NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1621 8.0249 120.7873 60.8234 39.1816 174.6860 3 Q 4.5300 8.4511 124.9571 52.2948 32.2737 173.2433 4 S 4.9542 9.1465 116.1130 56.7034 67.1411 173.1353 5 Q 4.5919 8.7983 121.4803 54.8737 30.0772 175.8578 6 I 4.4716 8.0918 109.9830 60.0189 39.0754 174.5990 7 N 4.8518 7.8497 120.3067 51.2131 40.3554 174.6751 8 R 3.9568 8.5615 124.1066 59.2516 29.3445 178.2621 9 N 4.3224 8.5617 117.3594 55.9374 38.3792 177.2364 10 I 3.6835 7.4662 121.6671 64.6788 37.1942 178.6926 11 R 4.0121 7.8927 118.1713 59.0399 30.0423 178.9886 12 L 4.0084 8.2008 119.2000 57.6875 41.5687 179.1770 13 D 4.3481 8.4680 119.3862 57.1805 40.7044 178.4273 14 L 3.9170 7.9923 120.6481 58.1234 42.0010 178.7130 15 A 4.1298 8.3011 120.9497 55.5641 18.2810 179.3888 16 D 4.2885 8.1291 116.8163 57.4037 40.7943 178.9232 17 A 4.0044 8.0880 121.3866 55.0644 18.3199 179.6351 18 I 3.6369 8.1557 118.7814 64.7310 37.2484 178.7221 19 L 4.0511 8.1957 119.8116 57.4798 41.2864 179.4200 20 L 3.9373 7.9322 120.5303 58.0073 42.0756 178.7988 21 S 4.0290 8.2114 113.2741 61.3375 62.3471 175.8446 22 K 3.7451 8.3502 122.3876 59.7009 31.9550 178.5204 23 A 3.9747 8.0824 120.7685 55.0257 18.0677 179.7153 24 K 3.9293 8.1392 116.4810 59.3154 32.2259 178.9729 25 K 4.1284 7.9912 116.2598 55.7754 32.8281 176.0029 26 D 4.2878 7.5822 117.5459 55.1112 39.9646 173.0553 27 L 4.6940 7.6675 116.8886 53.5694 43.8428 177.2247 28 S 4.6776 8.4302 115.6177 56.7167 66.5635 175.4556 29 F 4.2063 8.3582 121.1340 60.6816 38.6853 177.8186 30 A 4.1121 8.1376 120.3538 55.0530 18.0278 179.2842 31 E 4.0336 8.3124 115.5293 59.3784 29.8921 179.0427 32 I 3.8225 7.7087 120.0308 64.1238 37.4526 177.7648 33 A 4.2418 8.2208 121.1447 53.0488 18.4707 177.0847 34 D 4.4834 7.3037 117.5406 56.0645 41.5687 176.7180 35 G 4.0372 9.0899 114.9956 45.5025 0.0000 174.0442 36 T 4.0762 7.7138 108.7083 61.8813 69.3879 176.2916 37 G 3.9382 8.3397 108.9407 45.3634 0.0000 172.8651 38 L 4.7197 7.5354 118.5015 52.1166 44.5471 176.9305 39 A 4.2008 8.3118 123.2877 51.9655 20.3147 178.7860 40 E 3.9607 8.9032 121.2005 59.6776 29.5393 179.6398 41 A 3.9262 7.9618 121.1600 54.6607 18.5039 179.3023 42 F 3.8609 8.1270 118.7923 61.4554 39.6595 177.4753 43 V 3.6254 8.0721 117.9344 66.1912 31.3470 178.0209 44 T 3.7657 8.0548 115.2894 66.6525 68.2404 176.3100 45 A 3.8376 7.7985 122.3018 55.0395 18.2709 179.5356 46 A 4.2213 7.5902 120.3999 54.8459 18.2445 179.7270 47 L 3.9804 7.7711 116.2494 57.7099 41.7296 178.8291 48 L 4.4942 7.5720 116.2557 54.4617 41.7166 177.5565 49 G 3.9395 8.2123 107.3013 45.5022 0.0000 174.3324 50 Q 4.5114 8.1725 116.4151 55.4524 29.8127 174.6587 51 Q 4.6134 7.4443 116.1706 54.4021 33.9090 172.9483 52 A 5.0039 8.4787 121.4854 50.3927 21.1714 176.3223 53 L 4.6863 8.7995 122.1731 52.8660 43.7997 175.2772 54 P 4.4454 0.0000 0.0000 62.3821 32.3396 177.3679 55 A 4.0334 8.6671 122.0357 55.6152 18.2575 179.9820 56 D 4.2926 8.0935 116.6356 57.5079 40.9095 178.7457 57 A 4.0437 8.0201 120.6142 54.9246 18.4117 179.3706 58 A 3.9693 8.1957 119.4631 55.4759 18.4815 180.1511 59 R 3.9085 8.2336 116.6497 59.1177 30.0472 179.3088 60 L 3.9928 8.0466 118.8503 58.0890 41.7438 180.0743 61 V 3.8608 8.3067 112.6227 63.9813 31.3616 178.9602 62 G 3.6081 8.3645 105.8147 47.5747 0.0000 175.7146 63 A 4.0002 8.1761 123.1250 54.9448 18.1884 179.8931 64 K 3.9557 7.7517 115.6533 58.9950 32.2206 178.6211 65 L 4.3650 7.8257 115.9916 53.2006 42.7423 175.7542 66 D 4.3315 7.5508 117.8096 55.1015 40.0430 173.4935 67 L 4.3044 7.9481 117.7927 54.2188 43.0935 177.9100 68 D 4.7311 8.2485 121.8304 52.6705 42.1861 177.3602 69 E 4.0114 8.5227 118.3272 59.5188 29.3428 179.1635 70 D 4.3947 8.0847 118.5666 57.4715 40.9339 178.9732 71 S 4.1080 8.6958 115.8578 61.6854 62.6649 176.6554 72 I 3.7106 7.5788 121.2326 64.3610 37.2048 177.9340 73 L 4.2549 8.0234 121.1066 58.1824 41.7136 179.0090 74 L 4.0380 7.9399 118.0765 57.7693 41.7600 179.2704 75 L 4.1634 8.0090 118.5449 56.6086 42.5798 177.3400 76 Q 4.7093 7.3082 119.3906 53.7734 27.4454 175.0206 *78 I 4.0818 7.2990 119.2921 60.4827 39.2580 175.0222 79 P 4.7207 0.0000 0.0000 62.0576 33.0580 176.0667 80 L 4.3335 8.2934 123.0595 54.1041 