NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5629 8.2993 120.0955 56.1413 34.4945 175.3316 3 T 4.8919 8.0193 108.7270 58.9024 72.1746 172.1412 4 F 4.9134 10.2919 127.4784 56.6296 42.4839 175.1038 5 I 4.8081 7.9948 126.5194 59.6559 39.6475 174.2922 6 I 4.9089 9.2380 128.6121 59.4841 39.9321 174.7884 7 G 3.9097 9.3399 114.5697 44.5094 0.0000 172.7474 8 I 5.2627 8.5822 124.2341 59.9031 40.8717 173.9768 9 S 5.7569 9.3463 123.0076 55.5504 66.2914 172.3191 10 G 3.8422 8.8510 105.7217 42.3698 0.0000 173.1364 11 V 4.0079 7.6965 120.0932 61.2268 31.7912 175.6371 12 T 3.9499 8.3817 115.2112 63.9047 67.5041 173.1834 13 N 4.3324 8.9127 122.8618 54.3064 36.1259 175.5853 14 S 4.2156 7.8034 114.0713 59.3559 63.6377 174.8970 15 G 4.2607 8.3939 110.9273 45.7843 0.0000 175.9187 16 K 3.9460 8.4930 121.2648 59.5476 32.0836 179.0830 17 T 3.8821 7.9242 115.4389 67.1238 68.3580 176.6264 18 T 3.8756 7.8316 117.0442 66.4462 68.5243 176.4259 19 L 3.9954 8.0368 122.1729 57.8520 42.1022 178.7239 20 A 4.0430 8.2182 120.9132 55.2342 18.3803 179.7382 21 K 3.8990 8.1261 116.8542 59.5997 31.9776 179.3160 22 N 4.0548 7.8688 116.2035 56.3079 38.4656 177.3827 23 L 4.3565 8.0931 120.2478 57.9091 41.5134 179.1386 24 Q 4.0171 8.0302 118.4307 59.5104 29.0068 178.6637 25 K 4.0547 7.9284 117.6649 59.1364 32.1509 178.1135 26 H 4.7884 7.7415 113.0332 54.5023 29.4373 174.5066 27 L 4.8947 7.5135 122.1195 52.1914 43.3449 174.3414 28 P 4.4852 0.0000 0.0000 63.2276 32.6731 175.4068 29 N 4.1994 8.8419 119.4240 55.2493 37.0025 172.5900 30 C 5.4129 8.2490 116.5180 57.7520 33.9519 173.1431 31 S 5.0223 9.6330 122.4053 56.7911 66.3554 173.1180 32 V 4.9221 8.1997 120.1195 61.3424 34.3760 174.4801 33 I 4.6513 8.7653 128.0614 59.6364 40.5611 174.4103 34 S 5.2941 8.6204 122.6240 55.9237 64.5073 174.9248 35 Q 4.0826 9.3531 127.3535 59.3721 28.9370 178.4441 36 D 4.7307 8.1818 115.9855 56.7962 41.0137 176.7561 37 D 4.5329 8.1614 117.6841 55.7279 41.1002 176.6337 38 F 4.7493 8.0834 118.2817 57.1649 40.1867 175.5013 39 F 4.9190 8.3286 117.2468 57.2176 39.5666 175.8387 40 K 4.5108 9.0898 122.4132 55.2975 32.9363 175.5007 41 P 4.4735 0.0000 0.0000 62.5337 32.2756 176.7534 42 E 4.0104 9.0655 120.6588 59.6376 29.4558 179.2298 43 S 4.3168 8.0827 111.1693 60.1580 63.2333 174.3179 44 E 4.4500 8.3723 119.5785 56.6425 30.3039 176.2968 45 I 3.9718 7.2075 119.4303 61.0856 37.7780 175.3304 46 E 4.8879 8.6175 123.9869 54.8491 32.8270 174.6956 47 T 5.0900 8.2627 111.5777 60.1151 71.4247 174.0063 48 D 4.7508 9.2096 125.0367 52.0901 41.2791 176.8974 49 K 3.8207 8.8501 117.9846 60.2263 31.7912 177.7722 50 N 4.5128 8.2531 112.0794 53.0905 38.2084 175.0792 51 G 3.7410 8.1599 106.2531 46.7455 0.0000 173.8176 52 F 5.3293 8.5700 118.8591 55.0822 40.7185 175.7772 53 L 4.6273 8.8313 126.0492 55.0625 42.1413 178.0269 54 Q 4.3760 9.8042 123.7718 55.1130 27.0955 174.7546 55 Y 4.7076 8.3829 116.3625 58.6439 39.5160 176.1005 56 D 5.4936 8.4175 119.1767 54.5670 41.8933 176.3198 57 V 4.6553 7.6602 110.2002 59.2627 36.1711 177.1378 58 L 4.0047 8.4224 121.2271 57.8663 41.6414 179.4349 59 E 4.0800 8.2459 116.4070 58.3561 29.6110 177.1256 60 A 4.5913 8.0651 121.0070 51.7962 19.2722 176.3807 61 L 5.1781 7.5919 115.8390 53.0302 44.7281 176.2805 62 N 4.6350 9.3585 120.6520 52.6820 39.4886 176.1333 *64 E 4.3492 8.5059 118.2610 56.3128 32.1701 177.1855 65 K 4.2805 7.3603 119.8092 55.7890 30.2146 176.9913 *68 S 4.3364 7.8885 115.8439 58.0404 64.9831 175.5915 69 A 4.1599 7.9128 121.9081 55.0488 17.7892 179.7338 70 I 3.7929 7.5500 117.2961 64.5191 37.3523 178.2674 71 S 4.3146 7.9876 114.6711 61.6864 62.9506 175.8990 72 C 4.3171 8.1644 119.3983 62.6582 27.9272 176.6549 73 W 4.2937 7.9472 125.6205 58.5302 30.1242 176.9472 *75 E 4.2091 8.1507 117.7481 55.8635 30.7960 177.8089 76 S 4.2692 8.0746 