NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.5943 8.2493 122.4689 51.9673 20.1000 176.0423 4 S 4.5310 8.7673 115.9416 57.0074 65.3486 171.4378 5 I 5.2042 7.8977 121.9395 59.7725 40.5469 175.9671 6 R 4.6149 8.6128 121.1991 54.9745 33.1861 173.8303 7 D 4.9397 8.8061 119.1086 54.9103 41.3102 176.7895 8 A 4.4942 8.8533 124.0189 51.8393 19.6962 177.0230 9 G 4.2606 9.2782 108.7683 43.2211 0.0000 175.0625 10 V 2.9721 8.0394 111.7631 63.9559 31.1034 178.6060 11 A 4.0846 7.8029 118.8067 54.2843 18.6140 178.2124 12 D 4.5658 7.9429 116.4675 55.3049 41.0932 178.4711 13 L 4.0207 7.7826 121.0959 57.0858 41.7146 177.4338 14 P 4.3258 0.0000 0.0000 65.5247 31.2337 178.8171 15 G 3.6201 7.9876 105.3898 47.6471 0.0000 175.7292 16 I 3.6468 7.8427 122.2053 63.8071 37.0036 178.1118 17 L 3.8416 8.1367 121.3209 58.0954 41.7696 178.7825 18 A 4.0032 7.8101 120.0570 55.4344 18.4217 179.6501 19 I 3.7169 7.5553 118.2838 64.6040 37.1894 178.0802 20 Y 3.6574 8.1335 120.1959 60.8704 38.8662 177.7634 21 N 4.2599 8.4381 117.4146 56.2790 38.6999 176.9701 22 D 4.3775 7.9137 119.4072 57.1613 41.4592 178.1737 23 A 4.0468 7.6593 121.0947 55.3281 18.2196 180.0897 24 V 3.7458 7.3723 109.4152 63.4277 31.6172 177.9676 25 G 4.1039 7.4850 102.0722 44.7719 0.0000 173.6851 26 N 5.0616 7.8458 114.3404 52.7610 40.7107 173.2340 27 T 4.8472 8.0734 111.8921 60.8581 70.7782 173.1225 28 T 4.7021 8.4921 110.3132 61.3128 69.1967 175.2572 29 A 4.1053 8.0836 126.5336 54.4086 18.5914 178.2958 30 I 4.5304 7.6640 114.8971 59.1872 40.4929 175.4272 31 W 5.0164 8.5844 129.5372 57.2171 29.2222 175.7937 32 N 5.1256 8.0811 116.3225 52.2594 41.6269 175.3920 33 E 4.6860 8.6449 114.5948 55.7712 32.2344 176.4364 34 T 4.5130 7.6481 114.0197 62.3191 69.7949 173.0539 35 P 4.6159 0.0000 0.0000 62.3588 32.1825 175.5739 36 V 4.4424 8.8144 114.1361 59.6674 34.5316 174.1845 37 D 4.9730 7.9530 119.7675 51.1717 42.0822 176.7624 38 L 3.8865 8.4423 119.0641 58.3471 41.8489 178.4426 39 A 3.9768 8.0108 120.2105 55.1310 18.3343 178.9470 40 N 4.2413 8.2698 115.1786 57.0738 38.9920 177.4467 41 R 4.0994 7.7426 119.3162 59.0641 30.0955 178.8056 42 Q 3.9967 8.4654 119.6356 58.9829 28.9580 178.1033 43 A 4.0644 8.1497 122.0533 54.8431 18.4680 179.4108 44 W 4.1433 8.3490 126.8761 60.4949 30.5693 177.9583 45 F 3.4831 8.7664 121.0066 61.3069 38.9514 176.9358 46 D 4.3014 8.3460 118.3248 57.0571 40.4934 178.5603 47 A 3.9481 8.1494 121.4423 55.3475 18.4258 179.8549 48 R 3.7883 7.7417 116.2471 59.2887 29.6806 179.1706 49 A 3.7720 7.2562 120.4485 55.1554 18.1194 179.9003 50 R 3.8573 7.6298 115.0788 58.7268 30.2254 178.4244 51 Q 4.0585 7.4877 116.2692 55.5965 29.0052 176.9024 52 G 3.7640 7.1707 107.2893 45.6262 0.0000 172.7693 53 Y 4.8019 7.3310 117.3519 56.4358 39.0252 173.9100 54 P 4.4384 0.0000 0.0000 62.4498 33.7801 175.2836 55 I 4.6337 7.9532 120.6706 59.8669 40.3813 174.1918 56 L 5.1103 9.3289 127.9894 53.1853 44.3076 176.0762 57 V 4.9804 8.7555 121.5171 61.1610 34.8265 173.9398 58 A 5.0413 9.2060 130.2242 51.2444 20.2401 176.2218 59 S 4.6814 8.9275 116.7934 58.4359 66.4402 170.9033 60 D 4.8710 8.3801 116.3921 52.8240 41.1458 174.4865 61 A 3.9177 9.0066 120.6125 56.0182 18.2438 179.2926 62 A 3.9782 7.8862 117.0769 53.6092 18.4925 178.8153 63 G 3.9519 8.4553 102.8716 45.1665 0.0000 173.3326 64 E 4.3097 7.7308 117.9675 54.8406 30.6891 176.6217 65 V 3.8811 8.1727 121.3410 62.7794 31.1127 175.8839 66 L 4.3702 8.9533 128.6798 55.2101 42.3923 176.8292 67 G 4.5961 7.5161 105.6818 46.4522 0.0000 171.5187 68 Y 5.6950 8.5325 117.7293 56.1024 42.0555 173.4749 69 A 5.0931 9.3023 120.7390 51.6774 23.5103 174.9454 70 S 4.9101 9.0728 113.1118 59.0552 66.8333 173.2139 71 Y 5.3342 7.7793 118.6374 56.1570 41.5636 174.5726 72 G 3.6517 8.5784 105.9111 45.3608 0.0000 171.5982 73 D 4.8623 9.0147 119.2374 54.9567 41.4160 176.7914 74 W 4.5143 9.0105 133.5489 59.6671 31.1764 176.5571 75 R 4.1764 7.4044 114.7268 53.4405 33.4511 174.4324 76 P 4.4684 0.0000 0.0000 61.4045 30.0918 175.5117 77 F 5.1008 7.3775 118.6798 56.4897 43.7708 176.0532 78 E 4.1161 9.2463 122.9511 59.5919 29.4375 179.4397 