41.4951 176.4551 81 R 4.1812 8.3300 124.9848 55.6593 30.9370 175.1166 82 G 3.0061 8.1934 107.4957 44.9147 0.0000 173.3662 83 C 4.3242 8.1354 122.2224 58.3583 30.6860 174.2243 84 I 4.1096 7.4221 122.0600 60.3314 37.7502 175.0240 85 D 4.4735 8.8467 125.3918 57.1010 41.3817 176.6337 86 D 4.6113 7.3070 116.8875 53.4709 41.6512 174.0235 87 R 4.0769 8.3053 126.3414 56.7195 29.3246 176.6979 88 I 4.0340 7.2010 116.0522 58.2759 38.8505 173.9690 89 P 4.3881 0.0000 0.0000 63.1399 31.7440 176.4125 90 T 4.2162 8.3182 111.2012 62.9824 69.8080 174.9131 91 D 4.5353 7.9664 121.8705 53.1096 42.2515 173.9838 92 P 4.5028 0.0000 0.0000 66.2689 31.5433 178.7416 93 T 4.0655 7.6464 110.1824 64.7440 67.9433 174.4272 *95 Y 4.6444 7.9179 125.1830 57.7084 40.4145 177.3089 96 R 4.0907 7.9540 117.3726 59.2742 30.0364 178.7445 97 F 4.1600 8.0137 116.5202 60.4777 39.2869 176.5327 98 Y 4.1230 7.9094 118.8161 60.2098 38.8991 178.4544 99 E 4.1567 8.0571 122.5970 55.6541 29.1942 178.4939 *101 L 4.2178 7.9088 119.1057 54.7051 43.9194 179.6751 102 Q 3.7961 7.5710 116.5297 58.4490 28.5015 178.6212 103 V 3.6818 7.6390 118.3904 65.0705 32.1568 176.8347 104 Y 4.6932 7.5310 113.2799 57.5634 38.4650 177.6281 105 G 3.6289 8.2205 109.2265 48.1791 0.0000 176.2281 106 T 3.9888 7.8409 112.0311 64.4794 68.8162 176.7276 107 T 3.8926 7.9182 118.2419 66.5204 68.4941 176.3014 108 L 3.9921 8.4464 121.2929 57.5509 41.6005 179.3472 109 K 3.7630 8.1832 119.2974 59.5781 32.1449 178.6231 110 A 4.0295 8.2486 121.0926 55.2934 18.2468 179.6348 111 L 4.0296 8.3320 117.8166 57.5819 41.6447 179.7770 112 V 3.8117 8.1545 118.7406 66.4820 31.3464 177.8935 113 H 4.9925 8.3090 117.3616 58.3791 28.3028 177.4464 114 E 3.9463 8.1811 120.3174 59.2391 29.5694 178.6822 115 K 3.9486 8.1779 117.5494 58.1009 32.2457 177.5090 116 F 4.0522 8.8530 115.5288 59.8542 40.8480 175.0755 117 G 3.9556 7.2313 105.2363 43.4480 0.0000 172.3242 118 D 4.6410 8.6207 118.9818 54.9972 42.3054 174.9957 119 G 4.3331 8.1762 109.4757 45.0419 0.0000 172.5976 120 I 4.8039 8.4719 114.3697 59.2941 41.8719 174.6356 121 I 4.5739 8.1198 123.5702 59.8981 37.9555 175.9826 122 S 4.1926 9.0825 123.0946 58.2460 62.8912 173.6452 123 A 4.0444 8.4164 127.5554 51.8521 19.2538 176.8414 124 I 4.3144 8.0452 117.9013 63.7506 39.2130 176.6206 125 N 4.7757 7.7980 122.4124 51.8401 37.8934 172.1652 126 F 5.3109 7.9923 122.1612 56.6340 42.7414 172.4618 127 K 4.6137 8.0308 124.0731 55.1565 36.3273 174.7904 128 L 5.6046 8.2719 119.7795 53.5801 43.8326 174.7734 129 D 4.8148 8.3845 117.8768 52.0540 43.3044 173.7918 130 V 4.7930 8.3380 119.1377 61.1432 33.8054 174.6971 131 K 4.7191 9.0642 127.0015 54.4202 35.7053 174.8689 132 K 4.8944 8.6233 125.0365 55.1957 33.5491 175.6640 133 V 4.5638 8.6893 126.7204 60.4932 34.9055 174.4667 134 A 4.2824 8.7614 129.0024 52.3743 19.1465 176.4541 135 D 4.4901 8.8756 122.4482 52.9187 41.7530 175.5812 136 P 4.3938 0.0000 0.0000 65.5325 31.4513 177.0694 137 E 4.1472 8.6416 116.1292 56.0235 29.7556 176.3401 138 G 4.0121 8.8047 108.6150 45.4811 0.0000 175.4852 139 G 3.8372 9.2473 109.7051 44.0013 0.0000 171.5748 140 E 5.1715 8.3451 116.5726 54.6841 33.4861 175.5423 141 R 4.8353 9.4300 120.4111 54.3963 34.3222 174.2289 142 A 5.0905 8.5603 122.6016 50.3453 21.4040 176.4741 143 V 4.1942 8.8550 122.7952 61.4236 33.4597 174.4581 144 I 4.8022 8.3951 129.4937 60.0882 38.8626 175.3628 145 T 4.5000 8.7424 124.9026 61.9197 70.3997 173.7256 146 L 4.6472 8.5665 126.9503 53.2159 43.4497 175.7701 147 D 4.6965 8.5638 124.6557 52.3021 43.2164 174.3833 148 G 4.6481 8.4838 111.9745 43.7736 0.0000 170.6468 149 K 4.3251 8.9272 124.7312 56.0652 33.5443 175.3914 150 Y 4.7166 8.6286 128.8402 57.5583 39.6623 174.3186 151 L 4.4945 8.5116 127.0743 52.0542 44.3586 174.2173 152 P 4.5639 0.0000 0.0000 62.6129 32.9054 175.7485 153 T 4.5208 8.5807 118.9948 62.2691 69.8175 174.1749 154 K 4.7742 8.5154 125.4945 53.4323 35.3676 174.5394 155 P 4.3992 0.0000 0.0000 63.0888 31.9552 176.5938 156 F 4.5232 7.6848 113.9435 57.3507 37.7713 174.3184 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 I 8.02 4.16 1.88 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.45 4.53 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.15 