NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 P 4.2774 0.0000 0.0000 61.3182 31.5028 175.4494 *22 P 4.0740 0.0000 0.0000 61.8210 32.2444 176.0602 23 Q 4.3441 7.6980 112.9807 55.4716 30.3635 174.3826 24 S 4.5473 6.7281 113.7072 56.7448 65.3590 172.9785 25 W 4.8297 9.0445 126.7458 54.9095 32.5374 174.6864 26 R 5.1270 9.3698 121.4378 53.7784 33.7887 174.8557 27 G 4.2894 7.2811 111.2170 46.4288 0.0000 171.5019 28 V 4.8911 8.1223 120.8931 60.9959 33.3682 174.9916 29 L 4.8702 8.7180 128.2876 52.0691 44.4598 174.2284 30 P 4.5814 0.0000 0.0000 63.2743 32.3479 176.2294 31 C 4.8881 8.6933 121.7126 54.4908 45.1477 174.3284 32 A 3.9336 8.8375 130.8079 54.7758 18.1015 177.0208 33 D 4.9161 7.5920 114.7801 53.7474 41.6038 173.7074 34 C 4.9339 7.9423 112.7145 55.0227 39.7550 174.1434 35 E 3.9618 8.3646 118.6429 57.3144 29.2947 178.0070 36 G 4.3473 6.3688 106.5411 45.2450 0.0000 170.8111 37 I 4.5363 8.0186 121.5756 59.0871 39.3383 175.2977 38 E 4.3456 9.3833 128.5378 56.7375 30.0560 176.0886 39 T 5.1642 8.9210 122.7796 61.7374 71.5483 174.2276 40 S 4.8095 8.7207 119.8051 56.9624 66.1803 172.9417 41 L 5.0021 8.8889 126.9491 53.0838 44.8839 174.8086 42 F 5.1372 9.4216 124.3841 55.7934 42.0246 174.0736 43 L 4.6673 9.1280 125.4224 53.4002 42.2446 176.4029 44 E 4.6635 9.6102 127.0504 55.4747 30.9608 177.5981 45 K 4.2672 9.0204 123.7817 57.9055 31.8142 178.4231 46 D 4.7165 8.2716 117.9705 53.7210 39.8624 177.4421 47 G 3.2894 8.3425 106.1456 47.0525 0.0000 173.7886 48 T 5.4078 7.6694 108.6532 59.6709 72.0802 173.2375 49 W 6.3000 9.3794 118.9967 54.2536 32.5189 173.9699 50 V 5.4636 8.3873 118.6686 59.7872 35.2936 172.7981 *52 N 4.7301 8.5170 117.5375 53.6140 40.3989 172.6846 53 E 4.8993 8.4783 124.4620 54.3917 33.1389 174.6283 54 R 4.8436 8.7380 125.0174 54.6340 33.2981 173.8901 55 Y 4.8397 9.0530 124.8510 56.4371 38.4449 175.4681 56 L 4.0622 8.8053 126.2153 54.7382 43.0551 177.9563 57 G 3.7813 9.0565 110.8126 46.5568 0.0000 173.7897 58 A 4.2270 8.1986 123.5338 52.6789 19.2291 178.9092 59 R 4.6386 8.5890 119.8029 56.1750 31.4293 175.1050 60 E 4.6974 7.9242 115.9073 55.3350 31.5939 179.8857 61 E 3.9066 8.3288 116.1612 58.6468 30.2231 176.6478 62 P 4.6434 0.0000 0.0000 61.3767 31.1331 177.1379 63 S 4.3854 8.6654 120.1407 60.5639 63.0190 173.8676 64 S 5.3441 7.8305 113.5202 58.1660 66.0669 174.7436 65 F 5.1477 8.8100 114.8361 55.8160 41.1649 173.1643 66 A 5.2289 8.8690 122.9354 50.5589 21.9807 175.5399 67 S 5.0031 8.5015 112.2821 57.3747 67.2569 172.2962 68 Y 4.0460 8.0729 117.9427 55.0783 42.0559 173.5691 69 G 3.5247 5.8770 104.0034 46.0060 0.0000 171.2453 70 T 5.3604 7.8948 109.4801 59.8262 71.8398 173.5466 71 W 5.8191 8.7088 118.8809 54.7995 31.4539 174.3043 72 A 4.8966 9.2197 123.7805 50.0312 21.8610 175.0295 73 R 4.9977 8.6905 117.3579 54.8398 31.6284 175.7629 74 T 4.3896 8.1580 124.7522 62.8328 68.4440 173.5197 75 A 3.7678 8.2284 124.4121 55.6499 18.9025 177.2394 76 D 4.8248 8.0184 114.9847 54.0956 44.0119 177.0028 77 K 4.7999 7.9694 117.3724 56.5007 33.9633 175.7879 78 L 4.9717 8.9226 122.9000 53.9927 46.0576 174.3317 79 V 4.7305 9.2914 126.7235 61.2113 34.2695 173.9894 80 L 4.7659 8.5789 128.9878 53.6745 43.3783 175.7592 81 T 5.0505 8.9344 122.0608 61.8272 70.5376 174.9398 82 D 5.3868 9.0099 127.6384 52.1574 40.9322 177.1551 83 S 3.7952 7.8191 113.4338 60.2678 62.5766 175.1299 84 K 4.3730 8.1772 118.8161 55.9748 32.5083 176.9492 85 G 3.9476 8.4544 107.4995 45.3171 0.0000 173.9585 86 E 4.1306 8.8412 121.4490 56.0778 29.8793 