NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 K 4.2300 8.3144 121.7877 56.2807 33.3871 174.9733 52 H 4.1866 8.7364 125.7440 54.8336 30.5332 169.0262 53 V 4.2591 8.5599 127.1020 60.6489 33.9445 174.6345 54 E 4.2109 8.6288 127.3844 55.3811 30.3574 175.1610 55 P 4.5036 0.0000 0.0000 62.4605 32.1633 177.2680 56 Q 3.9944 8.6570 118.5808 58.9930 28.9123 177.3793 57 D 4.7316 7.9702 115.3494 53.0074 39.7361 175.4845 58 A 4.5898 7.4956 121.4724 52.9941 19.1641 177.6431 59 I 4.6574 8.4310 120.2723 59.6998 42.2301 174.0488 60 S 4.7175 8.5729 122.5298 56.7149 64.3866 173.2249 61 P 4.1205 0.0000 0.0000 65.8205 30.9600 178.4370 62 D 4.4240 8.2320 117.7102 57.7650 40.8196 178.8235 63 N 4.3283 8.2222 116.5007 56.4327 38.3301 176.7958 64 Y 3.9923 7.8730 119.6339 61.2044 39.1212 177.9355 65 M 4.2836 8.5013 119.6336 58.2233 31.9215 178.3504 66 D 4.4095 8.4328 119.5356 57.9445 40.8694 178.8177 67 M 3.9896 7.7114 117.3436 58.2251 32.0054 177.9935 68 L 4.2791 7.4661 116.4582 53.8949 42.2171 176.7747 69 G 3.8850 8.0438 107.3475 46.4686 0.0000 173.7679 70 L 4.5007 7.8544 119.0294 52.5090 43.1123 177.0755 71 E 4.1019 8.6379 122.7840 56.0902 30.4697 177.6702 72 A 3.9955 8.7789 124.0777 55.5182 18.4279 180.3239 73 R 4.0486 7.9735 110.2074 58.4118 29.6890 176.8839 74 D 4.8042 8.0568 117.3087 53.9792 41.1917 176.0731 75 R 4.6895 7.4939 117.9255 54.6731 32.3490 175.5658 76 T 4.2647 8.2637 117.0067 63.0975 69.4820 174.2476 77 M 4.7677 8.6993 125.6538 53.6418 35.7834 174.3180 78 Y 5.1064 9.0742 117.9441 56.4465 41.7101 174.7820 79 E 5.1662 8.9147 121.3389 54.6152 34.9164 174.2005 80 L 5.0478 8.9980 124.3305 53.5874 44.6204 175.2255 81 V 4.5897 9.0225 128.0921 61.5930 33.3072 174.3767 82 I 5.0962 8.8868 129.7309 60.1435 39.3975 174.2812 83 Y 4.9898 9.0066 124.4255 56.1574 41.0303 175.3071 84 R 3.9125 8.8511 124.2595 55.2732 30.0083 176.1358 85 K 3.8462 8.5747 129.7788 59.7433 31.9625 177.1969 86 N 4.2997 8.2017 115.6856 55.4836 36.9196 174.6194 87 D 4.4425 7.6476 119.9846 51.8808 40.4595 175.0378 88 K 4.4515 8.5523 124.2715 57.5338 32.6437 178.9859 89 D 4.4798 8.1158 118.4557 56.6464 40.8172 177.0908 90 K 4.2997 8.2055 116.8288 55.7810 32.1934 176.9591 91 G 4.0293 8.0478 107.1755 43.8781 0.0000 171.7640 92 P 3.6494 0.0000 0.0000 62.3612 31.5731 176.9373 93 W 4.3546 9.0603 133.3746 60.3848 31.3556 175.9496 94 K 4.1097 7.4920 117.1227 55.5289 34.9725 173.9734 95 R 5.0495 8.2173 123.3306 54.5823 33.3798 174.1795 96 Y 4.7011 8.9090 121.7107 55.9125 40.8381 174.6432 97 D 4.6748 8.8948 124.1150 53.8953 42.1144 175.7495 98 L 4.3050 8.8008 126.2287 54.8148 42.2254 177.1480 99 N 4.6434 9.3396 119.9522 54.9006 39.8535 177.7747 100 G 3.7572 8.6293 105.9111 47.0307 0.0000 173.3059 101 R 4.6719 8.1435 118.6615 54.2356 33.9439 175.9734 102 S 4.7755 8.3489 113.2859 59.5955 64.5597 173.2202 103 C 5.3224 7.5980 119.7191 58.2343 34.6639 172.4995 104 Y 4.8528 9.1047 122.5125 56.1409 41.7565 173.9413 105 L 4.7178 9.6616 126.7015 53.6605 44.0173 174.9884 106 V 4.6852 8.5305 127.4876 61.5793 33.5548 174.8480 107 G 4.6306 8.5643 112.7873 45.8168 0.0000 172.3893 108 R 4.5177 9.0277 121.8344 57.0905 30.3197 175.8069 109 E 4.6662 8.7872 125.4209 55.4686 33.2953 173.7316 110 L 4.7801 8.5504 126.2554 52.5369 45.7748 177.6201 111 G 3.7785 8.7425 110.5869 46.0333 0.0000 174.5133 *122 T 4.3144 7.6235 120.1401 61.3651 69.5055 175.0020 123 E 4.3426 8.6921 121.3641 54.4813 30.5915 174.9749 124 I 4.0030 8.1972 126.6051 60.0623 38.6382 174.9116 125 V 4.0020 8.3423 128.1870 62.3665 31.8850 175.5434 126 V 4.2421 8.3495 119.3529 61.5830 33.9230 176.1313 