79 G 3.6424 8.2750 105.6788 47.2218 0.0000 173.7430 80 F 4.8963 8.3059 118.4858 57.1879 39.2750 177.4555 81 R 4.1665 8.0087 118.3626 58.2324 29.2448 177.2918 82 G 4.0794 8.1292 105.3758 46.7355 0.0000 173.1874 83 T 5.2973 8.3438 117.6015 61.8084 71.2297 173.8880 84 V 4.7743 8.4912 117.8632 59.5322 36.1834 174.4290 85 E 4.9819 9.1023 122.9855 54.7960 32.4527 174.8817 86 H 5.7179 8.4810 121.9568 54.4459 31.6355 173.9353 87 S 4.5124 8.7437 112.1156 57.0441 66.3831 173.4005 88 V 4.5672 7.6893 122.0085 61.2313 34.4947 174.0380 89 Y 4.7142 8.6012 124.2974 56.2153 41.8393 174.2368 90 V 4.6600 8.3720 123.5426 60.6967 33.9297 175.2354 91 R 4.1087 8.8127 128.1547 56.3260 30.5439 177.0162 92 D 4.3482 9.0500 125.1542 56.9914 41.2984 176.6172 93 D 4.6766 8.0489 115.7315 53.7639 40.0121 176.5316 94 Q 4.5677 8.0814 118.4299 55.8372 29.2272 175.9369 95 R 4.1331 7.8104 117.2407 57.1167 30.8127 176.3896 96 G 3.9071 8.8457 107.1214 46.4176 0.0000 174.1462 97 K 4.4158 7.9229 115.3234 55.4720 32.9874 176.8970 98 G 3.9528 8.3144 106.2623 46.5800 0.0000 176.0687 99 L 4.1080 7.8863 122.1105 57.3111 41.5951 179.3298 100 G 3.6130 8.0667 105.3505 47.8877 0.0000 175.6958 101 V 3.5802 7.6947 120.2724 65.6455 31.7416 177.8516 102 Q 3.9980 7.7958 117.8418 59.0689 28.6500 179.0195 103 L 4.0247 8.0905 119.9334 57.6633 41.6984 179.3425 104 L 3.9144 7.9945 120.2646 58.3058 42.1541 178.9659 105 Q 4.0315 8.4409 118.0805 58.9767 28.6383 178.8022 106 A 4.0705 7.9829 121.3802 55.0468 18.3228 179.7228 107 L 4.1156 7.9979 117.4779 58.1117 41.6975 179.6802 108 I 3.7086 7.9405 119.7366 64.5235 36.9909 178.3912 109 E 3.9964 8.1616 118.9314 59.3810 29.3542 179.6396 110 R 3.9896 8.1611 117.9516 59.0699 30.1885 178.9288 111 A 4.2181 8.4869 122.3438 54.6408 18.4011 179.5648 112 R 3.7683 8.1762 117.0811 59.6851 29.9500 178.5905 113 A 4.0760 7.8348 119.1184 54.9817 18.4204 178.6853 114 Q 4.3576 7.8339 113.8603 55.7270 28.9323 176.5712 115 G 3.8952 7.9250 108.0233 46.2296 0.0000 174.2959 116 L 4.3101 7.6469 118.7122 54.6556 42.6441 176.2903 117 H 4.6274 9.0945 120.5682 57.9430 31.7557 174.1131 118 V 4.6248 6.9385 116.2739 60.5979 35.0874 173.7558 *120 V 4.1952 8.3290 116.8961 62.9402 32.9487 175.2306 121 A 4.8048 8.5255 127.0420 49.9209 22.1126 174.5963 122 A 4.6964 8.5283 123.9662 50.2773 20.8787 175.7098 123 I 4.2787 8.4827 123.3445 59.3522 40.8036 175.1259 124 E 4.4636 8.6525 127.5156 56.6492 29.8356 177.5776 125 S 4.2672 8.4815 124.0078 60.7483 63.1093 176.0473 126 G 3.7963 8.7227 107.5650 46.8024 0.0000 174.1833 127 N 4.6018 8.3882 121.2040 51.8710 37.5766 174.8079 128 A 4.0134 8.1293 124.3750 54.8054 18.8838 179.0740 129 A 3.9573 7.9242 118.7409 55.2739 18.5557 179.6589 130 S 4.0511 8.2896 111.6821 61.5552 62.4837 176.4787 131 I 3.7894 7.7848 122.4843 64.2424 36.8187 178.6679 132 G 3.6346 8.1918 106.6242 47.7379 0.0000 175.8120 133 L 4.0128 8.0537 121.4252 57.9622 41.6814 179.3634 134 H 4.0062 8.2798 116.1499 58.5528 28.5100 177.9105 135 R 4.2453 8.1011 122.0078 59.0733 29.7966 178.6653 136 R 3.9912 7.8967 116.8858 58.7948 30.0985 177.3923 137 L 4.4717 7.3268 116.5902 54.5146 42.0288 177.2809 138 G 4.0058 8.0752 107.3418 44.8657 0.0000 174.3610 139 F 4.5496 8.5502 118.9958 57.4403 40.3110 174.3717 140 E 4.8771 8.6582 120.1405 54.3687 33.1689 175.8320 141 I 4.1950 8.5616 124.7110 61.4991 37.5490 176.0061 142 S 4.7011 9.1093 120.2623 57.3321 64.1125 174.0532 143 G 4.2483 7.5788 107.2645 45.3298 0.0000 172.4802 144 Q 4.7939 8.3703 123.0284 53.3915 32.3708 172.1211 *146 P 4.3131 0.0000 0.0000 64.0968 32.2921 176.5663 147 Q 3.5468 9.2507 120.0766 57.0474 26.8200 175.3605 148 V 3.8786 7.3005 110.8051 62.1893 32.4379 176.0042 149 G 4.2665 7.7990 108.3316 43.9037 0.0000 171.2502 150 Q 4.7014 7.3175 114.2492 55.2491 31.1149 173.5654 151 K 3.7790 8.5237 117.1821 56.8960 35.5059 175.0437 152 F 4.1158 9.1385 122.6837 58.7934 36.3482 176.4526 153 G 3.8447 8.5457 106.3638 45.3801 0.0000 174.0930 154 R 4.4222 7.4284 114.8786 53.2570 32.5144 175.0233 155 W 4.9562 8.2490 119.0805 56.9971 30.1043 175.6220 156 L 4.9034 8.8916 121.2462 53.1066 