176.4453 87 K 5.4852 8.5913 123.2143 54.9261 34.2656 175.8061 88 S 4.2171 7.4800 114.4337 57.3497 66.3433 172.4553 89 Y 5.3152 8.0211 117.4443 56.6814 41.5534 174.3705 90 Y 5.5398 9.2430 119.0706 55.3917 43.2863 174.1972 91 R 4.8429 8.4756 120.8896 54.6447 33.1156 174.2036 92 A 4.7412 8.7267 132.1030 51.6145 18.9078 177.4919 93 K 4.3904 8.5148 124.3533 53.6175 32.2604 175.1543 94 G 4.1194 8.3034 118.0077 45.0293 0.0000 172.7229 95 D 4.7230 8.9441 124.0604 53.8195 41.3900 175.7141 96 A 4.5992 7.6883 122.9422 50.6666 20.4277 175.7738 97 L 4.4718 8.1422 122.3542 53.2316 43.8614 175.4447 98 E 4.4657 8.6855 133.4901 56.1993 32.0208 175.4300 *100 L 4.6152 8.4109 125.8618 55.8255 43.5559 176.1557 101 D 4.7081 8.5424 120.6699 51.8247 40.8062 177.7347 102 R 2.6027 7.9120 115.1520 57.9007 29.3046 177.4259 103 E 3.9304 7.8146 117.0517 57.2205 29.7903 177.3037 104 G 3.9539 8.0339 106.7964 44.9625 0.0000 173.6284 105 N 4.6144 8.7804 118.4340 51.6870 39.4911 172.8613 106 P 4.6180 0.0000 0.0000 62.1442 32.4341 175.9622 107 I 4.0431 7.9925 115.0547 60.4145 38.5625 174.7644 108 E 4.7129 8.2261 119.9198 55.0257 32.6401 174.3243 109 S 4.6110 8.0500 114.1886 56.6927 66.5475 173.8252 110 Q 4.3353 8.4215 122.5510 55.0439 29.6153 175.4064 111 F 5.0251 8.5331 120.9179 56.0531 40.9727 174.9702 112 N 4.9099 8.4933 120.7934 52.0816 40.9027 175.2155 113 Y 4.6497 8.0109 115.5352 56.3655 38.9346 173.9922 114 T 4.6596 7.8996 111.8755 59.2811 71.8497 174.3376 115 L 4.3194 8.6019 126.9634 54.4488 42.4121 176.7729 116 E 4.3606 8.5853 120.0606 54.1793 30.8794 172.5482 117 A 4.0168 8.4862 125.7478 52.1902 18.7562 176.5939 118 A 4.5470 8.1173 123.7847 51.2820 22.2470 174.8895 119 Q 4.5949 8.4466 120.2629 54.2851 31.0588 174.6776 120 S 4.6904 8.2360 118.4339 56.5681 66.1237 173.7574 121 S 4.3776 8.3170 115.6372 57.5016 63.6419 174.0923 122 L 4.0335 8.3895 121.9126 54.4652 42.0356 177.0889 123 P 4.3850 0.0000 0.0000 62.8061 31.5149 174.8608 *125 T 3.9717 8.2166 113.6603 63.1809 69.2987 172.3425 126 P 4.5558 0.0000 0.0000 62.3409 32.6974 175.3241 *128 T 4.2642 7.9954 113.6797 63.5169 69.5605 173.5869 129 L 5.0340 8.7717 124.4243 52.9203 46.2462 175.3595 130 R 5.0187 8.7314 122.1921 55.5850 33.0101 173.3476 131 G 3.2193 9.2743 118.3671 45.9260 0.0000 174.5508 *133 Y 5.0286 9.0576 123.3189 57.4631 41.0314 172.7484 134 F 4.4401 7.9343 127.2236 56.8855 43.1478 172.4487 135 Y 5.0893 7.4266 125.4189 53.8459 42.9020 174.5290 *137 A 4.1792 7.8658 123.2939 53.6424 19.2626 176.4031 138 D 5.1538 7.9179 113.3416 53.1546 39.4711 174.3186 139 A 4.5842 7.2015 119.2396 50.3905 21.2308 175.5399 140 A 5.1463 8.8040 124.9808 50.6756 21.2788 175.7969 141 T 4.9154 8.6632 111.6203 59.9485 73.2232 173.2509 142 F 4.9930 9.2982 124.6991 57.2529 42.1159 173.5991 143 T 4.3112 8.2258 124.5418 62.4355 69.7278 173.8619 144 D 4.8985 8.8220 128.4737 54.2009 41.7303 176.0873 145 C 4.0897 9.1679 124.9089 60.3227 40.6408 175.4440 146 A 4.1551 8.4075 120.6320 55.0886 18.1833 178.2213 147 T 4.3839 9.6161 104.8450 60.5924 69.7342 176.8849 148 G 3.9759 8.7123 110.1502 46.2411 0.0000 174.5083 149 K 4.1126 7.7148 119.3059 56.3052 33.5330 176.1622 150 R 4.5260 8.0706 122.1130 53.6477 32.2857 174.4721 151 F 4.9822 7.9999 125.1040 57.5923 41.1733 178.4675 *153 V 4.2892 8.4803 128.4809 63.2738 31.8877 173.5932 154 A 4.0610 8.9596 129.8487 52.4462 18.7127 177.0678 155 N 4.3397 8.8359 119.3206 54.1417 39.3585 175.3248 156 N 4.5787 9.5012 120.6583 52.0678 41.2624 174.7714 157 A 3.9351 8.5585 130.5991 