NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 36 M 4.3757 8.3049 120.3230 55.8708 33.7108 175.2413 37 H 4.8006 8.2599 120.9923 54.1838 29.4536 172.7643 38 T 3.9078 8.5532 117.6769 64.1780 70.1800 173.5958 39 L 4.5055 8.7396 125.6662 53.1092 43.7629 175.5174 40 Y 4.9072 8.1278 118.5595 55.6659 40.5060 175.6753 41 A 3.9804 9.1808 128.2051 51.5085 18.7177 175.2326 42 P 4.4592 0.0000 0.0000 64.3187 31.6984 176.8205 43 G 3.7372 8.7729 111.1528 44.3064 0.0000 174.2331 44 G 3.7120 7.5179 108.5324 44.7330 0.0000 172.3658 45 Y 4.5676 8.0474 114.8282 56.1609 41.2017 176.6996 46 D 4.3976 7.9689 122.4322 52.7624 37.8283 176.8260 47 I 3.5497 7.1185 126.2632 64.9342 37.7403 177.9222 48 M 4.1093 7.9311 118.7642 58.5077 31.8476 179.0071 49 G 3.8297 7.9791 106.9960 47.3817 0.0000 175.3340 50 Y 4.5788 7.6965 118.8898 60.7646 37.9342 178.0724 51 L 4.1675 8.2856 120.3312 57.7997 41.6870 179.5712 52 I 3.7932 7.9178 119.9630 64.2118 36.8069 178.1713 53 Q 4.0222 8.0435 119.4750 59.3098 29.3379 178.1808 54 I 3.9382 8.1682 120.9956 64.8524 37.0215 178.4543 55 M 4.2158 8.0997 117.6648 57.4232 31.8093 177.4523 56 N 4.8413 7.5214 114.2842 51.5783 39.5399 175.2567 57 R 4.0601 7.2571 118.4455 55.3975 30.0296 174.8679 58 P 4.3730 0.0000 0.0000 65.4751 31.7296 176.4080 59 N 5.0730 7.7025 113.0538 50.2102 38.8645 172.7195 60 P 4.2946 0.0000 0.0000 63.5703 32.1136 177.1464 61 Q 4.2878 9.0800 121.0086 56.6367 29.4999 176.2625 62 V 4.4217 7.6329 116.1776 60.7390 34.3299 174.1675 63 E 4.4023 8.7242 126.2084 55.4215 30.4306 175.7614 64 L 4.2335 8.5305 124.3613 53.9871 44.0562 176.9402 65 G 3.8631 7.9935 105.5718 43.4587 0.0000 170.7024 66 P 4.4307 0.0000 0.0000 62.8656 31.7858 176.0519 67 V 4.6554 7.9657 112.8336 60.1863 35.7716 174.5368 68 D 4.6718 8.2051 119.4325 53.2103 41.3187 175.1824 69 T 4.4091 8.5357 109.9588 62.7151 68.9557 174.2956 70 S 4.3516 8.6276 116.8531 59.0508 63.5864 174.0045 *72 A 4.5003 7.9895 122.7670 53.0129 19.9687 176.5144 73 L 5.6925 8.8616 121.3779 54.8454 44.5848 174.8904 74 I 4.9109 7.7350 111.5226 59.5755 41.2827 172.9565 75 L 5.0750 8.7229 124.9520 53.4855 44.9763 174.8436 76 C 5.2503 8.7880 123.1960 57.9187 31.9498 172.8672 77 D 4.7134 9.0899 123.4205 53.1979 40.8147 177.1205 78 L 4.0144 8.6844 127.8585 57.2432 41.7599 178.6231 79 K 4.3175 7.8786 115.5922 56.2775 32.5706 176.2589 80 Q 4.6211 7.4578 118.4248 53.0979 31.2538 174.5928 81 K 3.8307 8.6240 120.4686 58.2486 32.3350 175.8046 82 D 4.1430 8.7736 126.0871 58.6416 39.9825 173.9114 83 T 4.2443 7.7997 105.7211 61.4245 66.0050 169.5423 84 P 4.7029 0.0000 0.0000 62.5978 33.6941 177.1115 85 I 4.3874 8.3637 122.5081 61.4935 37.8271 176.7607 86 V 4.7669 8.3768 119.7741 61.1075 32.9023 175.1496 87 Y 4.6143 7.3064 119.0215 56.6888 42.0110 172.5851 88 A 4.7795 7.3007 127.0233 49.9496 22.1580 176.0786 89 S 4.1974 8.6108 117.4242 57.8213 64.4290 175.4750 90 E 4.0174 8.9612 120.0620 59.5815 29.1047 179.5098 91 A 4.1611 8.0962 120.4460 54.9565 18.4769 179.3384 92 F 4.1175 8.1957 119.1830 61.5373 39.5229 177.4560 93 L 4.0389 8.0816 118.2275 57.8868 41.2471 178.7332 94 Y 4.3122 8.0719 118.9483 60.9102 38.8179 177.2875 95 M 3.7592 8.0364 118.7148 58.2194 32.6138 177.6443 96 T 4.1757 7.8261 109.2752 61.9128 69.3001 176.6514 97 G 3.8773 8.1138 109.4786 45.3155 0.0000 173.1534 98 Y 4.4734 7.5287 116.8777 57.0805 38.7890 175.3183 99 S 4.6723 8.7578 117.1056 56.8335 65.5645 174.7258 100 N 4.3260 8.6634 117.4436 56.6888 38.8288 176.8174 101 A 4.0546 7.9385 119.8728 54.9871 18.6537 178.2400 102 E 4.1550 7.9047 114.5281 58.2957 30.1777 