NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 3.9951 8.2127 109.7441 45.1407 0.0000 174.7496 10 F 4.2544 8.6928 123.1335 59.9662 39.3042 174.0611 11 E 3.9415 9.0347 120.1655 59.1595 29.8255 177.9430 12 D 4.2785 7.9740 118.8065 57.0019 40.8507 178.3476 13 A 3.9242 7.8941 120.8332 55.2492 18.4375 179.6310 14 V 3.3057 7.8137 119.3867 66.7398 31.5299 178.7829 15 E 3.9605 8.0325 118.0519 60.7788 29.4730 180.6162 16 L 4.1060 7.8648 121.4055 58.0769 42.1375 178.9732 17 R 4.0180 8.2844 119.0742 59.5225 29.9618 178.4426 18 R 3.8560 8.0668 118.3913 59.2101 29.9788 178.3997 19 K 3.8532 8.1040 119.4047 59.6142 32.2173 178.4703 20 N 4.1128 8.3655 117.0250 56.2266 38.3846 177.2766 21 R 3.0837 8.0736 120.2590 59.2424 30.0666 178.3074 22 E 3.8287 7.9928 118.2700 59.7529 29.3390 179.5928 23 T 3.7068 7.4439 115.5673 66.3367 68.2327 176.8687 24 V 2.6150 6.9567 119.1090 65.6478 31.4472 177.9277 25 V 3.5772 7.2954 116.5091 65.7617 31.4420 177.3280 26 K 4.0284 7.7912 118.1774 59.7211 32.2201 178.5144 27 Y 4.0134 7.8810 116.0021 58.7892 38.4299 177.0615 *29 N 4.7795 8.0341 114.5135 52.4921 40.5916 174.6291 30 T 4.1586 7.7975 116.7134 62.9718 69.0341 173.9667 31 K 4.6204 8.2549 124.2035 55.8783 36.7675 176.3902 32 G 3.8694 8.5906 106.4073 46.4540 0.0000 175.9758 33 Q 4.0818 8.5747 117.8964 58.6402 29.2665 178.1010 34 D 4.5097 7.7955 116.5512 56.7989 41.0987 178.7525 35 R 4.0307 8.2314 118.6741 59.0065 30.2136 178.9237 36 L 4.0896 7.8807 117.2013 57.0833 41.8824 178.0533 37 R 4.4577 7.9144 115.8171 55.8171 30.7707 177.8738 38 R 4.0084 7.9573 120.8285 59.4613 29.9372 178.0087 39 H 4.3577 8.3878 114.5096 58.4444 28.0860 177.0225 40 E 4.1462 7.9199 120.4598 58.7289 29.5646 178.2894 41 L 4.2362 8.3438 118.2883 55.1335 41.7517 176.4698 42 F 5.1781 7.5829 117.6821 55.4403 41.1580 176.0995 43 V 3.9556 8.2441 116.1206 61.0452 32.1894 177.3766 44 E 3.9327 8.8831 122.6844 59.3658 29.5700 177.8494 45 D 4.9159 8.0888 115.5732 53.1974 39.9254 176.4295 46 G 4.2441 8.2243 108.4897 47.0884 0.0000 172.7265 47 C 5.3896 9.3728 115.2861 56.5568 33.8286 173.1519 48 G 4.7353 9.8317 107.0300 45.0002 0.0000 171.3214 49 G 4.4206 7.8660 103.9838 45.0633 0.0000 170.9532 50 L 5.0965 8.2320 122.2691 53.3731 43.5694 177.4181 51 W 4.2380 9.2145 125.7024 56.4539 29.4913 176.5243 52 T 4.4854 7.7266 109.3481 59.7029 68.4298 172.9391 53 T 4.7340 7.7645 117.6063 59.3590 72.0479 175.1237 54 D 4.3859 8.6308 121.4407 56.1893 39.4988 177.6426 55 T 4.0207 7.3646 108.8976 61.9914 69.2757 176.0587 56 G 3.8865 7.9171 109.6351 45.0892 0.0000 172.8832 57 S 4.5819 7.6719 114.8013 55.3562 63.9470 171.9325 58 P 4.0779 0.0000 0.0000 62.6447 32.2672 176.0388 59 I 3.9152 7.9991 122.8439 60.4368 38.0677 174.8910 60 V 4.4783 8.0052 127.8060 61.2531 33.0729 175.3759 61 I 4.2183 9.1490 130.2197 59.7285 38.0384 173.5815 62 R 4.5739 8.4184 126.9960 55.5919 31.4920 176.3758 63 G 3.9952 9.4501 113.6699 45.5156 0.0000 174.2200 64 K 3.8210 8.9303 123.0314 59.0382 32.1481 179.0566 65 D 4.2906 8.0295 119.0460 56.7101 39.1681 178.8338 66 K 3.9834 7.9283 119.9881 58.5881 32.0969 179.2429 67 L 3.8934 8.1088 119.3525 57.6836 41.2922 179.3017 68 A 3.9581 7.8084 119.6140 55.3290 18.0369 179.2813 69 E 4.0918 8.1664 116.9876 59.6776 29.4732 178.9851 70 H 4.2520 8.7004 118.5297 59.1084 29.8241 177.1006 71 A 4.0896 8.1316 122.7643 55.0460 18.2754 179.8097 72 V 3.5358 7.5915 115.9224 65.9927 31.6154 178.0684 73 W 4.0783 8.2391 127.6434 60.4296 30.5168 177.6675 74 S 4.0064 8.5586 113.4825 61.4750 61.9830 176.2373 75 L 4.1821 8.1699 121.6786 57.2932 41.0221 179.5686 76 K 3.8061 7.5450 118.7992 59.6630 