4.95 0.00 3.91 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 5 Q 8.80 4.59 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 I 8.09 4.47 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 1.30 0.66 0.91 0.00 0.00 7 N 7.85 4.85 0.00 2.76 2.69 0.00 0.00 6.92 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 8 R 8.56 3.96 0.00 2.06 2.29 0.00 3.12 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.56 4.32 0.00 2.89 2.91 0.00 0.00 6.84 6.56 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 10 I 7.47 3.68 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 1.52 0.88 0.91 0.00 0.00 11 R 7.89 4.01 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.49 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.20 4.01 0.00 1.68 1.71 0.91 0.95 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 13 D 8.47 4.35 0.00 2.89 2.71 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 0.00 0.00 0.00 14 L 7.99 3.92 0.00 1.77 1.84 0.92 1.27 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 15 A 8.30 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.29 0.00 2.87 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 17 A 8.09 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.16 3.64 2.13 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 1.53 0.74 0.95 0.00 0.00 19 L 8.20 4.05 0.00 1.84 1.75 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.93 3.94 0.00 1.78 1.80 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.21 4.03 0.00 3.91 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 22 K 8.35 3.75 0.00 1.78 1.91 0.00 1.13 0.00 0.00 1.18 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.22 7.81 23 A 8.08 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.14 3.93 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.62 7.81 25 K 7.99 4.13 0.00 1.77 1.82 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.50 7.81 26 D 7.58 4.29 0.00 2.78 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 27 L 7.67 4.69 0.00 1.55 1.47 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.43 4.68 0.00 4.04 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 29 F 8.36 4.21 0.00 3.15 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 30 A 8.14 4.11 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 31 E 8.31 4.03 0.00 2.13 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 2.54 2.32 0.00 32 I 7.71 3.82 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.57 0.96 0.00 0.00 33 A 8.22 4.24 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.30 4.48 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 9.09 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 0.00 0.00 0.00 36 T 7.71 4.08 4.28 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 1.29 0.00 0.00 37 G 8.34 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.54 4.72 0.00 1.72 1.64 1.03 0.44 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 39 A 8.31 4.20 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 40 E 8.90 3.96 0.00 2.26 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 0.00 2.38 2.39 0.00 41 A 7.96 3.93 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 42 F 8.13 3.86 0.00 3.20 3.22 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 0.00 43 V 8.07 3.63 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 1.05 0.00 0.00 1.08 0.00 0.00 44 T 8.05 3.77 4.05 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 0.42 0.00 0.00 45 A 7.80 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.59 4.22 1.20 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 0.00 0.00 47 L 7.77 3.98 0.00 1.85 1.85 1.15 0.91 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 48 L 7.57 4.49 0.00 1.65 1.63 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.21 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.17 4.51 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.44 4.61 0.00 1.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.00 1.35 0.00 52 A 8.48 5.00 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 53 L 8.80 4.69 0.00 1.63 1.65 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.45 0.00 2.20 1.99 0.00 3.71 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 55 A 8.67 4.03 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 D 8.09 4.29 0.00 2.71 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 57 A 8.02 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.20 3.