NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0900 7.9127 114.0131 61.1839 33.7877 173.8918 13 L 4.4727 8.4349 126.7242 53.2326 42.5440 174.1088 14 Q 4.1856 9.3849 128.0983 54.5149 30.1004 176.3996 15 K 4.0272 8.3523 122.7303 57.8596 32.9013 177.2153 16 R 4.3981 7.7532 118.4984 54.4149 30.7255 174.7861 17 P 4.5802 0.0000 0.0000 63.8647 31.6653 175.5394 18 V 4.4444 8.9282 123.9691 61.0190 34.2068 174.1349 19 I 4.8418 8.3543 128.2593 60.6051 38.2608 175.4651 20 V 4.9828 8.8454 119.1913 59.6818 36.6687 173.9861 21 K 4.8995 9.3645 123.9453 54.6074 34.6984 175.3605 22 V 4.0561 8.5836 127.9278 63.2148 31.9922 176.0720 23 L 4.5179 9.2515 128.6387 56.5403 42.9365 176.8316 24 S 4.9377 7.8383 111.0899 57.5279 66.4353 173.1045 25 T 5.4396 8.3494 109.8293 60.4619 71.8514 173.3503 26 T 4.5894 8.8973 114.4660 60.0110 70.7411 174.3357 27 K 4.1394 8.4918 121.4560 55.9459 33.2286 174.6506 28 P 4.6962 0.0000 0.0000 62.8605 32.6381 174.9890 29 F 4.9939 7.6946 114.0510 55.7484 41.5992 172.1913 30 E 5.1339 8.9629 120.7636 55.0909 30.9638 174.3296 31 Y 5.1422 8.7972 123.8655 55.4838 42.3612 173.4430 32 E 5.1958 8.7912 119.1310 54.6310 31.6351 176.6241 33 T 4.3346 8.3870 114.8877 60.2910 69.7020 173.1313 34 P 4.3463 0.0000 0.0000 65.1599 31.0341 177.3159 35 E 4.0363 7.5991 118.9234 58.5286 30.2286 176.0118 *37 E 4.1374 7.6320 115.9202 56.1318 31.6317 173.9391 38 K 4.7587 8.4359 121.0704 55.5829 33.2300 176.1741 39 K 4.6622 8.7582 124.0563 54.3566 36.6087 175.1130 40 I 5.4429 8.1604 114.1814 58.0046 40.8643 174.3091 *42 F 4.3886 8.3305 117.0653 57.2335 39.7616 173.0884 43 H 5.3123 9.0382 115.9636 54.4958 30.9736 174.2902 44 A 5.4027 9.0387 122.0823 50.7396 23.4327 174.8957 45 T 5.1581 9.2278 115.6585 62.0043 71.9527 174.0251 46 V 5.2023 9.0237 117.7838 59.9490 36.5251 174.2373 47 A 5.2639 9.1928 122.6033 51.5143 22.9846 176.6322 48 T 4.5955 8.4271 110.8717 60.3624 71.2893 174.5972 49 Q 4.1411 8.1720 118.9814 58.4565 28.8608 176.8749 50 T 4.5412 7.5908 105.4576 61.4119 70.7610 174.1033 51 Q 4.4254 7.6666 120.0348 54.0717 32.8222 173.1591 52 F 5.3154 7.9452 114.7660 55.2470 41.0583 174.5545 53 F 4.6314 9.1118 117.7024 56.1720 43.5196 173.9082 54 H 5.0063 8.6727 119.5750 55.5960 30.4715 174.4147 55 V 4.7959 8.8620 121.1757 61.1932 34.9573 174.2775 56 K 4.2970 9.0671 128.2657 55.6785 32.9957 176.2346 57 V 3.8430 7.9529 127.3027 60.9613 31.1969 174.9941 58 L 4.3649 8.3879 126.0342 54.2665 42.6040 176.8043 59 N 4.7220 7.7412 117.8325 51.9725 40.0607 174.8927 60 T 4.3753 8.3384 116.5791 63.6343 69.4630 176.2919 61 S 4.3675 8.0200 115.8739 58.7848 63.0018 174.4666 62 L 4.9074 7.9180 118.7246 54.8010 42.1359 178.1086 63 K 3.9419 8.1608 122.1542 59.4108 32.3739 177.9032 64 E 4.1565 8.3408 116.5790 59.1654 29.8062 179.1592 65 K 3.9395 8.1737 117.7778 58.7412 32.2373 177.3980 66 F 4.6219 7.9961 115.5788 57.2064 39.1915 175.7105 67 N 4.4458 7.9658 119.6172 52.7439 38.8508 174.8238 68 G 3.9641 8.6341 109.7324 47.5436 0.0000 173.3961 69 K 3.9562 8.7751 121.7203 56.7611 30.6632 176.0767 70 K 4.1188 7.6141 118.9462 56.5053 33.4757 176.1614 71 I 4.5958 8.1790 124.8778 60.1344 38.6921 174.8681 72 I 4.9405 8.3802 120.3054 58.9503 41.5661 174.3338 73 I 4.9948 8.7183 122.8012 59.6348 40.1064 174.8132 74 I 5.1539 8.5915 128.3262 59.6082 39.7541 175.0800 75 S 5.0858 8.9989 120.3809 56.5327 67.3061 172.9817 76 D 4.6183 8.5672 116.6530 55.6994 38.3611 173.2820 77 Y 4.9610 7.1686 115.4714 55.5052 41.3548 174.6804 78 L 5.0663 8.6139 120.3734 53.6426 43.9821 175.2737 79 E 5.2702 8.6106 124.1494 54.7787 31.5549 174.6293 80 Y 4.7589 8.6890 122.6308 57.0480 40.9487 173.5167 81 D 4.6347 9.4535 117.5015 55.8664 38.5616 173.7778 82 S 3.7952 8.4412 110.3536 59.2457 60.9197 171.5924 83 