178.1294 103 V 3.9115 7.4836 110.8091 62.5761 32.9452 176.5364 104 L 4.2498 7.4151 118.3738 56.5582 41.7773 177.8639 105 G 4.0841 9.3992 110.8032 45.7040 0.0000 173.3997 106 R 4.7143 7.5342 118.1171 53.7785 32.6923 174.8409 107 N 4.7509 8.5006 119.0411 53.3399 39.8429 175.6311 108 C 4.1154 8.7976 124.6616 61.7197 31.5775 175.5511 109 R 4.0002 8.4364 117.7106 58.7645 28.8339 178.3676 110 F 4.3207 7.7789 114.7613 59.7488 37.6344 177.1279 111 L 4.1037 6.8110 118.8669 57.0651 41.1364 178.5572 112 Q 4.2977 7.9074 116.8229 56.4818 29.1648 175.9316 113 S 4.7328 7.6077 115.0116 55.2928 65.3352 172.7120 114 P 4.2100 0.0000 0.0000 64.7529 31.0093 176.4840 115 D 4.7914 7.6768 116.3398 52.2108 39.4610 176.1837 116 G 4.6796 8.4564 106.8428 46.0172 0.0000 174.1022 117 M 4.5163 8.5002 119.8319 52.9826 32.5328 175.5281 118 V 4.2938 8.0380 122.3939 60.5894 33.8348 175.1966 119 K 4.2750 8.4515 127.4103 55.0081 32.8685 175.2897 120 P 4.4157 0.0000 0.0000 64.0708 31.7066 177.3186 121 K 3.9490 8.7688 117.7846 56.9097 30.5826 176.6550 122 S 4.1930 7.6625 113.3120 58.4056 63.4179 174.4014 123 T 4.2817 8.1071 119.0116 62.0693 67.9673 175.2625 124 R 4.0226 8.3944 126.2538 56.2264 30.6001 177.2513 125 K 4.1886 8.1960 119.1354 57.2917 33.4541 176.4845 126 Y 4.9769 7.7235 115.0741 57.5648 39.2600 175.1957 127 V 4.4208 7.5104 119.0274 59.8621 34.7260 174.8956 128 D 4.3639 8.7038 125.3701 54.7242 41.8851 177.1469 129 S 4.1126 8.7726 123.6594 61.9004 62.9783 176.1825 130 N 4.3046 8.3931 119.6022 56.7433 38.6383 177.0731 131 T 3.8487 8.0429 116.7301 66.8451 68.6810 176.4799 132 I 3.7131 7.7087 121.6210 64.4042 37.0735 178.1024 133 N 4.3766 8.4269 118.0086 56.6350 38.7279 177.2477 134 T 3.8546 8.0264 117.4252 66.7570 68.4920 176.4487 135 M 4.0067 7.9052 120.5021 58.4135 32.0294 178.6870 136 R 3.8452 7.8986 118.6879 59.6131 30.3685 178.7480 137 K 4.0122 8.2632 117.9342 59.0469 31.9173 179.2854 138 A 3.9483 8.0898 121.1946 55.2023 18.3546 179.6897 139 I 3.5601 7.8704 118.3845 64.7802 37.0002 178.4422 140 D 4.4092 7.9099 118.1466 56.8182 40.6732 178.1398 141 R 4.3418 7.6181 115.3277 54.8189 30.5740 175.7927 142 N 3.8835 7.7728 114.8622 54.0881 36.7684 173.5330 143 A 4.7009 7.7887 118.7814 49.8895 20.9756 177.9122 144 E 4.3415 8.7213 121.9367 56.7173 30.3405 176.7462 145 V 4.6160 8.3887 121.9795 60.5046 35.7525 173.9733 146 Q 4.8803 8.3671 121.8023 55.3052 31.9726 173.7039 147 V 4.6632 8.8676 118.6877 60.3319 37.2407 173.1962 148 E 5.2964 8.8012 120.5035 54.8087 31.7461 176.4287 149 V 4.4518 8.6000 123.9146 59.4795 35.0037 175.0992 150 V 3.8439 8.3108 123.8377 63.0103 32.1470 174.5598 151 N 4.9709 7.9215 123.8960 51.2517 43.2102 173.0482 152 F 5.4210 8.8195 117.7512 55.9202 42.6915 175.6855 153 K 4.5770 9.4915 122.8968 55.6134 33.0487 177.9055 154 K 3.0542 9.1004 123.3523 58.7291 31.8438 177.3083 155 N 4.5196 7.9393 112.7444 52.9332 37.3186 175.8125 156 G 3.9664 8.8623 108.9310 45.2204 0.0000 173.8162 157 Q 4.1500 7.8768 122.2083 56.2538 30.0008 175.0523 158 R 4.6602 8.7856 127.5237 56.1289 31.3465 174.9549 159 F 4.8884 8.2974 119.4356 55.9720 42.3244 172.7215 160 V 4.2560 8.4016 119.0477 61.3184 33.2959 173.6351 161 N 5.1896 8.7511 127.9412 52.3468 40.5211 173.6836 162 F 5.1443 9.7921 130.9220 57.4331 40.0928 173.4384 163 L 5.0017 8.6980 129.0873 53.4351 44.3919 175.0457 164 T 4.9808 8.7418 122.1770 61.9605 72.0537 172.7320 165 M 5.2596 8.8017 125.0837 53.5872 35.7506 174.6994 166 I 4.8505 8.8617 124.0697 58.5477 40.9054 173.4183 167 P 4.7019 0.0000 0.0000 62.8848 32.2699 175.8503 168 V 4.5707 