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.23 3.91 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 60 L 8.05 3.99 0.00 1.86 1.73 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.31 3.86 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 0.97 0.00 0.00 1.01 0.00 0.00 62 G 8.36 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 0.00 0.00 0.00 63 A 8.18 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.75 3.96 0.00 1.83 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.74 7.81 65 L 7.83 4.36 0.00 1.73 1.68 0.93 0.82 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 66 D 7.55 4.33 0.00 2.68 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 67 L 7.95 4.30 0.00 1.67 1.58 0.93 1.20 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 68 D 8.25 4.73 0.00 2.94 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 69 E 8.52 4.01 0.00 2.00 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 2.40 2.34 0.00 70 D 8.08 4.39 0.00 2.76 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 71 S 8.70 4.11 0.00 4.06 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 72 I 7.58 3.71 2.00 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 1.41 0.57 0.92 0.00 0.00 73 L 8.02 4.25 0.00 1.87 1.85 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.94 4.04 0.00 1.84 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.01 4.16 0.00 1.88 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.31 4.71 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.40 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 *78 I 7.30 4.08 1.88 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 1.42 0.68 0.92 0.00 0.00 79 P 0.00 4.72 0.00 2.11 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 80 L 8.29 4.33 0.00 1.81 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.33 4.18 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 82 G 8.19 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 0.00 0.00 0.00 83 C 8.14 4.32 0.00 3.05 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 84 I 7.42 4.11 1.85 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 1.29 0.54 0.90 0.00 0.00 85 D 8.85 4.47 0.00 2.61 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 86 D 7.31 4.61 0.00 2.58 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 87 R 8.31 4.08 0.00 1.97 2.02 0.00 3.22 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 88 I 7.20 4.03 1.74 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 1.30 0.70 0.58 0.00 0.00 89 P 0.00 4.39 0.00 2.18 2.05 0.00 3.39 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 90 T 8.32 4.22 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 1.19 0.00 0.00 91 D 7.97 4.54 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 92 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.65 4.07 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 *95 Y 7.92 4.64 0.00 3.24 3.23 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 0.00 96 R 7.95 4.09 0.00 1.56 1.74 0.00 3.40 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 97 F 8.01 4.16 0.00 3.06 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 98 Y 7.91 4.12 0.00 2.93 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 99 E 8.06 4.16 0.00 1.93 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 2.29 2.37 0.00 *101 L 7.91 4.22 0.00 1.58 1.58 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.57 3.80 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 1.69 2.37 0.00 103 V 7.64 3.68 1.87 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 0.12 0.00 0.00 0.82 0.00 0.00 104 Y 7.53 4.69 0.00 3.03 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 0.00 105 G 8.22 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 0.00 0.00 0.00 0.00 106 T 7.84 3.99 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 1.20 0.00 0.00 107 T 7.92 3.89 4.62 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 1.34 0.00 0.00 108 L 