32.5287 178.3425 77 C 4.2219 7.4845 117.8723 59.7958 28.8389 173.2139 78 F 5.3225 8.3137 118.5453 53.8067 38.7365 173.7598 79 P 5.0025 0.0000 0.0000 64.2999 31.9058 177.8788 80 D 4.9408 7.9653 116.5216 52.2881 39.8249 175.3894 81 W 4.3152 7.8337 129.0447 58.4644 31.2695 175.0876 82 E 4.4623 7.5783 123.8696 54.2483 33.3512 174.8994 83 W 5.0572 8.4595 123.6751 56.9423 30.3848 174.8976 84 Y 4.7903 9.1064 120.2737 55.7239 41.5833 173.6610 85 N 4.2700 8.6814 113.9569 54.4079 36.0760 174.5874 86 I 4.4019 7.6462 117.4617 60.6962 38.7226 177.0499 87 K 4.3623 9.2383 127.0823 54.5983 34.9104 175.2538 88 V 4.4133 8.1665 125.6976 61.3939 33.0624 174.8512 89 F 4.8367 9.5258 127.3867 55.5386 40.8409 175.3622 90 E 3.9022 9.0268 123.7769 56.5566 30.2831 175.9477 91 T 4.8120 7.1200 111.3214 59.4397 71.7008 173.6730 92 D 4.3346 8.8630 120.1971 55.7999 39.5494 175.9508 93 D 4.6124 7.8223 120.5129 52.2253 41.1215 175.0815 94 P 4.2743 0.0000 0.0000 64.9437 31.6107 176.8346 95 N 4.8385 8.8350 114.9499 53.2488 38.8739 173.4702 96 H 5.4346 8.3045 119.5905 54.3273 32.7813 172.4196 97 F 5.2542 9.3424 123.2131 55.5181 43.5818 173.7225 98 W 5.3426 9.2957 120.5362 55.0051 32.8243 174.7337 99 V 5.0989 9.4237 123.3912 61.2670 34.1498 173.5676 100 E 5.3482 9.4079 129.4299 55.0134 31.8827 174.3720 101 C 5.3045 8.9827 120.1625 58.6877 33.8132 172.1637 102 D 5.3931 8.8336 119.2229 53.0227 43.3405 176.1162 103 G 4.4050 9.1573 106.6294 45.4657 0.0000 171.5523 104 H 4.7740 6.4925 116.7905 53.4949 32.6038 173.0340 105 G 4.3160 7.5121 106.9365 45.7456 0.0000 171.6947 106 K 4.7715 8.8929 119.9174 56.5787 33.5107 176.4036 107 I 4.3365 8.8191 123.6985 59.2982 40.6267 174.3339 108 L 5.2170 8.7535 129.6473 52.7037 42.7425 173.9410 109 F 4.9561 8.1465 120.7386 54.7724 40.7217 174.0090 110 P 4.4734 0.0000 0.0000 64.4604 31.4673 176.7476 111 G 3.7979 9.3895 111.2370 45.1415 0.0000 172.4574 112 Y 4.8519 7.4557 115.7566 55.0468 41.5527 173.6913 113 P 4.4264 0.0000 0.0000 62.1399 32.1013 176.1762 114 E 4.1653 8.7942 122.7777 57.3847 30.1862 175.9692 115 G 4.4802 8.9407 111.7686 44.4116 0.0000 169.8964 116 Y 5.1215 8.6680 120.3181 55.7499 41.0213 173.9817 117 Y 5.2222 8.6388 128.1102 55.7357 41.5527 173.9552 118 E 5.1138 8.9168 123.6615 54.8869 32.7612 174.1839 119 N 4.9023 9.1980 119.4609 53.1424 43.3650 171.9709 120 H 5.4894 8.5290 121.2553 54.3405 32.1892 172.8858 121 F 5.2719 9.5935 123.6632 55.7125 43.0961 173.7544 122 L 5.3664 9.3646 122.3559 53.4489 44.4454 175.0471 123 H 5.3739 9.8196 120.8217 54.0587 31.8250 172.8085 124 S 4.1180 8.6861 118.3669 56.4105 64.1389 172.6160 125 F 4.9564 8.6711 125.4855 55.5342 42.2212 173.8514 126 E 5.0233 9.0146 122.8076 54.5194 32.2833 175.1606 127 L 5.2125 8.9576 123.3247 52.9107 46.1835 175.8357 128 D 4.4676 8.9862 119.5133 53.2891 43.3989 175.2482 129 D 4.3334 9.9660 128.9773 55.3222 39.4782 174.1038 130 G 3.9144 8.8209 106.0051 45.0492 0.0000 173.1764 131 K 4.6556 7.7614 119.3574 54.2922 34.7213 175.4320 132 I 4.2250 8.3553 124.0567 61.0189 37.9140 176.9415 133 K 4.1940 9.0988 125.7361 58.6610 33.3948 177.0776 134 R 5.6567 7.5828 118.8053 54.4742 33.9533 172.7684 135 N 4.8626 8.8654 124.0759 51.6673 41.7984 173.1485 136 R 4.5548 8.1441 124.1359 54.2434 33.8591 174.0409 137 E 4.9808 8.9891 123.5953 55.0324 31.7864 175.1994 138 F 5.0707 9.4787 122.4308 55.6441 43.5468 174.1642 *140 N 4.6415 8.6162 119.6358 53.1392 39.0752 174.8790 141 V 3.6448 8.1061 126.3463 65.9750 31.4200 177.4368 142 F 4.5085 7.9481 117.5938 60.8964 38.7254 177.5179 143 Q 4.1602 8.3500 117.6035 59.0660 28.5615 178.7443 144 Q 3.6165 8.1983 120.2156 