L 4.9708 8.0341 118.1701 54.3782 44.6598 174.5990 84 L 5.1781 8.7632 118.2131 52.8372 45.0913 175.5203 85 E 4.9117 9.3138 123.4281 54.4450 32.5345 174.5493 86 V 4.5780 8.7681 128.1115 61.5313 33.5317 174.1440 87 N 5.3270 8.4468 127.1449 50.9275 39.9837 174.3634 88 E 3.9730 8.8852 116.1065 60.0192 29.4835 178.0371 89 E 4.2343 8.1709 115.7920 57.4497 29.9271 176.8842 90 S 4.8721 7.7784 115.2438 58.2888 64.4695 173.5600 91 T 4.6691 8.6203 118.4752 61.9165 70.7801 173.7805 92 V 5.0371 8.4867 125.6865 61.1263 34.2344 174.5371 93 S 4.8874 8.8012 121.6759 56.1528 66.7533 173.0652 94 E 4.4113 8.6952 120.7976 56.1492 29.6760 176.9586 95 A 4.2407 8.6452 126.8764 51.6525 19.7681 177.3558 96 G 3.8761 10.0559 110.3362 43.9963 0.0000 173.2987 97 P 4.2665 0.0000 0.0000 65.3137 31.2748 177.8143 98 N 4.6033 8.0277 113.6066 54.6950 39.1569 175.8275 99 Q 4.4657 7.5608 118.2589 54.4378 27.2762 174.2860 100 T 4.5877 7.6345 115.8456 61.5114 72.3484 173.3186 101 F 4.9004 7.8411 118.2675 56.2709 40.5010 172.7892 102 E 4.6752 8.6398 120.4889 54.4525 31.3153 176.1633 103 V 4.0143 8.3506 122.9712 61.4253 32.3700 174.7726 104 P 4.4610 0.0000 0.0000 62.8270 33.1924 176.7764 105 N 4.2925 8.8250 117.3578 56.5573 38.4890 177.6743 106 K 3.9795 7.9901 119.5579 60.0520 32.5802 179.2139 107 I 3.6757 7.6332 120.4535 64.1775 36.9687 178.1351 108 I 3.6323 7.4070 119.2333 64.4969 37.3054 178.0086 109 N 4.3853 8.5871 117.4890 56.2859 38.4587 177.4443 110 R 3.7993 8.3385 119.5836 59.4613 29.9920 178.9143 111 A 2.0000 7.5008 119.0992 53.8361 18.2847 178.9506 112 K 4.0884 7.1880 114.2860 55.9984 32.9385 177.0720 113 E 4.1761 7.0109 117.5567 55.9142 30.5359 176.1153 114 T 4.4830 7.8422 116.6837 61.3799 71.0824 174.4292 115 L 4.2172 8.2934 125.5803 54.3270 42.6682 177.8021 116 K 4.4271 8.3806 121.0399 56.3011 34.0410 178.6218 117 I 3.7312 9.2464 124.4781 64.5052 36.8253 178.5777 118 D 4.4150 8.1035 118.7237 56.6780 39.3344 178.4373 119 I 3.8910 7.6982 120.5981 64.1491 37.2416 178.1537 120 L 4.0288 7.9319 119.8593 58.0828 41.2266 179.0570 121 H 4.9898 8.2111 116.1213 57.0427 28.6872 176.6594 122 K 4.4980 7.7270 118.5526 55.3016 32.9594 176.3849 123 Q 4.2422 7.2737 118.5338 55.0440 29.5827 175.6520 124 A 4.1824 8.2988 123.0078 51.5556 19.1995 177.3445 125 S 4.1944 8.5674 116.9287 60.2668 62.7648 174.2881 126 G 4.1171 9.0564 115.7787 45.3558 0.0000 173.8735 127 N 4.6249 7.8503 117.2899 53.5820 39.8033 174.1610 128 I 4.8765 8.3017 122.0484 60.1728 39.1507 175.3292 129 V 4.6160 9.2927 126.1788 61.4082 34.3201 173.8689 130 Y 5.0542 9.3551 124.5444 55.7573 41.2169 175.0983 131 G 3.7946 7.4555 110.3212 46.3949 0.0000 171.3989 132 V 4.6689 7.6771 120.7092 60.2830 32.9020 173.9708 133 F 4.6537 9.0930 130.1977 56.6906 43.2796 175.3481 *135 L 4.3400 8.5042 128.3003 56.6977 42.6197 176.3650 136 H 4.5821 9.4972 127.3349 58.2710 30.6652 175.0755 137 K 4.6151 7.5475 114.4620 55.9375 35.2913 174.0967 138 K 5.0551 8.5806 119.6468 55.4879 35.9676 175.6919 139 T 4.4076 8.5041 118.8510 61.8356 71.3315 173.3169 140 V 4.0730 8.3528 127.6575 62.2326 32.1606 174.9193 141 N 5.0494 8.5267 128.6696 51.8610 41.0996 174.1728 142 Q 4.1330 8.8153 118.9083 59.3759 29.1995 178.0343 143 K 4.3961 7.9101 113.3889 55.6945 34.7082 175.8583 144 T 4.9860 7.5737 108.1368 59.9625 72.4077 172.8878 145 T 4.8470 8.9013 119.8073 61.8634 72.0472 173.1333 146 I 4.5425 8.3545 127.3253 60.2686 38.9076 174.3679 147 Y 4.8412 8.8619 126.8490 56.5720 39.6398 174.6796 148 E 4.7258 9.6013 127.5378 55.3446 30.8281 175.2385 149 I 4.9184 8.2373 120.6425 59.5615 40.7638 174.2957 150 Q 5.0690 8.3439 119.8336 55.4633 31.8209 173.3907 151 D 4.8737 8.8105 119.1156 52.0147 42.3284 175.4842 152 D 4.5361 8.8127 117.1286 55.8629 39.4092 176.8367 