55.3150 18.4528 178.1157 158 E 3.8122 8.1269 115.6172 59.2273 29.7020 178.9802 159 L 3.9507 8.1117 119.9432 58.4877 41.7199 178.8159 160 E 4.0152 8.1362 118.2535 59.4472 29.1456 179.5264 161 R 3.9028 8.1660 118.3541 59.3146 29.9705 178.8602 162 S 4.0593 8.0305 114.1477 62.0107 63.1746 175.9851 163 Y 2.8838 7.9307 121.9793 60.4128 38.3473 178.1286 164 L 3.3656 7.5945 119.1912 57.7205 41.6399 179.4019 165 A 4.0515 8.0128 118.0965 53.7688 18.3079 178.1696 166 A 4.5068 7.5891 117.9357 52.1191 20.5503 177.9598 167 R 4.1786 7.3683 113.3524 56.7256 30.0993 177.8249 168 G 3.7886 8.3227 110.7175 47.8810 0.0000 177.1134 *169 H 4.5820 8.5498 115.0440 52.0076 26.2149 172.5771 170 S 4.5737 7.4726 116.8172 58.7483 66.7045 178.4553 171 E 4.6168 8.9139 121.6489 55.7941 28.8484 176.4059 172 K 4.9622 7.4912 122.2163 51.7607 35.6765 176.0734 173 P 5.0757 0.0000 0.0000 63.1356 32.0453 175.6254 174 V 4.6629 8.7417 123.0006 60.7310 33.7837 175.1157 175 L 4.4280 8.7269 129.0394 55.6072 43.4428 175.2791 176 L 4.8594 9.4413 126.6777 53.4059 45.9255 174.7234 177 S 5.3729 8.4951 119.9194 56.6512 64.5897 172.9729 178 V 4.7251 8.5564 126.2303 60.0266 35.3926 174.1705 179 E 4.6299 8.1728 119.9878 55.5872 31.2361 175.6812 180 G 4.6553 7.8282 108.7488 44.2207 0.0000 171.5288 181 H 4.9827 8.0283 114.6899 53.6072 32.5024 172.4227 182 F 4.8503 8.6461 117.5934 57.0979 40.2297 175.0314 183 T 4.7957 9.0431 116.4821 60.5835 71.6643 171.9896 184 L 5.0220 8.4423 124.1109 53.7108 43.2952 175.7459 185 E 4.3807 8.7970 124.1880 55.8292 33.1757 174.6844 186 G 3.7534 9.0431 110.0860 45.8377 0.0000 173.1387 187 N 4.0900 8.5760 123.5827 52.2594 40.6495 173.8904 *193 P 4.9183 0.0000 0.0000 62.3122 31.5205 175.1336 194 T 4.7223 7.8679 113.4361 59.2807 72.2097 173.1796 195 K 4.5424 8.8550 125.9721 57.6377 32.8586 175.8892 196 V 4.6490 8.7750 124.3719 60.4382 35.4706 172.6454 197 L 4.2150 8.6095 125.1606 54.2434 43.4998 174.7596 198 A 4.9264 8.3476 129.4173 49.2821 20.7860 174.4172 199 P 4.7007 0.0000 0.0000 63.2449 32.1625 176.0713 200 D 5.0633 9.2240 119.3629 54.3092 43.2070 175.6175 201 T 4.7438 7.5676 106.6476 59.6215 71.6955 173.1823 202 A 4.0142 8.3291 125.0881 52.3584 18.8964 177.4613 203 G 3.6729 8.1654 109.7994 45.8015 0.0000 174.5534 204 K 4.3642 7.5287 121.9560 53.5623 34.4343 171.9089 205 F 4.6241 8.3692 124.7722 56.4418 40.2278 175.7326 206 Y 4.8503 8.9039 120.3605 55.3198 39.0647 174.4704 207 P 4.3214 0.0000 0.0000 66.4598 31.5614 179.0497 208 N 4.5154 8.2152 114.7553 54.2022 37.8119 177.0326 209 Q 4.4939 7.4099 116.5248 55.2535 29.8526 173.8028 210 D 4.9164 8.0404 118.0812 51.8167 42.7165 174.6384 211 C 4.3432 8.9864 115.6581 60.5660 40.3068 175.8458 212 S 4.1799 8.5341 114.2617 61.5364 62.4237 174.9023 213 S 4.2714 7.3163 112.7565 58.9870 62.9695 174.4065 214 L 4.0032 8.0036 118.7701 55.4004 42.3333 175.4916 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 20 P 0.00 4.28 0.00 2.11 1.96 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 *22 P 0.00 4.07 0.00 1.34 1.83 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 23 Q 7.70 4.34 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.89 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 24 S 6.73 4.55 0.00 3.62 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 25 W 9.04 4.83 0.00 3.10 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 26 R 9.37 5.13 0.00 1.61 1.76 0.00 3.43 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.48 0.00 27 G 7.28 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 