58.7807 29.1118 177.7586 145 L 3.9157 7.7978 119.6465 57.9589 41.7256 179.6952 146 R 3.9255 8.2908 117.6237 59.3761 29.9399 178.9036 147 A 4.2396 8.1261 120.3860 54.8261 18.0583 178.6175 148 L 4.2947 7.2793 114.4178 53.8168 41.7941 176.8721 149 S 3.8124 7.6127 113.4469 59.4985 60.9497 171.7398 150 I 4.2619 7.7281 121.2063 59.4182 37.7255 174.4831 151 P 4.2760 0.0000 0.0000 62.7221 31.7419 175.7424 152 V 4.1897 8.1264 122.6804 60.3068 32.4921 173.8605 153 P 4.3204 0.0000 0.0000 62.8873 31.8053 175.4389 154 Q 4.2858 8.3415 119.6305 54.3819 29.9028 175.2443 155 I 4.1304 8.0913 124.4928 59.9275 37.7066 175.5535 156 K 4.2567 8.5757 125.9779 56.0515 32.8825 178.0448 157 R 4.4659 8.2929 126.6171 54.4278 29.4982 174.4368 158 E 4.1139 8.0721 115.1182 57.1906 30.3384 178.4678 159 G 3.9538 8.9457 112.1230 44.1479 0.0000 173.1105 160 I 3.6405 7.4253 120.3929 60.6309 38.2035 173.6148 161 P 4.5800 0.0000 0.0000 62.3361 32.1329 176.3539 162 T 4.2052 8.1921 111.7797 61.9868 68.7777 173.5439 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 9 G 8.21 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 10 F 8.69 4.25 0.00 3.12 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 11 E 9.03 3.94 0.00 2.17 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 2.38 1.97 0.00 12 D 7.97 4.28 0.00 2.83 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 13 A 7.89 3.92 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 14 V 7.81 3.31 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 0.82 0.00 0.00 0.04 0.00 0.00 15 E 8.03 3.96 0.00 2.04 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 2.24 2.18 0.00 16 L 7.86 4.11 0.00 1.84 1.89 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.28 4.02 0.00 1.97 1.90 0.00 3.13 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 18 R 8.07 3.86 0.00 1.95 2.10 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 19 K 8.10 3.85 0.00 1.90 1.97 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 20 N 8.37 4.11 0.00 2.93 2.66 0.00 0.00 6.70 8.32 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 21 R 8.07 3.08 0.00 2.10 2.01 0.00 3.36 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 22 E 7.99 3.83 0.00 2.14 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 2.26 2.44 0.00 23 T 7.44 3.71 4.11 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 1.02 0.00 0.00 24 V 6.96 2.61 1.44 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 0.05 0.00 0.00 -0.16 0.00 0.00 25 V 7.30 3.58 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 0.80 0.00 0.00 0.84 0.00 0.00 26 K 7.79 4.03 0.00 1.93 1.90 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 27 Y 7.88 4.01 0.00 3.02 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 *29 N 8.03 4.78 0.00 2.88 2.92 0.00 0.00 7.13 7.54 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 30 T 7.80 4.16 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 1.23 0.00 0.00 31 K 8.25 4.62 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.44 7.81 32 G 8.59 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 33 Q 8.57 4.08 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 34 D 7.80 4.51 0.00 2.98 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 35 R 8.23 4.03 0.00 2.04 2.03 0.00 3.19 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 36 L 7.88 4.09 0.00 1.82 1.79 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.91 4.46 0.00 1.87 1.88 0.00 3.15 0.00 0.00 3.10 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 38 R 7.96 4.01 0.00 1.83 2.00 0.00 2.21 0.00 0.00 2.