153 R 4.4733 8.9923 117.1273 54.9153 31.2122 175.4158 154 G 4.0936 6.4171 104.1777 46.4264 0.0000 170.8822 155 K 5.6718 7.8544 118.2762 53.4064 36.5947 175.6381 *157 D 4.5675 8.3820 118.9391 54.4706 42.6827 175.0534 158 V 4.7997 8.8986 122.2499 61.1613 34.3047 174.2045 159 V 4.7020 9.3383 128.7732 61.4025 33.3427 174.4870 160 G 4.8032 9.5808 115.8183 43.8498 0.0000 171.9845 161 T 5.0747 8.8061 115.4349 58.9664 72.6903 175.7017 162 G 3.8714 8.8580 110.4041 46.4165 0.0000 177.2320 163 Q 4.2026 9.0626 121.6844 58.5361 28.2737 176.9141 164 C 4.5072 8.4662 115.9691 59.7938 28.6337 172.1866 165 H 4.8204 8.2150 121.0954 55.9492 30.2227 174.2223 166 N 4.1368 8.9271 125.8202 54.5609 37.5515 174.3137 167 I 3.9424 7.7079 116.9183 59.9873 37.8924 174.7262 168 P 4.3639 0.0000 0.0000 62.8458 31.6644 175.3530 169 C 4.8969 8.2191 116.1492 58.3627 31.3338 171.8465 170 E 4.6210 9.0055 118.0435 54.6412 32.2875 173.9710 171 E 4.1531 8.6014 119.8315 58.1876 29.7145 176.0689 172 G 4.0967 8.8356 114.4573 45.3883 0.0000 173.7201 173 D 4.4967 7.8102 119.4056 54.4801 41.6783 176.3680 174 K 4.5193 8.6356 122.2012 55.5376 34.0217 175.3735 175 L 4.9439 9.3743 126.1256 53.1264 44.0924 175.1037 176 Q 4.7656 9.3673 125.9710 54.5456 31.0277 173.9339 177 L 5.0524 8.8675 126.7176 52.9659 44.5419 175.3546 178 F 4.5379 9.2476 122.2464 55.8144 41.6238 174.9203 179 C 2.8375 6.6057 124.5516 59.9397 28.9131 172.1963 180 F 4.6497 8.2857 119.0177 56.1067 41.8504 176.5027 181 R 4.8162 8.5062 122.2860 54.9985 31.7001 174.9797 182 L 4.7346 8.9605 129.7810 54.9729 43.2812 175.7793 183 R 5.0641 9.3584 124.5182 54.4276 34.9489 174.0029 184 K 4.8466 8.5839 119.3998 54.5977 34.2587 176.0909 185 K 4.4502 8.2710 124.8330 55.3454 35.1813 175.7905 186 N 4.0317 8.3512 125.1946 55.1419 37.3661 175.8497 187 Q 4.3773 8.5432 121.4283 56.8951 29.0323 175.2866 *189 S 4.6590 7.7498 112.9195 58.4307 65.1167 174.0660 190 K 5.0226 9.0504 121.1627 55.2646 36.7283 174.6301 191 L 5.2668 8.6104 120.6798 53.1553 44.4123 175.6342 192 I 5.1288 8.7981 124.3848 59.3081 40.2321 175.4500 193 S 3.4625 8.9582 122.2847 59.6810 63.8646 172.7842 194 E 4.2091 9.3340 118.1753 57.6435 30.4205 177.0964 *196 H 4.5057 9.0865 119.4096 55.7607 31.3505 173.7021 197 S 4.6192 7.7991 115.9633 58.7118 63.4632 173.4495 198 F 4.8294 8.8872 123.1927 57.0045 43.0192 172.9194 199 I 4.9624 7.0775 123.4845 59.4508 41.1976 173.8757 200 Q 4.3652 8.5893 128.9029 54.1428 32.8318 173.8319 201 I 4.1252 8.3576 127.0712 61.1379 37.6810 175.8910 202 K 4.0844 8.9939 129.1055 56.2671 32.9435 176.9082 203 K 4.2036 8.5724 124.2628 56.8442 32.0491 176.9566 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 12 V 7.91 4.09 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 0.75 0.00 0.00 1.03 0.00 0.00 13 L 8.43 4.47 0.00 1.61 1.52 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 9.38 4.19 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.49 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 15 K 8.35 4.03 0.00 1.68 1.82 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.38 7.81 16 R 7.75 4.40 0.00 1.70 1.90 0.00 3.24 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 17 P 0.00 4.58 0.00 2.10 2.14 0.00 3.74 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 2.02 2.02 0.00 18 V 8.93 4.44 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 0.91 0.00 0.00 0.97 0.00 0.00 19 I 8.35 4.84 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 1.19 0.00 0.00 20 V 8.85 4.98 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 0.82 0.00 0.00 0.91 0.00 0.00 21 K 9.36 4.90 0.00 1.44 1.69 0.00 1.30 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.20 7.81 22 V 8.58 4.