45.1007 175.2475 157 D 5.2256 8.7266 121.2226 52.8216 43.4689 174.9350 158 L 5.1334 8.5306 123.2707 53.5782 44.7422 175.3439 159 T 4.7213 8.9498 122.4457 61.9504 71.2359 174.0049 160 F 5.5342 9.2231 125.4844 55.2597 42.1761 174.6621 *162 Q 4.4642 8.2653 116.8626 56.2004 30.3099 174.0558 163 L 4.4207 7.7787 121.2366 52.8996 44.3392 174.8902 164 N 4.6412 8.4570 125.0799 52.7839 38.9718 174.7686 165 L 4.0698 8.6224 127.0068 57.1703 42.1124 177.7131 166 D 4.6834 8.2163 117.9350 52.2736 42.4060 173.3209 167 P 4.2495 0.0000 0.0000 65.1031 31.7674 177.6116 168 T 4.1321 7.7553 105.2781 62.2181 69.2952 175.2519 169 R 4.2647 7.6270 124.8973 54.7145 28.5094 176.4447 170 S 4.1390 8.2963 118.3542 60.3861 63.2507 174.7427 171 A 4.5344 7.1139 121.1179 50.0875 22.1511 174.2184 172 P 4.3659 0.0000 0.0000 63.0790 31.4556 176.4774 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 3 A 8.25 4.59 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 4 S 8.77 4.53 0.00 3.93 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 5 I 7.90 5.20 1.90 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 1.44 0.71 0.96 0.00 0.00 6 R 8.61 4.61 0.00 1.91 2.01 0.00 2.88 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 7 D 8.81 4.94 0.00 2.59 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 8 A 8.85 4.49 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.28 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.04 2.97 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 0.38 0.00 0.00 0.82 0.00 0.00 11 A 7.80 4.08 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.94 4.57 0.00 2.87 2.74 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 13 L 7.78 4.02 0.00 1.69 1.65 0.70 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.33 0.00 2.24 2.28 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 15 G 7.99 3.62 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 0.00 0.00 0.00 16 I 7.84 3.65 1.84 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 1.11 1.00 0.04 0.00 0.00 17 L 8.14 3.84 0.00 1.78 1.84 0.96 1.17 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 18 A 7.81 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.56 3.72 2.28 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 1.08 0.00 0.00 20 Y 8.13 3.66 0.00 3.00 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 21 N 8.44 4.26 0.00 2.79 2.86 0.00 0.00 6.76 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.91 4.38 0.00 2.90 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 23 A 7.66 4.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.37 3.75 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 0.15 0.00 0.00 0.89 0.00 0.00 25 G 7.48 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 26 N 7.85 5.06 0.00 2.90 2.80 0.00 0.00 6.63 7.42 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 27 T 8.07 4.85 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 1.32 0.00 0.00 28 T 8.49 4.70 4.57 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 1.39 0.00 0.00 29 A 8.08 4.11 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 30 I 7.66 4.53 1.97 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 1.15 0.94 0.84 0.00 0.00 31 W 8.58 5.02 0.00 3.21 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 32 N 8.08 5.13 0.00 2.65 2.69 0.00 0.00 6.86 7.66 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 33 E 8.64 4.69 0.00 1.94 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 2.11 1.85 0.00 34 T 7.65 4.51 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 35 P 0.00 4.62 0.00 2.06 2.07 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 36 V 8.81 4.44 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 0.79 0.00 0.00 0.80 0.00 0.00 37 D 7.95 4.97 0.00 2.81 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 38 L 8.44 3.89 0.00 1.75 1.69 0.88 0.84 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 39 A 8.01 3.98 1.33 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 0.00 0.00 0.00 40 N 8.27 4.24 0.00 2.88 3.03 0.00 0.00 7.20 7.01 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 41 R 7.74 4.10 0.00 1.97 2.06 0.00 2.59 0.00 0.00 2.