112.5558 59.9948 63.7036 175.3031 77 A 3.6430 7.5432 124.9783 55.0635 18.0336 179.7083 78 R 4.0615 7.0743 108.7883 57.4821 29.4724 176.7059 79 H 4.7622 7.8933 115.6662 54.9838 29.8430 173.6609 *92 I 3.9628 7.7822 118.9289 60.0722 38.9271 173.4076 93 P 4.8029 0.0000 0.0000 63.1666 32.5661 175.3529 94 I 5.2611 9.6961 124.6079 59.4696 40.9007 174.1294 95 L 4.6026 8.8157 128.3684 53.1079 44.7193 174.8332 96 I 4.8371 8.7939 127.8902 59.8712 39.4509 174.7329 97 I 4.8677 9.0344 129.6299 59.7275 39.0273 174.3584 98 E 5.1471 8.5503 126.3247 54.4909 32.0993 175.4594 99 G 4.3491 8.2960 107.5909 45.9955 0.0000 174.2614 100 F 5.0238 9.5215 115.5798 57.5870 38.5756 176.1409 101 L 3.4378 7.2669 122.7361 52.8764 42.2493 174.1862 102 L 4.6118 8.4637 121.8211 55.6222 44.2284 178.3336 103 F 5.6468 8.0970 114.3652 57.9665 38.5927 175.3538 104 N 5.1010 8.5255 115.3766 52.5692 38.2143 174.0034 105 Y 4.5035 7.9430 122.0254 55.6742 38.1046 175.7357 106 K 4.2048 8.2770 126.0928 58.4290 32.3960 177.4859 107 P 4.1173 0.0000 0.0000 64.7528 31.4917 177.2218 108 L 3.8120 7.9395 117.9971 56.2203 42.2501 178.4535 109 D 3.4837 7.5794 119.2961 57.2935 40.7835 178.2698 110 T 4.3018 7.3219 106.1599 61.4664 69.0043 175.2119 111 I 4.1686 7.1123 123.7930 61.9970 39.6137 176.6272 112 W 4.5670 7.2062 118.8080 57.3136 29.2999 175.1735 113 N 4.7876 8.7107 118.2268 53.7177 40.8402 175.1972 114 R 4.5173 7.5238 117.8798 55.0420 34.0249 173.8066 115 S 4.8775 8.2948 121.2813 56.7634 66.5798 172.3736 116 Y 5.1394 9.1969 121.9471 56.0351 41.6138 174.3775 117 F 5.2071 8.9552 125.3249 56.4146 42.2564 173.6160 118 L 4.8502 8.2002 127.0029 54.3537 42.6909 176.4427 119 T 4.8542 8.9684 120.4212 61.8178 71.5117 173.1573 120 I 4.9683 8.3019 124.8238 58.5264 41.4037 173.0265 121 P 4.6084 0.0000 0.0000 62.6579 32.2796 176.7086 122 Y 3.2307 8.6578 120.1718 60.7813 38.5683 178.2352 123 E 3.6524 8.0357 119.0103 59.0894 29.5789 178.8107 124 E 3.7866 7.9077 118.8635 59.2817 29.8538 178.0047 125 C 3.9682 7.8604 118.7271 62.5943 31.4945 175.6088 126 K 2.4800 7.3565 120.8663 58.5773 31.2477 178.8913 127 R 3.6988 7.0611 117.9108 59.4131 30.4026 178.2645 128 R 3.9858 8.0706 118.2527 59.2665 30.0600 178.9003 129 R 4.1330 7.9782 118.6970 59.5140 29.8554 178.2930 130 S 4.3702 7.5279 111.9999 60.0895 63.2436 175.2472 131 T 4.3027 7.5188 112.4708 60.8899 69.2946 174.0740 132 R 4.2875 7.2797 122.1007 54.4216 32.1095 174.7910 133 V 3.9849 8.0876 125.1102 61.8561 31.7952 175.0481 134 Y 4.2092 8.3478 125.3433 56.8367 39.4797 174.9211 135 Q 4.2951 8.0883 121.3047 53.9066 30.7038 172.4411 136 P 4.3831 0.0000 0.0000 61.7856 32.0624 174.6842 137 P 4.4276 0.0000 0.0000 62.1956 31.8865 176.1390 138 D 3.9490 8.5930 121.5119 54.5129 41.1023 177.0417 139 S 4.4171 8.1542 118.8241 56.8823 64.0162 171.6381 140 P 4.4957 0.0000 0.0000 63.9762 31.3450 176.8459 141 G 4.1148 9.1847 110.7840 47.1268 0.0000 174.8670 142 Y 3.7713 8.3739 122.8930 60.1744 38.6776 177.1921 143 F 3.9550 8.4201 121.1335 61.8294 39.2251 176.8228 144 D 4.4544 8.2682 116.4889 57.0721 40.8835 178.4460 145 G 3.6134 8.0127 105.1242 46.5592 0.0000 173.4844 146 H 4.3873 7.6653 118.1832 57.6099 32.7121 174.4370 147 V 3.6252 7.1382 116.8612 65.7680 31.7569 176.8211 148 W 4.2015 8.4164 129.6508 60.1140 30.7735 176.9427 149 P 4.1916 0.0000 0.0000 63.6386 31.0555 177.3155 *151 Y 4.6784 8.0415 120.6706 57.7274 40.5499 177.0349 152 L 3.5180 7.4404 119.4805 57.6266 41.4241 179.5626 153 K 3.9318 7.9418 119.3673 59.1989 31.8218 178.3497 154 Y 4.3542 7.5440 118.9615 60.6315 38.9799 177.1082 155 R 3.4388 7.6361 118.3012 58.9641 30.0605 178.4749 156 Q 3.9805 7.4628 118.2601 58.4516 29.7532 177.7252 157 E 4.1727 7.4706 120.4913 56.2096 28.3243 177.7240 *159 Q 4.1761 7.9258 117.5512 55.7886 31.0900 176.7863 160 D 4.4341 7.8692 115.8056 