NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.1207 8.4293 118.9806 55.8606 31.2926 173.2102 0 S 3.7822 8.6033 110.8063 59.2789 63.7919 175.7137 1 M 3.1793 8.3639 121.1204 57.8447 34.3828 178.2002 2 V 4.8294 7.6191 115.2532 61.4334 34.7837 173.9055 3 D 5.2914 9.2392 124.0717 54.4548 42.7321 176.0959 4 F 5.2389 8.3274 120.4199 57.0724 43.0413 172.7852 5 F 4.9050 8.1108 126.4581 57.6202 43.1706 172.6137 6 T 4.6506 9.1045 120.6723 60.3811 71.4373 172.2917 7 I 4.7172 9.1403 128.0574 59.3529 40.2039 174.5935 8 F 5.3728 7.9980 121.4217 54.7883 41.7835 174.4419 9 S 4.7560 9.0140 115.1995 57.9957 63.9497 175.3243 10 K 4.0427 8.8345 120.8230 59.1585 31.7219 178.9588 11 G 3.5890 8.2445 107.9492 46.7705 0.0000 174.3563 12 G 3.9556 8.3098 107.7850 44.9168 0.0000 173.2926 13 L 4.1209 8.0446 123.3069 53.8691 42.2912 176.0068 14 V 4.0718 8.2755 126.8234 62.9720 31.9781 175.1150 15 L 4.2541 8.5029 127.6386 56.1968 43.0187 176.8531 16 W 4.8793 7.7138 125.3525 56.7294 33.8863 172.1839 17 C 4.3933 7.3063 118.7370 53.6926 45.4684 172.6799 18 F 4.5677 8.8864 123.2149 56.0730 42.1171 175.0730 19 Q 4.7758 7.2979 123.9448 54.7430 29.8927 174.5295 20 G 3.8626 5.6874 105.6279 45.7007 0.0000 171.9558 21 V 4.0345 8.0409 117.7602 63.0988 31.5011 177.3509 22 S 4.2787 7.8601 114.3628 59.6700 62.9032 173.3317 23 D 4.3331 6.9868 118.2666 53.8102 42.2264 174.2261 24 S 4.2695 8.6549 114.3856 58.0880 63.7991 173.9813 25 C 4.7803 8.4293 119.1226 56.1280 40.3382 173.7693 26 T 4.2300 8.4625 114.0268 61.0321 68.8423 173.1095 27 G 3.5390 8.8900 108.2122 44.6898 0.0000 170.3680 28 P 4.6468 0.0000 0.0000 62.9787 29.6756 176.6895 29 V 4.0983 7.4891 117.6033 65.7622 31.3307 177.8132 30 N 4.3149 8.0434 115.2309 56.0304 38.2835 177.1779 31 A 3.9573 7.7577 122.0568 54.9287 18.5227 179.2682 32 L 3.9343 8.2362 119.4186 58.1955 42.0974 179.3445 33 I 3.5794 7.8246 119.8799 64.4363 36.8551 178.6706 34 R 3.9312 8.0752 118.0352 59.0645 30.0451 178.7132 35 S 4.4135 8.2443 113.8594 60.0276 63.4064 174.7407 36 V 4.2569 7.6937 118.2039 64.0997 32.8866 176.9663 37 L 3.9640 7.6893 119.0541 57.5044 41.8793 178.4669 38 L 4.5692 7.7793 115.9615 55.2560 41.5049 176.8944 39 Q 4.7902 8.0420 116.4923 54.8411 30.9775 176.6240 40 E 5.0524 7.7537 122.3029 57.4250 31.5098 178.4696 *48 T 3.9689 8.4230 107.6531 61.4753 69.5116 172.3282 49 H 4.9120 7.6419 116.9551 53.4710 30.7717 174.4530 50 E 4.0965 8.5991 119.4417 56.4995 29.8414 175.7563 51 A 4.8917 8.1575 122.9787 50.4830 22.2548 175.7694 52 L 4.5634 9.1381 119.2363 55.9225 44.2759 176.0737 53 T 4.5181 7.3492 115.0814 61.7798 70.6094 173.6242 54 L 6.3000 9.2702 129.0215 53.7516 44.2113 175.1763 55 K 5.2363 9.6165 125.5088 