127 A 4.3751 7.7402 121.4934 51.6727 19.3007 176.9330 128 D 4.5565 8.6445 120.6563 56.4610 42.1450 176.4647 129 I 3.8906 8.4546 120.1945 59.2375 39.7522 174.9679 130 G 4.7954 8.4964 114.4554 44.8999 0.0000 171.7962 131 I 4.3454 8.0100 124.1999 57.7993 40.4720 175.2005 132 P 4.6435 0.0000 0.0000 62.6240 30.3774 177.6488 133 E 4.5578 7.5484 118.7458 54.4637 30.9993 176.8996 134 E 3.8889 9.0722 126.0847 59.5795 29.6442 178.5989 135 T 4.1303 7.8308 106.0746 63.1286 69.3232 174.6219 136 S 4.5145 8.1359 117.5320 57.7632 64.2978 173.9677 137 S 4.6699 8.4828 117.2549 57.2828 64.3906 175.6141 138 K 3.7819 8.6952 121.8031 59.1646 31.8945 176.3161 139 Q 4.3156 7.6655 116.8917 54.3338 29.7002 174.1400 140 H 4.6107 9.2811 122.7906 57.9115 31.0576 174.1484 141 C 5.1915 7.8172 110.8975 57.0934 33.3185 172.3593 142 V 4.9164 8.5682 112.4267 59.6766 35.2337 175.0554 143 I 4.4887 8.7046 125.0054 59.9013 39.0926 174.3806 144 Q 5.0517 9.2021 129.7823 54.2564 31.5942 174.2314 145 F 5.0671 9.5761 126.0648 56.6892 40.9149 175.2674 146 R 4.9328 9.2569 121.2754 54.7211 34.7805 174.2001 147 N 4.7533 9.3223 122.5427 52.5771 38.2811 173.5802 148 V 3.9120 8.8123 123.7374 61.7023 30.8048 176.1533 149 R 3.8953 9.6974 129.0423 57.0631 27.6685 177.6191 150 G 4.0760 8.6320 103.8697 45.1243 0.0000 173.9073 151 I 4.5050 7.8310 121.1646 58.7940 39.2600 174.4992 152 L 4.2468 8.2675 128.3799 55.0429 42.3324 176.1697 153 K 4.6308 9.2253 125.3889 54.6255 36.6617 174.6347 154 C 4.7070 8.0373 122.3617 57.6529 34.4023 172.1214 155 Y 5.2254 8.5733 122.3877 56.0838 42.1954 174.4754 156 V 4.9389 8.8310 121.8138 60.2408 34.5990 174.2651 157 M 5.1230 8.5891 122.2684 52.5498 35.4020 173.6502 158 D 4.7702 8.6669 125.5418 53.6143 42.9121 176.1606 159 L 4.3318 8.3937 126.3870 54.6115 41.3272 176.1859 160 D 4.3069 8.0144 113.0346 55.3621 38.5156 173.8338 161 S 4.3785 7.5908 112.6611 57.7717 64.3382 175.1190 162 S 4.2256 8.1304 116.2583 61.8615 62.5583 176.0140 163 N 4.5062 8.1930 115.8165 53.4941 38.9648 176.2677 164 G 3.9557 7.7939 102.9390 45.3077 0.0000 172.4814 165 T 4.8145 7.7029 112.2948 61.8054 71.6349 173.3384 166 C 5.0911 8.9130 123.7883 57.9673 31.1063 172.5692 167 L 4.6341 8.7267 125.3938 53.2009 43.8887 176.1892 168 N 4.3659 9.6428 126.9175 54.5853 36.5856 175.4970 169 N 4.4253 8.2494 112.0972 53.3352 37.3974 174.9094 170 V 4.0146 7.4985 119.7004 61.0434 32.3262 174.9548 171 V 4.2190 8.2459 127.9297 61.5498 31.6580 175.9765 172 I 4.1769 8.4233 120.7004 59.4735 38.5466 174.2254 173 P 4.3585 0.0000 0.0000 62.5259 31.7760 176.5692 174 G 3.5840 8.7369 111.4831 46.3555 0.0000 172.1957 175 A 3.6408 7.8799 120.1904 52.5630 16.9169 177.4544 176 R 4.5293 7.3336 117.9114 56.0501 33.9916 173.4246 177 Y 4.5673 8.5250 123.9872 57.9264 38.9312 174.8063 178 I 4.6240 8.8162 125.2539 59.0668 40.2143 174.6783 179 E 3.8648 8.9789 128.9024 56.1999 29.8510 176.5388 180 L 4.4153 8.3695 127.6767 54.3170 43.0569 176.3055 181 R 4.6976 8.8370 119.4957 54.1958 33.3393 174.4442 182 S 4.5235 8.8384 118.3080 60.1071 62.5852 174.3462 183 G 4.1182 9.2121 116.7583 45.0921 0.0000 173.5360 184 D 4.6645 8.3873 120.6654 54.7723 42.1743 175.5723 185 V 4.7758 8.9563 123.0948 61.3573 33.6725 174.1461 186 L 5.2815 9.2625 129.0477 53.3528 43.8776 175.7518 187 T 4.8418 8.5630 113.2043 59.5801 72.1082 174.0867 188 L 4.6687 8.3427 122.4709 54.4095 41.9231 176.2506 189 S 4.5940 7.1713 111.1412 57.2585 65.5547 174.3582 190 E 3.7737 8.0689 127.1789 58.7080 29.6264 177.0556 191 F 4.5657 7.2465 119.2510 56.2013 38.8811 175.8268 192 E 3.9552 8.9621 125.5190 59.0043 29.4996 178.9235 