0.00 0.00 0.00 0.00 28 V 8.12 4.89 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 0.86 0.00 0.00 0.93 0.00 0.00 29 L 8.72 4.87 0.00 1.58 1.52 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.58 0.00 2.00 1.98 0.00 3.67 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 1.93 1.85 0.00 31 C 8.69 4.89 0.00 3.01 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 32 A 8.84 3.93 1.31 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 0.00 0.00 0.00 33 D 7.59 4.92 0.00 2.63 2.62 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 0.00 34 C 7.94 4.93 0.00 3.40 3.24 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 35 E 8.36 3.96 0.00 2.27 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 0.00 2.36 2.31 0.00 36 G 6.37 4.35 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 0.00 37 I 8.02 4.54 1.72 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 0.95 0.79 0.38 0.00 0.00 38 E 9.38 4.35 0.00 1.91 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 0.00 2.30 2.26 0.00 39 T 8.92 5.16 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 40 S 8.72 4.81 0.00 3.72 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 41 L 8.89 5.00 0.00 1.65 1.47 0.87 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.42 5.14 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.13 4.67 0.00 1.39 0.87 0.65 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.61 4.66 0.00 2.27 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 2.57 2.51 0.00 45 K 9.02 4.27 0.00 1.68 1.83 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.01 7.81 46 D 8.27 4.72 0.00 2.84 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 47 G 8.34 3.29 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 0.00 48 T 7.67 5.41 4.35 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 1.27 0.00 0.00 49 W 9.38 6.30 0.00 3.57 3.29 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 50 V 8.39 5.46 2.12 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 1.15 0.00 0.00 0.95 0.00 0.00 *52 N 8.52 4.73 0.00 2.96 2.87 0.00 0.00 6.66 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 53 E 8.48 4.90 0.00 1.16 1.22 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 1.99 1.87 0.00 54 R 8.74 4.84 0.00 1.79 1.66 0.00 3.09 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 55 Y 9.05 4.84 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 4.06 0.00 1.74 1.62 0.93 0.77 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 57 G 9.06 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 58 A 8.20 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.59 4.64 0.00 1.78 1.74 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 60 E 7.92 4.70 0.00 1.96 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 2.14 1.84 0.00 61 E 8.33 3.91 0.00 1.98 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 2.24 1.89 0.00 62 P 0.00 4.64 0.00 2.48 2.31 0.00 3.66 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 2.10 1.95 0.00 63 S 8.67 4.39 0.00 4.12 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 0.00 64 S 7.83 5.34 0.00 4.01 3.89 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.69 5.00 0.00 2.04 2.19 0.00 3.28 0.00 0.00 3.48 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.83 0.00 74 T 8.16 4.39 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 1.24 0.00 0.00 75 A 8.23 3.77 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 76 D 8.02 4.82 0.00 2.81 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 