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.85 0.00 0.00 23 L 9.25 4.52 0.00 1.66 1.72 0.93 0.89 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 24 S 7.84 4.94 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.35 5.44 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 26 T 8.90 4.59 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 0.42 0.00 0.00 27 K 8.49 4.14 0.00 1.91 1.90 0.00 1.65 0.00 0.00 1.89 0.00 0.00 3.32 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.62 7.81 28 P 0.00 4.70 0.00 2.04 2.03 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 29 F 7.69 4.99 0.00 3.18 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 30 E 8.96 5.13 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 31 Y 8.80 5.14 0.00 3.19 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 32 E 8.79 5.20 0.00 1.90 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 2.19 2.26 0.00 33 T 8.39 4.33 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 1.27 0.00 0.00 34 P 0.00 4.35 0.00 2.20 2.24 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 2.00 2.00 0.00 35 E 7.60 4.04 0.00 1.98 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 2.32 2.28 0.00 *37 E 7.63 4.14 0.00 2.02 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 2.21 2.27 0.00 38 K 8.44 4.76 0.00 1.57 1.70 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.47 7.81 39 K 8.76 4.66 0.00 0.79 1.22 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 1.06 7.81 40 I 8.16 5.44 1.78 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 0.96 1.74 0.84 0.00 0.00 *42 F 8.33 4.39 0.00 3.19 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 43 H 9.04 5.31 0.00 2.96 3.44 0.00 5.56 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 9.04 5.40 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 45 T 9.23 5.16 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 1.29 0.00 0.00 46 V 9.02 5.20 2.22 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 0.92 0.00 0.00 1.16 0.00 0.00 47 A 9.19 5.26 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.43 4.60 4.10 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 1.40 0.00 0.00 49 Q 8.17 4.14 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.89 0.00 0.00 0.00 0.00 0.00 2.52 1.69 0.00 50 T 7.59 4.54 4.21 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 1.18 0.00 0.00 51 Q 7.67 4.43 0.00 1.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.81 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 52 F 7.95 5.32 0.00 2.98 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 53 F 9.11 4.63 0.00 2.86 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 54 H 8.67 5.01 0.00 2.96 2.99 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.86 4.80 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 1.00 0.00 0.00 1.07 0.00 0.00 56 K 9.07 4.30 0.00 1.63 1.52 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.42 7.81 57 V 7.95 3.84 0.67 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 0.18 0.00 0.00 -0.35 0.00 0.00 58 L 8.39 4.36 0.00 1.48 1.62 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.74 4.72 0.00 2.75 2.61 0.00 0.00 6.99 7.10 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 60 T 8.34 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 1.25 0.00 0.00 61 S 8.02 4.37 0.00 4.00 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 62 L 7.92 4.91 0.00 2.08 2.09 1.