193 E 3.9482 8.5425 119.6625 59.4581 29.5761 177.7374 194 D 4.4437 8.2584 116.9864 56.6742 41.1049 176.2011 195 N 4.6487 7.8340 116.1364 53.8840 38.2003 174.1465 196 D 4.7870 10.2021 124.2263 54.1466 43.3683 175.9133 197 Y 5.2115 8.1473 114.5495 56.0349 42.1419 174.4554 198 E 4.8832 9.2716 121.3824 54.6375 33.2486 174.9652 199 L 4.8929 9.2919 125.0716 53.4207 43.7815 175.5847 200 I 4.8584 9.0206 126.8960 59.5681 39.0510 175.1687 201 F 4.9226 9.0942 131.1896 58.2360 40.4577 174.1044 202 M 4.9000 8.5760 125.5589 53.4440 35.9049 174.2219 203 N 4.8129 8.5594 119.9743 52.1258 40.2226 174.9242 204 V 4.2001 8.8292 123.2314 61.4809 35.4430 173.9560 205 H 5.0894 8.8752 126.2129 54.5279 28.5634 173.1083 *206 H 4.7907 8.1653 119.8221 53.0974 32.4535 174.0528 *207 H 4.6036 8.6082 113.5210 55.8842 28.5027 173.6337 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 51 K 8.31 4.23 0.00 1.71 1.78 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 52 H 8.74 4.19 0.00 3.22 3.18 0.00 5.74 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 53 V 8.56 4.26 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 0.87 0.00 0.00 0.89 0.00 0.00 54 E 8.63 4.21 0.00 2.02 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 2.66 2.37 0.00 55 P 0.00 4.50 0.00 2.29 2.12 0.00 3.74 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 1.98 1.69 0.00 56 Q 8.66 3.99 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.46 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 57 D 7.97 4.73 0.00 3.09 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 58 A 7.50 4.59 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 59 I 8.43 4.66 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 1.04 0.00 0.00 60 S 8.57 4.72 0.00 4.12 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 61 P 0.00 4.12 0.00 2.09 2.09 0.00 3.49 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 62 D 8.23 4.42 0.00 2.70 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 63 N 8.22 4.33 0.00 2.91 2.90 0.00 0.00 6.75 6.78 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 64 Y 7.87 3.99 0.00 2.98 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 8.50 4.28 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.06 0.00 66 D 8.43 4.41 0.00 2.87 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 67 M 7.71 3.99 0.00 1.90 2.09 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 2.84 2.55 0.00 68 L 7.47 4.28 0.00 1.64 1.66 0.82 0.74 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 69 G 8.04 3.88 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 0.00 0.00 0.00 70 L 7.85 4.50 0.00 1.66 1.63 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.64 4.10 0.00 1.99 1.88 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 2.40 2.26 0.00 72 A 8.78 4.00 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 73 R 7.97 4.05 0.00 1.93 2.08 0.00 3.01 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 74 D 8.06 4.80 0.00 2.81 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 75 R 7.49 4.69 0.00 1.78 1.85 0.00 3.17 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 76 T 8.26 4.26 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 0.65 0.00 0.00 77 M 8.70 4.77 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 78 Y 9.07 5.11 0.00 2.93 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 79 E 8.91 5.17 0.00 1.81 1.74 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 2.18 2.16 0.00 80 L 9.00 5.05 0.00 1.79 1.65 1.04 1.05 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 81 V 9.02 4.59 2.15 