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 42 Q 8.47 4.00 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 43 A 8.15 4.06 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 44 W 8.35 4.14 0.00 3.39 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 45 F 8.77 3.48 0.00 3.26 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 46 D 8.35 4.30 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.15 3.95 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 48 R 7.74 3.79 0.00 1.44 1.86 0.00 3.16 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.00 49 A 7.26 3.77 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 50 R 7.63 3.86 0.00 1.89 1.94 0.00 3.13 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 51 Q 7.49 4.06 0.00 1.72 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.01 0.00 0.00 0.00 0.00 0.00 2.25 2.55 0.00 52 G 7.17 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 53 Y 7.33 4.80 0.00 2.78 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 54 P 0.00 4.44 0.00 1.97 2.05 0.00 2.57 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.69 0.00 55 I 7.95 4.63 1.66 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.30 0.99 0.00 0.00 56 L 9.33 5.11 0.00 1.62 1.63 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.76 4.98 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 1.04 0.00 0.00 1.07 0.00 0.00 58 A 9.21 5.04 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 59 S 8.93 4.68 0.00 3.90 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 60 D 8.38 4.87 0.00 2.91 2.77 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 61 A 9.01 3.92 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.89 3.98 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 63 G 8.46 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 64 E 7.73 4.31 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 65 V 8.17 3.88 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 0.97 0.00 0.00 1.03 0.00 0.00 66 L 8.95 4.37 0.00 1.78 1.73 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.52 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.53 5.69 0.00 3.36 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 69 A 9.30 5.09 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 70 S 9.07 4.91 0.00 4.17 4.06 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 71 Y 7.78 5.33 0.00 2.97 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 72 G 8.58 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 0.00 0.00 0.00 73 D 9.01 4.86 0.00 2.76 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 74 W 9.01 4.51 0.00 3.17 3.25 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 75 R 7.40 4.18 0.00 0.67 1.00 0.00 2.21 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 76 P 0.00 4.47 0.00 1.79 1.85 0.00 3.19 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.63 0.00 77 F 7.38 5.10 0.00 3.58 3.03 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 78 E 9.25 4.12 0.00 2.11 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 2.46 2.41 0.00 79 G 8.28 3.64 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 0.00 0.00 0.00 80 F 8.31 4.90 0.00 3.37 3.32 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 0.00 0.00 0.00 0.00 81 R 8.01 4.17 0.00 1.97 2.17 0.00 3.10 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 82 G 8.13 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 83 T 8.34 5.30 4.69 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 1.01 0.00 0.00 84 V 8.49 4.77 1.94 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 0.60 0.00 0.00 0.48 0.00 0.00 85 E 9.10 4.98 0.00 2.25 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 2.21 2.41 0.00 86 H 8.48 5.72 0.00 3.39 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.74 4.51 0.00 3.63 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 88 V 7.69 4.57 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 0.73 0.00 0.00 0.87 0.00 0.00 89 Y 8.60 4.71 0.00 2.55 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 90 V 8.37 4.66 