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 39 H 8.39 4.36 0.00 3.42 3.54 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.92 4.15 0.00 2.06 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 0.00 2.30 2.22 0.00 41 L 8.34 4.24 0.00 1.91 1.64 1.03 0.80 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 42 F 7.58 5.18 0.00 3.18 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 43 V 8.24 3.96 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 0.71 0.00 0.00 1.11 0.00 0.00 44 E 8.88 3.93 0.00 2.08 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 2.40 2.39 0.00 45 D 8.09 4.92 0.00 2.85 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 46 G 8.22 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 0.00 0.00 0.00 0.00 47 C 9.37 5.39 0.00 3.13 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 48 G 9.83 4.74 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 0.00 0.00 0.00 49 G 7.87 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 0.00 0.00 0.00 0.00 50 L 8.23 5.10 0.00 1.78 1.50 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.21 4.24 0.00 2.42 2.57 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 52 T 7.73 4.49 4.29 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 1.45 0.00 0.00 53 T 7.76 4.73 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 1.14 0.00 0.00 54 D 8.63 4.39 0.00 2.79 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 55 T 7.36 4.02 4.19 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 1.17 0.00 0.00 56 G 7.92 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 0.00 0.00 0.00 57 S 7.67 4.58 0.00 3.73 3.64 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 58 P 0.00 4.08 0.00 0.49 0.49 0.00 3.54 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 59 I 8.00 3.92 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.74 0.73 0.00 0.00 60 V 8.01 4.48 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 0.86 0.00 0.00 0.57 0.00 0.00 61 I 9.15 4.22 1.88 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.38 0.82 0.00 0.00 62 R 8.42 4.57 0.00 1.81 1.80 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 63 G 9.45 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 64 K 8.93 3.82 0.00 2.02 1.93 0.00 1.90 0.00 0.00 1.96 0.00 0.00 3.32 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.65 7.81 65 D 8.03 4.29 0.00 2.88 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 66 K 7.93 3.98 0.00 1.97 1.85 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.52 7.81 67 L 8.11 3.89 0.00 1.67 1.52 -0.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.81 3.96 1.07 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 69 E 8.17 4.09 0.00 2.05 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 2.32 2.45 0.00 70 H 8.70 4.25 0.00 3.26 3.49 0.00 5.59 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 71 A 8.13 4.09 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 72 V 7.59 3.54 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.01 0.00 0.00 73 W 8.24 4.08 0.00 3.38 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 74 S 8.56 4.01 0.00 4.16 4.11 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 75 L 8.17 4.18 0.00 1.85 1.70 0.95 0.50 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 76 K 7.55 3.81 0.00 1.69 1.76 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.38 7.81 77 C 7.48 4.22 0.00 1.59 2.02 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 78 F 8.31 5.32 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 5.00 0.00 2.19 2.25 0.00 3.51 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.90 0.00 80 D 7.97 4.94 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 