77 K 7.97 4.80 0.00 1.77 1.78 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.40 7.81 78 L 8.92 4.97 0.00 1.69 1.56 0.96 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 79 V 9.29 4.73 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 0.90 0.00 0.00 1.12 0.00 0.00 80 L 8.58 4.77 0.00 1.30 0.83 0.64 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.93 5.05 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 1.26 0.00 0.00 82 D 9.01 5.39 0.00 3.06 3.29 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 83 S 7.82 3.80 0.00 3.50 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 84 K 8.18 4.37 0.00 1.72 1.81 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.35 7.81 85 G 8.45 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 86 E 8.84 4.13 0.00 2.33 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 2.44 2.45 0.00 87 K 8.59 5.49 0.00 1.51 1.33 0.00 1.86 0.00 0.00 2.44 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 88 S 7.48 4.22 0.00 3.59 3.73 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 89 Y 8.02 5.32 0.00 2.66 2.82 0.00 0.00 0.00 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0.00 144 D 8.82 4.90 0.00 3.42 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 0.00 145 C 9.17 4.09 0.00 3.12 3.18 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 0.00 146 A 8.41 4.16 1.42 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 0.00 147 T 9.62 4.38 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 1.34 0.00 0.00 148 G 8.71 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.71 4.11 0.00 1.55 1.56 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.57 7.81 150 R 8.07 4.53 0.00 1.62 1.67 0.00 3.36 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 151 F 8.00 4.98 0.00 3.29 2.48 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 *153 V 8.48 4.29 2.33 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 0.90 0.00 0.00 1.17 0.00 0.00 154 A 8.96 4.06 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 0.00 155 N 8.84 4.34 0.00 2.73 2.81 0.00 0.00 6.77 8.00 0.00 0.00 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 N 9.50 4.58 0.00 2.66 2.60 0.00 0.00 6.83 7.30 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 0.00 157 A 8.56 3.94 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 0.00 158 E 8.13 3.81 0.00 2.06 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 0.00 2.37 2.44 0.00 159 L 8.11 3.95 0.00 1.86 1.71 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.14 4.02 0.00 1.95 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 1.47 2.07 0.00 161 R 8.17 3.90 0.00 2.16 1.94 0.00 3.13 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 162 S 8.03 4.06 0.00 4.20 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 0.00 163 Y 7.93 2.88 0.00 2.57 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 0.00 164 L 7.59 3.37 0.00 1.81 1.56 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.01 4.05 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.59 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.37 4.18 0.00 1.89 1.83 0.00 2.82 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.36 0.00 168 G 8.32 3.79 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 0.00 0.00 0.00 *169 H 8.55 4.58 0.00 2.95 2.91 0.00 7.25 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 0.00 170 S 7.47 4.57 0.00 3.97 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 0.00 171 E 8.91 4.62 0.00 1.99 1.80 