55.2624 36.5156 174.3539 56 Y 5.5786 7.9939 117.4550 55.4087 42.1611 173.8712 57 K 4.7731 9.4653 120.1615 54.9200 36.0176 174.8333 58 L 5.3048 8.7585 125.0200 53.1279 45.0750 175.8146 59 D 4.8534 9.1238 121.1865 52.7596 42.5343 176.0570 60 N 4.4088 8.8783 123.8672 55.5363 39.3196 177.1571 61 Q 3.8176 8.2375 118.6609 58.8579 29.1011 176.6994 62 F 4.8328 7.9629 112.7762 56.5460 39.8970 175.7387 63 E 3.8102 8.1223 119.2883 57.8845 26.3597 173.2383 64 L 5.0828 8.3652 118.9098 52.7895 46.6435 177.6603 65 V 4.6187 7.9613 120.7627 61.0042 34.8288 174.1133 66 F 4.9989 9.4809 126.5672 55.6287 41.6760 174.3340 67 V 5.0744 8.7752 124.6835 60.9630 34.0955 174.6476 68 V 4.9978 9.2280 127.2089 59.8324 34.9469 174.5532 69 G 4.6988 9.5259 110.6551 45.3773 0.0000 171.8591 70 F 5.5019 8.1655 118.7513 55.7245 41.2847 173.8332 71 Q 4.3196 8.8791 118.2391 55.3541 30.5072 173.9434 72 K 3.7942 8.4685 123.0801 56.2787 28.8605 176.0600 73 I 3.9082 8.1740 123.8488 64.1913 37.6320 176.6728 74 L 4.3140 8.0014 117.7944 56.5652 41.8821 177.9611 75 T 4.4996 8.1114 109.5440 61.7345 69.1037 175.8140 76 L 3.6200 7.8475 124.8298 59.1358 41.8951 179.2115 77 T 3.7063 7.6477 114.7560 66.7950 68.4366 176.1700 78 Y 4.1229 7.4961 118.1251 60.9338 37.8711 178.5662 79 V 3.5074 7.7093 119.1910 66.1470 31.5992 177.8063 80 D 4.2980 8.4457 118.9055 57.3157 40.4887 179.0805 81 K 4.0003 7.9980 119.1266 59.2171 31.9961 179.0746 82 L 3.9698 8.1511 120.7515 58.1527 41.9541 179.1716 83 I 3.9832 8.1200 119.8778 64.6706 37.0746 178.0811 84 D 4.3751 8.1600 119.6216 57.6228 40.6462 178.7634 85 D 4.3674 8.5118 119.7007 57.2419 40.6934 179.0269 86 V 3.8455 8.1911 119.1204 66.0837 31.4638 177.6099 87 H 4.0942 8.6633 118.4282 59.3572 29.6080 177.3601 88 R 3.9049 8.1157 119.8860 59.2528 29.9545 178.9032 89 L 3.9980 8.0160 119.9560 58.0441 42.1721 178.6470 90 F 3.8211 8.7175 120.9541 61.4305 39.1612 177.1620 91 R 4.0772 8.5045 116.9600 58.9214 29.9590 177.7818 92 D 4.4855 7.6908 118.8458 56.7437 41.1295 178.5459 93 K 3.6570 8.1066 118.8646 58.5822 32.2096 176.7948 94 Y 4.8259 7.3294 115.5845 57.4274 38.9244 177.5382 95 R 3.5848 7.7559 123.6133 59.8749 29.2020 178.7793 96 T 4.0259 8.0087 113.8585 66.8431 68.6072 176.2427 97 E 4.3008 8.4301 118.4475 58.4063 29.6306 178.1833 98 I 4.2021 7.6270 111.2413 62.2196 38.3761 177.0634 99 Q 4.4407 7.9283 118.8470 58.5146 28.9102 176.8564 100 Q 4.2115 7.2129 115.0350 55.8247 29.3845 176.2834 101 Q 4.1071 8.6969 122.4082 58.9967 29.6085 176.9367 102 S 4.1860 7.9887 112.1668 58.1966 63.0592 174.6846 103 A 4.1410 8.6207 128.4066 54.8671 18.1773 179.7808 104 L 3.9786 7.7779 117.8389 58.1140 41.3743 179.5150 105 S 4.2761 8.0260 