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 0.72 0.00 0.00 0.92 0.00 0.00 82 I 8.89 5.10 2.33 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.54 1.28 0.00 0.00 83 Y 9.01 4.99 0.00 2.94 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 84 R 8.85 3.91 0.00 1.88 1.89 0.00 3.31 0.00 0.00 3.38 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.02 0.00 85 K 8.57 3.85 0.00 1.69 1.74 0.00 1.83 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.39 7.81 86 N 8.20 4.30 0.00 2.82 2.88 0.00 0.00 5.78 8.06 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 87 D 7.65 4.44 0.00 2.69 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 88 K 8.55 4.45 0.00 1.76 1.77 0.00 1.44 0.00 0.00 1.37 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.41 7.81 89 D 8.12 4.48 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.21 4.30 0.00 1.81 1.87 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.41 7.81 91 G 8.05 4.03 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 0.00 0.00 0.00 92 P 0.00 3.65 0.00 1.86 1.61 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.80 0.00 93 W 9.06 4.35 0.00 3.35 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 4.11 0.00 1.39 1.52 0.00 0.61 0.00 0.00 1.60 0.00 0.00 2.48 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.61 0.79 7.81 95 R 8.22 5.05 0.00 1.52 1.68 0.00 3.30 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 96 Y 8.91 4.70 0.00 2.90 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 97 D 8.89 4.67 0.00 2.72 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 98 L 8.80 4.30 0.00 1.73 1.80 1.14 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 99 N 9.34 4.64 0.00 2.75 3.10 0.00 0.00 6.95 7.35 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 0.00 100 G 8.63 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 0.00 0.00 0.00 101 R 8.14 4.67 0.00 0.83 1.38 0.00 2.70 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 102 S 8.35 4.78 0.00 3.96 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 0.00 103 C 7.60 5.32 0.00 3.23 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 0.00 104 Y 9.10 4.85 0.00 2.92 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 0.00 105 L 9.66 4.72 0.00 1.77 1.71 0.91 0.83 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 0.00 106 V 8.53 4.69 2.19 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 0.85 0.00 0.00 0.92 0.00 0.00 107 G 8.56 4.63 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 0.00 108 R 9.03 4.52 0.00 1.83 1.87 0.00 3.31 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 109 E 8.79 4.67 0.00 2.11 1.66 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 2.27 2.32 0.00 110 L 8.55 4.78 0.00 1.53 1.55 0.93 0.99 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 0.00 111 G 8.74 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 0.00 0.00 0.00 *122 T 7.62 4.31 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 0.00 123 E 8.69 4.34 0.00 1.94 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 2.25 2.35 0.00 124 I 8.20 4.00 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 1.31 0.83 0.92 0.00 0.00 125 V 8.34 4.00 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 0.94 0.00 0.00 0.95 0.00 0.00 126 V 8.35 4.24 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 0.79 0.00 0.00 0.96 0.00 0.00 127 A 7.74 4.38 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 0.00 128 D 8.64 4.56 0.00 2.82 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 0.00 129 I 8.45 3.89 1.69 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 0.28 0.89 0.45 0.00 0.00 130 G 8.50 