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.18 4.60 1.73 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.61 0.85 0.00 0.00 72 I 8.38 4.94 1.73 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.77 0.69 0.00 0.00 73 I 8.72 4.99 1.87 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 1.24 1.01 0.93 0.00 0.00 74 I 8.59 5.15 1.66 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 1.28 0.75 0.87 0.00 0.00 75 S 9.00 5.09 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.57 4.62 0.00 2.86 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 77 Y 7.17 4.96 0.00 3.18 3.05 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 0.00 78 L 8.61 5.07 0.00 1.94 1.90 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.61 5.27 0.00 2.13 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 2.27 2.43 0.00 80 Y 8.69 4.76 0.00 3.27 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 81 D 9.45 4.63 0.00 2.79 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 82 S 8.44 3.80 0.00 4.01 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 83 L 8.03 4.97 0.00 1.84 1.81 0.35 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.76 5.18 0.00 1.48 1.43 0.21 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.31 4.91 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 86 V 8.77 4.58 1.96 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 1.10 0.00 0.00 0.99 0.00 0.00 87 N 8.45 5.33 0.00 2.98 3.05 0.00 0.00 6.56 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 88 E 8.89 3.97 0.00 1.98 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 2.32 2.29 0.00 89 E 8.17 4.23 0.00 2.10 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 0.00 2.34 2.43 0.00 90 S 7.78 4.87 0.00 3.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.62 4.67 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 1.23 0.00 0.00 92 V 8.49 5.04 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 0.73 0.00 0.00 1.07 0.00 0.00 93 S 8.80 4.89 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 94 E 8.70 4.41 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 95 A 8.65 4.24 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 96 G 10.06 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 97 P 0.00 4.27 0.00 2.05 2.13 0.00 3.67 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 2.02 2.11 0.00 98 N 8.03 4.60 0.00 2.72 2.88 0.00 0.00 6.89 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 7.56 4.47 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 100 T 7.63 4.59 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 0.00 101 F 7.84 4.90 0.00 3.04 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 0.00 102 E 8.64 4.68 0.00 2.01 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 2.24 2.34 0.00 103 V 8.35 4.01 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 0.87 0.00 0.00 1.20 0.00 0.00 104 P 0.00 4.46 0.00 2.31 2.18 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 105 N 8.83 4.29 0.00 2.74 2.91 0.00 0.00 6.70 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 0.00 106 K 7.99 3.98 0.00 1.96 2.06 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 107 I 7.63 3.68 1.99 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 1.64 1.03 0.97 0.00 0.00 108 I 7.41 3.63 1.97 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 1.51 0.46 0.87 0.00 0.00 109 N 8.59 4.39 0.00 2.79 2.79 0.00 0.00 7.01 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.34 3.80 0.00 1.97 2.02 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 111 A 7.50 2.00 0.78 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 0.00 112 K 7.19 4.09 0.00 1.75 1.75 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.52 7.81 113 E 7.01 4.18 0.00 2.03 1.85 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 2.46 2.24 0.00 114 T 7.84 4.48 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 0.36 0.00 0.00 115 L 8.29 4.22 0.00 1.72 1.65 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.38 4.43 0.00 1.89 1.78 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.48 7.81 117 I 9.25 3.73 2.03 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 