8.9891 121.2396 61.3061 34.8048 174.4842 169 R 4.8514 8.7666 126.7340 55.7528 31.3422 176.3796 170 D 5.1836 8.1957 123.2631 52.3614 41.9698 176.5513 171 E 4.0976 8.9874 117.2631 60.0449 29.5268 178.2577 172 T 3.9939 8.1085 107.7822 62.7338 69.1345 175.7312 173 G 3.9077 8.3349 110.7098 45.0220 0.0000 172.9775 174 E 4.4910 7.4161 118.6327 53.9880 32.0376 175.0152 175 Y 4.6336 8.0497 118.8544 58.6757 38.5261 176.1034 176 R 4.3021 9.0296 122.6535 56.8011 33.7698 173.8773 177 Y 5.4251 7.6857 114.2222 56.0020 42.7391 174.3625 178 S 4.9557 8.7717 113.5293 57.0249 66.2531 172.0182 179 M 4.8983 9.2824 127.0443 53.7039 34.4653 174.4516 180 G 4.3542 8.7746 113.5092 44.3831 0.0000 172.0229 181 F 5.2468 9.4816 122.8251 55.6323 41.5503 174.3087 182 Q 5.1154 9.1403 123.7119 54.3050 30.9747 175.0409 183 C 4.8349 8.8781 122.8972 57.5514 35.1707 172.4137 184 E 4.6065 8.8575 127.9466 56.9266 29.9829 176.5815 185 T 3.5992 9.1370 123.5090 63.9270 69.8580 171.6221 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 36 M 8.30 4.38 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 37 H 8.26 4.80 0.00 3.17 3.21 0.00 5.97 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.55 3.91 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 0.94 0.00 0.00 39 L 8.74 4.51 0.00 1.48 1.54 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.13 4.91 0.00 3.05 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 41 A 9.18 3.98 0.81 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 0.00 0.00 42 P 0.00 4.46 0.00 2.18 2.09 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 43 G 8.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.52 3.71 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 0.00 0.00 0.00 45 Y 8.05 4.57 0.00 2.72 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 46 D 7.97 4.40 0.00 2.49 1.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.12 3.55 1.60 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 -0.36 0.73 0.00 0.00 48 M 7.93 4.11 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 49 G 7.98 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 0.00 0.00 0.00 50 Y 7.70 4.58 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.29 4.17 0.00 1.91 1.81 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.92 3.79 2.04 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 1.43 1.28 0.93 0.00 0.00 53 Q 8.04 4.02 0.00 2.29 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 54 I 8.17 3.94 2.15 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.11 0.98 0.00 0.00 55 M 8.10 4.22 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 56 N 7.52 4.84 0.00 2.81 2.86 0.00 0.00 7.00 8.63 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 57 R 7.26 4.06 0.00 2.00 2.01 0.00 3.17 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.60 0.00 58 P 0.00 4.37 0.00 2.21 2.26 0.00 3.74 0.00 0.00 3.68 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 59 N 7.70 5.07 0.00 2.70 2.77 0.00 0.00 6.89 8.02 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 60 P 0.00 4.29 0.00 2.17 2.08 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 61 Q 9.08 4.29 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 62 V 7.63 4.42 2.06 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 0.85 0.00 0.00 0.93 0.00 0.00 63 E 8.72 4.40 0.00 1.98 1.86 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 2.27 2.34 0.00 64 L 8.53 4.23 0.00 1.36 1.44 0.57 -0.20 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 65 G 7.99 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 66 P 0.00 4.43 0.00 2.20 2.07 0.00 3.71 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 1.99 1.99 0.00 67 V 7.97 4.66 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 0.59 0.00 0.00 0.99 0.00 0.00 68 D 8.21 4.67 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 69 T 8.54 4.41 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 1.25 0.00 0.00 70 S 8.63 4.35 0.00 4.01 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 *72 A 7.99 4.50 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.86 5.69 0.00 1.42 1.50 1.