81 W 7.83 4.32 0.00 3.42 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 82 E 7.58 4.46 0.00 1.72 1.65 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 2.14 2.34 0.00 83 W 8.46 5.06 0.00 3.18 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 84 Y 9.11 4.79 0.00 2.96 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 85 N 8.68 4.27 0.00 2.72 2.88 0.00 0.00 6.80 7.32 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 86 I 7.65 4.40 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.45 0.90 0.00 0.00 87 K 9.24 4.36 0.00 1.83 1.48 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.35 7.81 88 V 8.17 4.41 2.02 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 0.88 0.00 0.00 0.86 0.00 0.00 89 F 9.53 4.84 0.00 3.26 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 90 E 9.03 3.90 0.00 1.82 1.69 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 2.39 2.42 0.00 91 T 7.12 4.81 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 1.39 0.00 0.00 92 D 8.86 4.33 0.00 2.80 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 93 D 7.82 4.61 0.00 2.65 2.59 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 94 P 0.00 4.27 0.00 2.09 2.11 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 95 N 8.83 4.84 0.00 2.90 3.00 0.00 0.00 6.22 8.84 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 96 H 8.30 5.43 0.00 3.17 3.02 0.00 5.54 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 97 F 9.34 5.25 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 W 9.30 5.34 0.00 3.37 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 99 V 9.42 5.10 2.29 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 0.85 0.00 0.00 1.04 0.00 0.00 100 E 9.41 5.35 0.00 2.33 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 0.00 2.35 2.33 0.00 101 C 8.98 5.30 0.00 3.23 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 0.00 102 D 8.83 5.39 0.00 1.58 2.02 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 0.00 103 G 9.16 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 0.00 104 H 6.49 4.77 0.00 3.03 3.28 0.00 5.45 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 0.00 105 G 7.51 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 0.00 0.00 0.00 106 K 8.89 4.77 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.24 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.68 7.81 107 I 8.82 4.34 1.82 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.51 0.75 0.00 0.00 108 L 8.75 5.22 0.00 1.40 1.48 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.15 4.96 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.47 0.00 2.07 2.02 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 111 G 9.39 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 0.00 112 Y 7.46 4.85 0.00 3.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.43 0.00 2.09 2.02 0.00 4.02 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 114 E 8.79 4.17 0.00 1.99 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 2.34 2.36 0.00 115 G 8.94 4.48 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 0.00 116 Y 8.67 5.12 0.00 2.99 2.95 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 0.00 117 Y 8.64 5.22 0.00 2.93 3.08 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 0.00 118 E 8.92 5.11 0.00 2.10 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 2.34 2.40 0.00 119 N 9.20 4.90 0.00 2.41 2.25 0.00 0.00 6.56 8.61 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 0.00 120 H 8.53 5.49 0.00 3.15 3.14 0.00 5.92 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 9.59 5.27 0.00 3.09 