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 2.14 1.84 0.00 172 K 7.49 4.96 0.00 1.73 1.57 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 0.95 7.81 173 P 0.00 5.08 0.00 2.14 2.17 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 174 V 8.74 4.66 2.55 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 1.05 0.00 0.00 1.21 0.00 0.00 175 L 8.73 4.43 0.00 1.94 1.93 0.96 0.59 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 0.00 176 L 9.44 4.86 0.00 1.69 1.52 0.84 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 177 S 8.50 5.37 0.00 4.11 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 0.00 178 V 8.56 4.73 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 0.65 0.00 0.00 0.79 0.00 0.00 179 E 8.17 4.63 0.00 1.92 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 2.24 2.21 0.00 180 G 7.83 4.66 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 0.00 0.00 0.00 181 H 8.03 4.98 0.00 3.29 3.45 0.00 5.26 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 0.00 182 F 8.65 4.85 0.00 2.88 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 0.00 183 T 9.04 4.80 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 1.19 0.00 0.00 184 L 8.44 5.02 0.00 1.58 1.59 0.93 0.82 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 0.00 185 E 8.80 4.38 0.00 2.04 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 0.00 2.20 2.24 0.00 186 G 9.04 3.75 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 0.00 0.00 0.00 187 N 8.58 4.09 0.00 2.79 2.90 0.00 0.00 5.94 7.75 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 *193 P 0.00 4.92 0.00 2.24 2.21 0.00 3.33 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 194 T 7.87 4.72 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 0.00 195 K 8.86 4.54 0.00 1.81 1.85 0.00 1.19 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.46 7.81 196 V 8.78 4.65 2.14 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 0.81 0.00 0.00 0.96 0.00 0.00 197 L 8.61 4.21 0.00 1.36 1.38 -0.16 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 198 A 8.35 4.93 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 0.00 199 P 0.00 4.70 0.00 1.97 1.92 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 200 D 9.22 5.06 0.00 2.55 2.64 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 0.00 201 T 7.57 4.74 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 1.21 0.00 0.00 202 A 8.33 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 G 8.17 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 K 7.53 4.36 0.00 1.36 1.66 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.28 7.81 205 F 8.37 4.62 0.00 2.85 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 0.00 206 Y 8.90 4.85 0.00 2.97 2.86 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 0.00 207 P 0.00 4.32 0.00 2.23 2.45 0.00 3.93 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 2.09 2.04 0.00 208 N 8.22 4.52 0.00 2.77 2.77 0.00 0.00 6.67 7.46 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 0.00 209 Q 7.41 4.49 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 210 D 8.04 4.92 0.00 2.68 2.64 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 0.00 211 C 8.99 4.34 0.00 2.97 3.21 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 0.00 0.00 0.00 212 S 8.53 4.18 0.00 3.97 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 0.00 213 S 7.32 4.27 0.00 3.91 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 0.00 214 L 8.00 4.00 0.00 1.58 1.51 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.