55.4326 41.4255 176.7196 161 I 3.2104 7.4570 119.6153 62.1471 37.1889 175.5825 162 T 4.1349 8.4339 115.1854 62.7136 69.6861 174.9745 163 W 4.5535 7.8327 118.1984 55.1771 30.1350 174.0931 164 E 4.2508 8.7758 119.1473 54.7468 29.7909 174.8797 165 V 4.0062 7.7997 126.2377 60.8976 33.6370 175.0212 166 V 4.0067 8.3757 129.0256 62.0445 32.1343 174.4468 167 Y 4.9113 8.7200 126.6051 57.9061 38.6291 175.2872 168 L 4.8775 9.4497 123.8614 53.0160 45.6539 175.4994 169 D 4.9322 8.6839 122.0711 52.9536 41.4156 177.1520 170 G 3.8605 9.3568 116.5411 47.3420 0.0000 173.2624 171 T 4.1130 7.7750 109.5125 63.1243 69.3528 175.1012 172 K 4.1598 7.5621 121.5120 55.8856 32.9638 176.7587 173 S 4.2981 8.3089 113.2295 58.5121 64.0629 174.2661 174 E 4.0039 8.6660 127.0582 59.1276 29.4703 178.7261 175 E 4.2632 8.1142 116.9029 58.8715 30.1349 178.4390 176 D 4.3867 7.9551 119.8122 56.9612 40.8990 178.4918 177 L 3.9687 7.9424 119.5358 57.6305 41.6899 178.9225 178 F 4.1585 7.9659 120.4213 61.5928 39.2929 177.2140 179 L 3.6580 8.2241 118.6482 57.5474 40.8469 179.3359 180 Q 4.0584 7.9514 119.4275 59.2681 29.0607 178.5888 181 V 3.3784 7.8010 119.3737 65.8324 31.2600 177.2553 182 Y 4.1033 8.0189 118.6709 60.9526 38.8084 177.5778 183 E 3.8435 8.2049 119.3442 59.3245 29.4318 178.4810 184 D 4.4121 7.8567 116.5090 57.9471 41.1931 179.0912 185 L 4.0662 8.1696 118.6111 57.1887 41.4868 178.9624 186 I 3.9057 7.8213 119.7270 62.7940 37.4200 177.0873 187 Q 4.2391 7.7365 115.8064 56.6941 27.9981 176.4722 188 E 4.5556 7.7972 120.4872 57.3955 31.1766 177.9266 189 L 4.0437 7.3454 117.6790 56.6957 41.9278 178.7598 190 A 4.1581 8.1049 121.6900 54.9166 18.1310 179.8700 191 K 4.5068 7.2948 115.1686 57.0895 31.9960 177.4028 192 Q 4.2530 8.1165 124.2361 56.1335 29.1077 175.6522 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 K 8.30 4.56 0.00 1.66 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 T 8.02 4.89 4.72 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 1.15 0.00 0.00 4 F 10.29 4.91 0.00 3.13 3.06 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 5 I 7.99 4.81 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.81 0.86 0.00 0.00 6 I 9.24 4.91 2.05 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 1.22 0.00 0.00 7 G 9.34 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 8 I 8.58 5.26 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.97 0.00 0.00 9 S 9.35 5.76 0.00 3.18 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.85 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 11 V 7.70 4.01 0.79 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 0.65 0.00 0.00 0.71 0.00 0.00 12 T 8.38 3.95 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 1.35 0.00 0.00 13 N 8.91 4.33 0.00 2.93 2.90 0.00 0.00 7.02 7.57 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 14 S 7.80 4.22 0.00 3.92 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 15 G 8.39 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.49 3.95 0.00 1.91 1.90 0.00 1.89 0.00 0.00 1.90 0.00 0.00 3.13 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.52 1.53 7.81 17 T 7.92 3.88 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 1.22 0.00 0.00 18 T 7.83 3.88 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 1.21 0.00 0.00 19 L 8.04 4.00 0.00 1.90 1.82 0.99 0.97 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 20 A 8.22 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.13 3.90 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.61 7.81 22 N 7.87 4.05 0.00 2.74 1.95 0.00 0.00 7.06 7.92 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 23 L 8.09 4.36 0.00 1.82 1.90 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.03 4.02 0.00 2.10 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 25 K 7.93 4.05 0.00 1.61 1.61 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.63 7.81 26 H 7.74 4.79 0.00 3.01 3.35 0.00 5.82 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.51 4.89 0.00 1.87 1.72 1.