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 0.00 122 L 9.36 5.37 0.00 1.73 1.78 0.73 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 123 H 9.82 5.37 0.00 2.99 2.63 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.69 4.12 0.00 2.72 3.19 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 0.00 125 F 8.67 4.96 0.00 2.77 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 0.00 126 E 9.01 5.02 0.00 1.71 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 127 L 8.96 5.21 0.00 1.41 1.59 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.99 4.47 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.97 4.33 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.82 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 0.00 131 K 7.76 4.66 0.00 1.87 1.67 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.51 7.81 132 I 8.36 4.22 0.56 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.60 0.46 0.00 0.00 133 K 9.10 4.19 0.00 1.77 1.84 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.36 7.81 134 R 7.58 5.66 0.00 1.77 1.67 0.00 2.90 0.00 0.00 3.18 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.54 0.00 135 N 8.87 4.86 0.00 2.33 2.58 0.00 0.00 6.97 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 0.00 136 R 8.14 4.55 0.00 1.19 0.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.63 0.00 137 E 8.99 4.98 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 138 F 9.48 5.07 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 *140 N 8.62 4.64 0.00 2.77 2.99 0.00 0.00 6.77 7.71 0.00 0.00 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 V 8.11 3.64 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 0.97 0.00 0.00 0.91 0.00 0.00 142 F 7.95 4.51 0.00 3.31 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 0.00 143 Q 8.35 4.16 0.00 2.51 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 144 Q 8.20 3.62 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.05 1.61 0.00 145 L 7.80 3.92 0.00 2.05 1.93 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 146 R 8.29 3.93 0.00 2.13 2.06 0.00 3.36 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 147 A 8.13 4.24 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 0.00 148 L 7.28 4.29 0.00 1.33 1.12 0.25 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.61 3.81 0.00 4.12 3.99 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 0.00 0.00 0.00 150 I 7.73 4.26 1.98 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 1.44 0.66 0.97 0.00 0.00 151 P 0.00 4.28 0.00 2.06 2.01 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 152 V 8.13 4.19 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 0.42 0.00 0.00 1.03 0.00 0.00 153 P 0.00 4.32 0.00 2.21 2.05 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 154 Q 8.34 4.29 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 155 I 8.09 4.13 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.94 0.00 0.00 156 K 8.58 4.26 0.00 2.00 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.02 7.81 157 R 8.29 4.47 0.00 1.84 1.85 0.00 3.14 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 158 E 8.07 4.11 0.00 1.98 1.76 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 2.23 1.88 0.00 159 G 8.95 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 0.00 160 I 7.43 3.64 1.95 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 1.30 0.86 0.97 0.00 0.00 161 P 0.00 4.58 0.00 2.08 1.96 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 162 T 8.19 4.21 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 * Residues marked with a * may have inaccurate shift predictions.