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.73 4.91 1.59 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.83 -0.25 0.00 0.00 75 L 8.72 5.08 0.00 1.62 1.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.79 5.25 0.00 2.86 2.94 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 77 D 9.09 4.71 0.00 2.84 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 78 L 8.68 4.01 0.00 1.75 1.66 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.88 4.32 0.00 1.77 1.78 0.00 1.49 0.00 0.00 1.60 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.39 7.81 80 Q 7.46 4.62 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 81 K 8.62 3.83 0.00 1.68 1.77 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.53 7.81 82 D 8.77 4.14 0.00 2.79 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 83 T 7.80 4.24 4.22 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 1.20 0.00 0.00 84 P 0.00 4.70 0.00 2.16 2.16 0.00 4.00 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 85 I 8.36 4.39 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.89 0.88 0.00 0.00 86 V 8.38 4.77 2.26 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 0.79 0.00 0.00 0.23 0.00 0.00 87 Y 7.31 4.61 0.00 2.93 2.49 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 88 A 7.30 4.78 1.03 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 89 S 8.61 4.20 0.00 4.04 4.15 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 0.00 0.00 0.00 0.00 90 E 8.96 4.02 0.00 2.06 2.06 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 2.40 2.39 0.00 91 A 8.10 4.16 1.48 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 0.00 0.00 92 F 8.20 4.12 0.00 3.12 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.08 4.04 0.00 1.95 1.93 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.07 4.31 0.00 2.95 3.15 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 0.00 0.00 0.00 0.00 95 M 8.04 3.76 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.15 0.00 96 T 7.83 4.18 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 97 G 8.11 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 98 Y 7.53 4.47 0.00 3.18 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 99 S 8.76 4.67 0.00 4.03 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.66 4.33 0.00 2.73 2.82 0.00 0.00 6.79 8.74 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 0.00 101 A 7.94 4.05 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 0.00 102 E 7.90 4.15 0.00 2.05 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 2.38 2.32 0.00 103 V 7.48 3.91 2.37 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 1.24 0.00 0.00 1.11 0.00 0.00 104 L 7.42 4.25 0.00 1.74 1.68 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 105 G 9.40 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 0.00 106 R 7.53 4.71 0.00 1.98 1.86 0.00 2.91 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 107 N 8.50 4.75 0.00 2.98 2.73 0.00 0.00 6.63 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 0.00 108 C 8.80 4.12 0.00 