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.49 0.00 2.23 2.11 0.00 4.00 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 2.03 2.00 0.00 29 N 8.84 4.20 0.00 3.06 2.99 0.00 0.00 6.65 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 30 C 8.25 5.41 0.00 3.15 2.96 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 31 S 9.63 5.02 0.00 3.71 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 32 V 8.20 4.92 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 0.84 0.00 0.00 1.02 0.00 0.00 33 I 8.77 4.65 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.42 1.03 0.00 0.00 34 S 8.62 5.29 0.00 4.04 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 35 Q 9.35 4.08 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 36 D 8.18 4.73 0.00 2.87 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 37 D 8.16 4.53 0.00 2.33 2.38 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 38 F 8.08 4.75 0.00 3.08 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 39 F 8.33 4.92 0.00 3.05 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 40 K 9.09 4.51 0.00 1.71 1.80 0.00 1.82 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.51 7.81 41 P 0.00 4.47 0.00 2.25 2.22 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 42 E 9.07 4.01 0.00 2.08 2.05 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 2.45 2.48 0.00 43 S 8.08 4.32 0.00 4.03 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 44 E 8.37 4.45 0.00 2.13 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 2.28 2.28 0.00 45 I 7.21 3.97 1.74 0.00 0.00 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 1.23 -0.18 0.27 0.00 0.00 46 E 8.62 4.89 0.00 1.90 1.83 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 2.29 2.26 0.00 47 T 8.26 5.09 4.30 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 1.23 0.00 0.00 48 D 9.21 4.75 0.00 2.96 3.08 0.00 0.00 0.00 0.00 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7.89 4.34 0.00 3.90 4.14 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 69 A 7.91 4.16 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 70 I 7.55 3.79 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.43 0.84 0.00 0.00 71 S 7.99 4.31 0.00 4.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.16 4.32 0.00 3.24 3.07 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 73 W 7.95 4.29 0.00 3.50 3.38 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 *75 E 8.15 4.21 0.00 2.23 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 0.00 2.26 2.73 0.00 76 S 8.07 4.27 0.00 3.93 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 77 A 7.54 3.64 0.45 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.15 4.42 0.00 4.10 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 0.00 140 P 0.00 4.50 0.00 2.15 2.12 0.00 3.85 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 2.07 2.14 0.00 141 G 9.18 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 0.00 0.00 0.00 142 Y 8.37 3.77 0.00 3.33 3.06 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 0.00 143 F 8.42 3.95 0.00 3.19 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 0.00 144 D 8.27 4.45 0.00 2.81 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 0.00 145 G 8.01 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 0.00 146 H 7.67 4.39 0.00 2.01 2.03 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.14 3.63 1.78 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 0.83 0.00 0.00 0.73 0.00 0.00 148 W 8.42 4.20 0.00 2.81 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 0.00 149 P 0.00 4.19 0.00 2.11 2.02 0.00 3.49 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 *151 Y 8.04 4.68 0.00 2.91 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 0.00 152 L 7.44 3.52 0.00 1.67 1.51 0.92 0.25 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 0.00 153 K 7.94 3.93 0.00 1.86 1.76 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 154 Y 7.54 4.35 0.00 2.80 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 0.00 155 R 7.64 3.44 0.00 1.48 1.62 0.00 2.88 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 156 Q 7.46 3.98 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.64 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 157 E 7.47 4.17 0.00 2.11 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 2.35 2.52 0.00 *159 Q 7.93 4.18 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.06 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 160 D 7.87 4.43 0.00 2.62 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 0.00 161 I 7.46 3.21 1.32 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.05 -0.60 0.00 0.00 162 T 8.43 4.13 4.30 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 1.29 0.00 0.00 163 W 7.83 4.55 0.00 3.39 3.28 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 0.00 164 E 8.78 4.25 0.00 1.93 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 2.13 2.22 0.00 165 V 7.80 4.01 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 -0.01 0.00 0.00 -0.04 0.00 0.00 166 V 8.38 4.01 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 1.10 0.00 0.00 0.83 0.00 0.00 167 Y 8.72 4.91 0.00 2.98 3.06 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 0.00 168 L 9.45 4.88 0.00 1.62 1.61 0.91 1.01 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 0.00 169 D 8.68 4.93 0.00 2.79 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 0.00 170 G 9.36 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.78 4.11 4.26 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 1.25 0.00 0.00 172 K 7.56 4.16 0.00 2.03 1.86 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 173 S 8.31 4.30 0.00 3.90 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 0.00 174 E 8.67 4.00 0.00 2.07 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 2.35 0.00 175 E 8.11 4.26 0.00 2.32 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 0.00 2.37 2.43 0.00 176 D 7.96 4.39 0.00 2.95 2.78 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 0.00 177 L 7.94 3.97 0.00 1.92 1.73 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 178 F 7.97 4.16 0.00 3.00 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 0.00 179 L 8.22 3.66 0.00 1.77 1.67 0.99 0.95 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 0.00 180 Q 7.95 4.06 0.00 2.25 2.25 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 2.38 2.39 0.00 181 V 7.80 3.38 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 0.37 0.00 0.00 0.57 0.00 0.00 182 Y 8.02 4.10 0.00 2.09 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 0.00 183 E 8.20 3.84 0.00 2.02 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 2.29 2.65 0.00 184 D 7.86 4.41 0.00 2.96 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 0.00 185 L 8.17 4.07 0.00 2.08 1.64 1.34 0.78 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 0.00 186 I 7.82 3.91 1.75 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.47 0.76 0.00 0.00 187 Q 7.74 4.24 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 188 E 7.80 4.56 0.00 1.96 2.05 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 2.41 2.62 0.00 189 L 7.35 4.04 0.00 1.41 1.57 0.78 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 190 A 8.10 4.16 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 0.00 191 K 7.29 4.51 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.41 7.81 192 Q 8.12 4.25 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.