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 0.85 0.00 0.00 0.93 0.00 0.00 91 R 8.81 4.11 0.00 2.11 1.83 0.00 3.20 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 92 D 9.05 4.35 0.00 2.70 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 93 D 8.05 4.68 0.00 2.83 2.77 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 94 Q 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4.01 1.33 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 0.00 0.00 0.00 129 A 7.92 3.96 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.29 4.05 0.00 4.02 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 0.00 131 I 7.78 3.79 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.91 0.00 0.00 132 G 8.19 3.63 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 0.00 133 L 8.05 4.01 0.00 1.82 1.67 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.28 4.01 0.00 3.24 3.04 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.10 4.25 0.00 2.21 1.96 0.00 3.16 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 136 R 7.90 3.99 0.00 1.86 2.10 0.00 3.36 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 137 L 7.33 4.47 0.00 2.05 1.84 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.08 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 0.00 0.00 0.00 139 F 8.55 4.55 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.66 4.88 0.00 1.82 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 2.24 2.23 0.00 141 I 8.56 4.19 1.90 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 1.42 0.50 0.98 0.00 0.00 142 S 9.11 4.70 0.00 3.88 3.89 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 0.00 0.00 0.00 143 G 7.58 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 0.00 0.00 0.00 144 Q 8.37 4.79 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 *146 P 0.00 4.31 0.00 2.23 2.19 0.00 3.90 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 147 Q 9.25 3.55 0.00 1.60 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 148 V 7.30 3.88 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 1.04 0.00 0.00 149 G 7.80 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 0.00 0.00 0.00 0.00 150 Q 7.32 4.70 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.70 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 151 K 8.52 3.78 0.00 1.18 1.14 0.00 1.21 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.21 7.81 152 F 9.14 4.12 0.00 3.18 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 0.00 153 G 8.55 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.43 4.42 0.00 1.91 1.90 0.00 2.77 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 155 W 8.25 4.96 0.00 3.28 2.97 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 0.00 156 L 8.89 4.90 0.00 0.65 1.21 -0.46 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.73 5.23 0.00 2.69 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 0.00 158 L 8.53 5.13 0.00 1.69 1.41 0.51 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 159 T 8.95 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 1.20 0.00 0.00 160 F 9.22 5.53 0.00 3.01 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 *162 Q 8.27 4.46 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 163 L 7.78 4.42 0.00 0.27 0.59 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.46 4.64 0.00 2.57 2.58 0.00 0.00 7.26 7.78 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 0.00 165 L 8.62 4.07 0.00 1.75 1.63 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.22 4.68 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.25 0.00 2.04 2.06 0.00 3.68 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 1.97 2.00 0.00 168 T 7.76 4.13 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 1.20 0.00 0.00 169 R 7.63 4.26 0.00 2.06 2.05 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 170 S 8.30 4.14 0.00 4.00 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 0.00 171 A 7.11 4.53 1.23 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 0.00 0.00 0.00 172 P 0.00 4.37 0.00 2.16 1.99 0.00 3.76 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.