4.80 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 0.00 131 I 8.01 4.35 1.73 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 1.22 0.93 0.49 0.00 0.00 132 P 0.00 4.64 0.00 2.01 2.07 0.00 2.20 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.13 0.00 133 E 7.55 4.56 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 134 E 9.07 3.89 0.00 1.94 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 2.32 2.36 0.00 135 T 7.83 4.13 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 136 S 8.14 4.51 0.00 3.84 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.48 4.67 0.00 3.94 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.70 3.78 0.00 1.82 1.87 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.48 7.81 139 Q 7.67 4.32 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 140 H 9.28 4.61 0.00 3.45 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.82 5.19 0.00 3.13 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 0.00 142 V 8.57 4.92 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 0.60 0.00 0.00 0.86 0.00 0.00 143 I 8.70 4.49 1.96 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 1.03 0.77 0.70 0.00 0.00 144 Q 9.20 5.05 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.88 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 145 F 9.58 5.07 0.00 3.24 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 0.00 146 R 9.26 4.93 0.00 1.74 1.83 0.00 2.35 0.00 0.00 2.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 147 N 9.32 4.75 0.00 2.85 2.93 0.00 0.00 7.08 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 0.00 148 V 8.81 3.91 2.15 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 0.96 0.00 0.00 1.04 0.00 0.00 149 R 9.70 3.90 0.00 1.97 1.98 0.00 3.25 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 150 G 8.63 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 0.00 0.00 0.00 151 I 7.83 4.51 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.02 0.94 0.00 0.00 152 L 8.27 4.25 0.00 0.27 1.05 0.67 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 153 K 9.23 4.63 0.00 1.70 1.16 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.50 7.81 154 C 8.04 4.71 0.00 2.35 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 0.00 0.00 0.00 155 Y 8.57 5.23 0.00 2.82 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 0.00 156 V 8.83 4.94 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 0.72 0.00 0.00 0.91 0.00 0.00 157 M 8.59 5.12 0.00 1.89 1.48 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 158 D 8.67 4.77 0.00 2.80 2.44 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 0.00 159 L 8.39 4.33 0.00 1.74 1.61 0.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 160 D 8.01 4.31 0.00 2.74 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 0.00 161 S 7.59 4.38 0.00 3.61 3.56 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 0.00 162 S 8.13 4.23 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 0.00 163 N 8.19 4.51 0.00 2.92 2.91 0.00 0.00 7.08 7.79 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 0.00 164 G 7.79 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 0.00 165 T 7.70 4.81 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 1.22 0.00 0.00 166 C 8.91 5.09 0.00 2.85 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 0.00 167 L 8.73 4.63 0.00 1.70 1.50 0.94 0.91 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 0.00 168 N 9.64 4.37 0.00 2.86 2.84 0.00 0.00 7.16 8.18 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 0.00 169 N 8.25 4.43 0.00 2.89 3.00 0.00 0.00 7.08 7.68 