8.45 3.99 0.00 1.84 1.73 0.95 0.77 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 0.00 109 K 8.18 3.76 0.00 1.82 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.46 7.81 110 A 8.25 4.03 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 0.00 111 L 8.33 4.03 0.00 1.78 1.75 0.94 0.95 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 0.00 112 V 8.15 3.81 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 1.08 0.00 0.00 0.95 0.00 0.00 113 H 8.31 4.99 0.00 3.26 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.18 3.95 0.00 2.04 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 2.29 2.33 0.00 115 K 8.18 3.95 0.00 1.57 1.21 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.53 7.81 116 F 8.85 4.05 0.00 2.53 1.45 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 0.00 117 G 7.23 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 0.00 118 D 8.62 4.64 0.00 2.72 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 0.00 119 G 8.18 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 0.00 120 I 8.47 4.80 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.92 0.00 0.00 121 I 8.12 4.57 1.82 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.94 0.00 0.00 122 S 9.08 4.19 0.00 3.89 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 0.00 123 A 8.42 4.04 0.99 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 0.00 0.00 124 I 8.05 4.31 1.88 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 1.16 0.97 0.93 0.00 0.00 125 N 7.80 4.78 0.00 2.79 2.75 0.00 0.00 6.56 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 0.00 126 F 7.99 5.31 0.00 3.15 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 0.00 127 K 8.03 4.61 0.00 1.64 1.66 0.00 1.22 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.14 7.81 128 L 8.27 5.60 0.00 1.73 1.45 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.38 4.81 0.00 2.66 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 0.00 130 V 8.34 4.79 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.06 4.72 0.00 1.71 1.65 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.55 7.81 132 K 8.62 4.89 0.00 1.78 1.72 0.00 1.90 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.44 7.81 133 V 8.69 4.56 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 0.91 0.00 0.00 0.94 0.00 0.00 134 A 8.76 4.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.88 4.49 0.00 2.70 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 0.00 136 P 0.00 4.39 0.00 2.08 2.11 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 137 E 8.64 4.15 0.00 2.02 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 2.34 2.25 0.00 138 G 8.80 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 0.00 0.00 0.00 139 G 9.25 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 0.00 140 E 8.35 5.17 0.00 1.82 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 2.21 2.31 0.00 141 R 9.43 4.84 0.00 1.68 1.78 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.56 5.09 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 0.00 143 V 8.86 4.19 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.40 4.80 2.02 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 0.96 0.00 0.00 145 T 8.74 4.50 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 1.18 0.00 0.00 146 L 8.57 4.65 0.00 1.64 1.96 1.02 1.18 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 0.00 147 D 8.56 4.70 0.00 2.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.48 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 8.93 4.33 0.00 1.92 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 150 Y 8.63 4.72 0.00 2.46 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 0.00 151 L 8.51 4.49 0.00 1.44 1.38 0.87 1.00 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 0.00 152 P 0.00 4.56 0.00 2.04 1.97 0.00 3.48 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 153 T 8.58 4.52 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 1.31 0.00 0.00 154 K 8.52 4.77 0.00 1.76 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 155 P 0.00 4.40 0.00 2.01 1.92 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 156 F 7.68 4.52 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.