 152 G 7.95 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 0.00 0.00 0.00 153 C 7.44 4.42 0.00 2.98 2.98 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 0.00 154 N 8.53 4.47 0.00 2.82 2.72 0.00 0.00 7.22 6.66 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 0.00 155 L 8.02 3.73 0.00 1.15 0.28 -0.70 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 156 M 7.85 4.09 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 157 Q 8.00 4.04 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 158 L 8.26 4.15 0.00 2.04 2.10 1.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 8.61 4.20 0.00 2.46 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 160 E 8.34 4.03 0.00 2.31 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 2.38 2.50 0.00 161 E 8.49 4.07 0.00 2.38 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 2.42 2.82 0.00 162 F 8.71 3.56 0.00 3.16 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 0.00 163 D 8.20 4.12 0.00 2.95 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 0.00 164 A 8.18 3.91 1.36 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 0.00 165 L 7.69 3.69 0.00 1.62 1.37 0.67 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 166 C 7.47 4.02 0.00 2.88 2.94 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 0.00 167 T 8.06 3.78 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 1.18 0.00 0.00 168 A 8.25 3.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.02 4.27 0.00 1.54 1.66 0.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 170 D 7.86 4.33 0.00 2.74 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 0.00 171 V 7.65 4.63 2.28 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 0.88 0.00 0.00 1.00 0.00 0.00 172 Q 8.67 4.43 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 173 G 8.61 5.15 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 0.00 0.00 0.00 174 S 8.90 5.18 0.00 3.87 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 0.00 175 L 8.33 4.80 0.00 1.17 1.27 0.69 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 176 N 8.46 4.94 0.00 2.68 2.45 0.00 0.00 7.03 7.77 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 0.00 177 F 8.78 5.56 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 9.07 4.85 1.96 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 1.34 0.88 0.95 0.00 0.00 179 K 9.11 4.92 0.00 1.26 0.88 0.00 1.09 0.00 0.00 2.61 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.15 7.81 180 N 8.12 4.52 0.00 2.72 2.74 0.00 0.00 5.91 7.56 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 * Residues marked with a * may have inaccurate shift predictions.