1.44 0.80 0.78 0.00 0.00 118 D 8.10 4.42 0.00 2.85 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.70 3.89 2.06 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 1.65 0.52 0.94 0.00 0.00 120 L 7.93 4.03 0.00 1.77 1.66 1.03 1.09 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 0.00 121 H 8.21 4.99 0.00 3.29 3.33 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.73 4.50 0.00 1.89 1.84 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.63 7.81 123 Q 7.27 4.24 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 124 A 8.30 4.18 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 0.00 125 S 8.57 4.19 0.00 3.86 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 0.00 126 G 9.06 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 0.00 127 N 7.85 4.62 0.00 2.67 2.81 0.00 0.00 6.76 7.08 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 0.00 128 I 8.30 4.88 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.90 1.03 0.00 0.00 129 V 9.29 4.62 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 1.19 0.00 0.00 1.00 0.00 0.00 130 Y 9.36 5.05 0.00 2.73 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 0.00 131 G 7.46 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 0.00 132 V 7.68 4.67 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 0.68 0.00 0.00 0.75 0.00 0.00 133 F 9.09 4.65 0.00 2.79 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 *135 L 8.50 4.34 0.00 1.89 1.62 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 136 H 9.50 4.58 0.00 3.21 3.47 0.00 6.04 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.55 4.62 0.00 1.80 1.70 0.00 1.36 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.50 7.81 138 K 8.58 5.06 0.00 1.51 1.79 0.00 1.49 0.00 0.00 1.77 0.00 0.00 2.74 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.39 7.81 139 T 8.50 4.41 4.17 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 1.20 0.00 0.00 140 V 8.35 4.07 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 0.80 0.00 0.00 0.87 0.00 0.00 141 N 8.53 5.05 0.00 2.82 2.75 0.00 0.00 7.02 7.87 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 0.00 142 Q 8.82 4.13 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 143 K 7.91 4.40 0.00 1.68 1.73 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.27 1.34 7.81 144 T 7.57 4.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 145 T 8.90 4.85 3.83 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 0.33 0.00 0.00 146 I 8.35 4.54 1.79 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 1.16 1.16 0.89 0.00 0.00 147 Y 8.86 4.84 0.00 2.81 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 0.00 148 E 9.60 4.73 0.00 2.02 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 2.30 2.26 0.00 149 I 8.24 4.92 1.79 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.40 0.83 0.00 0.00 150 Q 8.34 5.07 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 151 D 8.81 4.87 0.00 2.89 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 0.00 152 D 8.81 4.54 0.00 2.81 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 0.00 153 R 8.99 4.47 0.00 1.82 2.06 0.00 3.32 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 154 G 6.42 4.09 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 0.00 0.00 0.00 155 K 7.85 5.67 0.00 1.58 1.68 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.60 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 1.24 7.81 *157 D 8.38 4.57 0.00 2.62 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 0.00 158 V 8.90 4.80 2.17 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 0.87 0.00 0.00 0.65 0.00 0.00 159 V 9.34 4.70 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 0.99 0.00 0.00 0.96 0.00 0.00 160 G 9.58 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 0.00 161 T 8.81 5.07 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 1.22 0.00 0.00 162 G 8.