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 0.00 170 V 7.50 4.01 2.19 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 1.06 0.00 0.00 0.92 0.00 0.00 171 V 8.25 4.22 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 0.71 0.00 0.00 0.85 0.00 0.00 172 I 8.42 4.18 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.56 0.93 0.00 0.00 173 P 0.00 4.36 0.00 2.07 2.07 0.00 3.75 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 1.96 1.96 0.00 174 G 8.74 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 7.88 3.64 1.25 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 0.00 0.00 0.00 176 R 7.33 4.53 0.00 1.92 1.67 0.00 3.16 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 177 Y 8.53 4.57 0.00 2.70 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 0.00 178 I 8.82 4.62 1.89 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 1.29 1.11 0.92 0.00 0.00 179 E 8.98 3.86 0.00 1.74 1.73 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 1.95 1.68 0.00 180 L 8.37 4.42 0.00 0.68 0.77 0.17 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.84 4.70 0.00 1.80 1.87 0.00 3.14 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 182 S 8.84 4.52 0.00 4.07 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 G 9.21 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.39 4.66 0.00 2.87 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 0.00 185 V 8.96 4.78 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 1.08 0.00 0.00 1.01 0.00 0.00 186 L 9.26 5.28 0.00 1.74 1.57 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 187 T 8.56 4.84 4.44 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 1.23 0.00 0.00 188 L 8.34 4.67 0.00 1.77 1.37 0.81 0.72 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 0.00 189 S 7.17 4.59 0.00 3.74 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 0.00 190 E 8.07 3.77 0.00 1.64 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 0.00 0.00 0.00 1.90 2.03 0.00 191 F 7.25 4.57 0.00 3.14 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 0.00 192 E 8.96 3.96 0.00 2.15 2.25 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 2.41 2.35 0.00 193 E 8.54 3.95 0.00 1.96 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 2.28 2.42 0.00 194 D 8.26 4.44 0.00 2.81 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 0.00 195 N 7.83 4.65 0.00 2.92 2.80 0.00 0.00 6.84 7.95 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 0.00 196 D 10.20 4.79 0.00 2.40 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 0.00 0.00 0.00 0.00 197 Y 8.15 5.21 0.00 2.67 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 0.00 198 E 9.27 4.88 0.00 2.04 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 2.24 2.28 0.00 199 L 9.29 4.89 0.00 1.74 1.69 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 200 I 9.02 4.86 2.11 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 1.07 0.00 0.00 201 F 9.09 4.92 0.00 3.10 2.99 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 0.00 202 M 8.58 4.90 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 203 N 8.56 4.81 0.00 2.46 2.46 0.00 0.00 6.65 7.94 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 0.00 204 V 8.83 4.20 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 0.87 0.00 0.00 0.80 0.00 0.00 205 H 8.88 5.09 0.00 3.01 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *206 H 8.17 4.79 0.00 2.87 2.78 0.00 7.23 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 H 8.61 4.60 0.00 2.67 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.91 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.