2.97 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 0.00 109 R 8.44 4.00 0.00 2.08 2.28 0.00 3.05 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 1.75 1.70 0.00 110 F 7.78 4.32 0.00 3.52 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 6.81 4.10 0.00 1.44 1.64 0.90 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.91 4.30 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 113 S 7.61 4.73 0.00 3.88 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 0.00 114 P 0.00 4.21 0.00 1.96 1.43 0.00 3.49 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.23 0.00 115 D 7.68 4.79 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 0.00 116 G 8.46 4.68 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 0.00 0.00 0.00 117 M 8.50 4.52 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.82 0.00 118 V 8.04 4.29 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 0.87 0.00 0.00 1.07 0.00 0.00 119 K 8.45 4.28 0.00 1.83 1.71 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.41 7.81 120 P 0.00 4.42 0.00 2.04 2.01 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 121 K 8.77 3.95 0.00 1.91 1.95 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 122 S 7.66 4.19 0.00 3.99 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 0.00 123 T 8.11 4.28 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 0.00 124 R 8.39 4.02 0.00 1.78 1.88 0.00 3.24 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 125 K 8.20 4.19 0.00 1.42 1.64 0.00 1.28 0.00 0.00 1.42 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 0.35 7.81 126 Y 7.72 4.98 0.00 3.23 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 0.00 127 V 7.51 4.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.08 0.00 0.00 128 D 8.70 4.36 0.00 2.75 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 0.00 0.00 0.00 0.00 129 S 8.77 4.11 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 0.00 130 N 8.39 4.30 0.00 2.85 2.95 0.00 0.00 7.24 7.32 0.00 0.00 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 T 8.04 3.85 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 1.25 0.00 0.00 132 I 7.71 3.71 1.86 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 1.40 0.73 0.90 0.00 0.00 133 N 8.43 4.38 0.00 2.82 2.93 0.00 0.00 7.19 6.73 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 0.00 134 T 8.03 3.85 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 135 M 7.91 4.01 0.00 2.05 2.22 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 2.78 2.52 0.00 136 R 7.90 3.85 0.00 1.87 2.15 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 137 K 8.26 4.01 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.61 7.81 138 A 8.09 3.95 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 0.00 139 I 7.87 3.56 1.96 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 1.47 0.88 0.86 0.00 0.00 140 D 7.91 4.41 0.00 2.77 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 0.00 141 R 7.62 4.34 0.00 1.89 1.92 0.00 3.36 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 142 N 7.77 3.88 0.00 2.68 2.14 0.00 0.00 6.75 7.00 0.00 0.00 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 A 7.79 4.70 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.72 4.34 0.00 1.84 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 2.28 2.28 0.00 145 V 8.39 4.62 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 0.65 0.00 0.00 0.91 0.00 0.00 146 Q 8.37 4.88 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 147 V 8.87 4.66 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 0.64 0.00 0.00 0.91 0.00 