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 9.06 4.20 0.00 2.37 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.93 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 164 C 8.47 4.51 0.00 3.21 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 0.00 165 H 8.21 4.82 0.00 3.27 3.46 0.00 6.08 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 N 8.93 4.14 0.00 2.34 2.73 0.00 0.00 7.28 7.48 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 0.00 167 I 7.71 3.94 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 0.86 0.00 0.00 168 P 0.00 4.36 0.00 2.19 2.08 0.00 3.84 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 2.00 1.97 0.00 169 C 8.22 4.90 0.00 3.06 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 0.00 170 E 9.01 4.62 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 171 E 8.60 4.15 0.00 1.93 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 2.30 2.49 0.00 172 G 8.84 4.10 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 0.00 0.00 0.00 173 D 7.81 4.50 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 K 8.64 4.52 0.00 1.67 1.68 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.44 7.81 175 L 9.37 4.94 0.00 1.43 1.36 0.64 -0.09 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 0.00 176 Q 9.37 4.77 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 1.62 2.13 0.00 177 L 8.87 5.05 0.00 1.57 1.06 0.80 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 178 F 9.25 4.54 0.00 3.01 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 0.00 179 C 6.61 2.84 0.00 2.83 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 F 8.29 4.65 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.51 4.82 0.00 2.02 1.94 0.00 3.17 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 182 L 8.96 4.73 0.00 1.79 1.56 0.99 0.87 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 0.00 183 R 9.36 5.06 0.00 1.69 1.77 0.00 3.32 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 184 K 8.58 4.85 0.00 1.63 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.36 7.81 185 K 8.27 4.45 0.00 1.66 1.66 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.42 7.81 186 N 8.35 4.03 0.00 2.90 2.08 0.00 0.00 7.15 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 Q 8.54 4.38 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 *189 S 7.75 4.66 0.00 3.81 3.83 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 0.00 190 K 9.05 5.02 0.00 1.89 1.85 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 191 L 8.61 5.27 0.00 1.55 1.67 0.51 0.69 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 0.00 192 I 8.80 5.13 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.93 0.00 0.00 193 S 8.96 3.46 0.00 3.38 3.65 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 0.00 194 E 9.33 4.21 0.00 1.84 1.62 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 2.17 2.16 0.00 *196 H 9.09 4.51 0.00 3.13 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 S 7.80 4.62 0.00 3.42 2.81 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 0.00 198 F 8.89 4.83 0.00 2.06 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 0.00 199 I 7.08 4.96 1.95 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.89 0.76 0.00 0.00 200 Q 8.59 4.37 0.00 2.12 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 201 I 8.36 4.13 1.86 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 1.20 0.62 0.95 0.00 0.00 202 K 8.99 4.08 0.00 1.67 1.69 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.40 7.81 203 K 8.57 4.20 0.00 1.82 1.74 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.