0.00 148 E 8.80 5.30 0.00 1.84 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 2.38 2.41 0.00 149 V 8.60 4.45 2.03 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 0.83 0.00 0.00 0.85 0.00 0.00 150 V 8.31 3.84 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 0.33 0.00 0.00 0.84 0.00 0.00 151 N 7.92 4.97 0.00 1.44 2.18 0.00 0.00 6.35 7.74 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 0.00 152 F 8.82 5.42 0.00 3.11 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 0.00 153 K 9.49 4.58 0.00 1.72 1.77 0.00 1.53 0.00 0.00 1.34 0.00 0.00 2.24 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.33 1.54 7.81 154 K 9.10 3.05 0.00 0.79 1.39 0.00 1.27 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.16 0.82 7.81 155 N 7.94 4.52 0.00 2.83 2.83 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.86 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 0.00 0.00 0.00 157 Q 7.88 4.15 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 158 R 8.79 4.66 0.00 2.06 1.87 0.00 3.35 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.00 159 F 8.30 4.89 0.00 3.05 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 0.00 160 V 8.40 4.26 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 0.98 0.00 0.00 0.88 0.00 0.00 161 N 8.75 5.19 0.00 2.51 2.64 0.00 0.00 6.37 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 0.00 162 F 9.79 5.14 0.00 3.25 3.16 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 0.00 163 L 8.70 5.00 0.00 1.95 1.43 0.94 0.72 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 0.00 164 T 8.74 4.98 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 1.21 0.00 0.00 165 M 8.80 5.26 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 166 I 8.86 4.85 2.02 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 1.44 1.09 0.97 0.00 0.00 167 P 0.00 4.70 0.00 1.01 1.59 0.00 3.61 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 168 V 8.99 4.57 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 0.23 0.00 0.00 0.94 0.00 0.00 169 R 8.77 4.85 0.00 1.72 1.75 0.00 3.13 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.38 0.00 170 D 8.20 5.18 0.00 3.15 3.11 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 0.00 171 E 8.99 4.10 0.00 2.04 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 0.00 2.40 2.30 0.00 172 T 8.11 3.99 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 0.00 173 G 8.33 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 0.00 174 E 7.42 4.49 0.00 1.96 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 0.00 2.15 2.18 0.00 175 Y 8.05 4.63 0.00 2.97 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 0.00 176 R 9.03 4.30 0.00 1.69 1.53 0.00 2.74 0.00 0.00 2.94 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 177 Y 7.69 5.43 0.00 2.73 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 0.00 178 S 8.77 4.96 0.00 3.81 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 0.00 179 M 9.28 4.90 0.00 2.03 1.77 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.52 0.00 180 G 8.77 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 0.00 181 F 9.48 5.25 0.00 2.82 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 0.00 182 Q 9.14 5.12 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.61 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 183 C 8.88 4.83 0.00 3.10 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 0.00 184 E 8.86 4.61 0.00 1.92 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 2.28 2.07 0.00 185 T 9.14 3.60 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.