112.8435 61.0997 61.9680 175.9966 106 L 4.4201 7.7742 120.9720 57.0565 41.6215 178.9208 107 L 4.0561 8.2321 118.6075 57.4326 41.6610 177.6289 108 N 4.7275 8.7490 113.7550 53.0356 38.9579 175.4068 109 G 3.6559 7.5458 108.0654 44.6905 0.0000 173.5889 110 T 4.4424 7.8820 111.2165 59.9024 70.1696 175.3174 111 F 4.0214 8.5655 127.9307 55.8377 37.7065 175.7023 112 D 4.8532 7.9217 122.1960 53.0742 40.0959 175.6914 113 F 4.6953 8.3489 123.8468 57.8669 40.1525 175.7852 114 Q 4.3971 8.5537 118.9650 60.4619 28.7545 178.2964 115 N 4.3093 8.2271 116.2596 56.7140 38.8133 177.1284 116 D 4.1727 7.7391 119.3780 56.8093 40.6886 178.6358 117 F 3.5950 7.4568 121.3974 61.0949 39.3949 177.1606 118 L 3.6882 8.1624 119.0026 57.6775 41.3974 179.5319 119 R 3.7370 7.6927 118.4153 59.5596 30.0604 178.7154 120 L 3.9146 7.3952 118.2491 57.0532 41.4580 179.4034 121 L 3.5587 7.4280 120.9714 58.0349 41.8474 178.8547 122 R 3.8307 8.1069 117.4458 59.2788 29.6720 177.6035 123 E 4.0460 8.0854 118.8464 58.5655 29.2176 178.1209 124 A 4.1602 7.8051 120.4360 54.0525 18.3513 178.2929 125 E 4.6003 7.6413 116.6912 56.2755 29.8367 177.2713 126 E 4.4279 7.6369 119.6314 57.9477 30.8877 177.9846 127 S 4.3482 7.9367 112.6929 59.9065 63.2867 175.7742 128 S 3.3261 7.1475 117.2440 60.1080 63.2452 175.9215 129 K 3.6990 7.7468 121.8416 59.0572 31.9983 176.1418 130 I 3.8696 7.4578 122.7641 61.5982 36.9734 175.9696 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 -1 H 8.43 4.12 0.00 4.26 3.76 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 S 8.60 3.78 0.00 4.18 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 1 M 8.36 3.18 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 2 V 7.62 4.83 2.36 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 1.45 0.00 0.00 1.18 0.00 0.00 3 D 9.24 5.29 0.00 2.75 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 4 F 8.33 5.24 0.00 3.21 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 5 F 8.11 4.91 0.00 3.26 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 9.10 4.65 3.94 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 1.56 0.00 0.00 7 I 9.14 4.72 1.59 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.03 -0.30 0.00 0.00 8 F 8.00 5.37 0.00 2.97 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 9 S 9.01 4.76 0.00 3.90 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 10 K 8.83 4.04 0.00 1.67 1.92 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.26 7.81 11 G 8.24 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.04 4.12 0.00 1.72 1.53 0.93 0.88 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 14 V 8.28 4.07 2.02 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 0.81 0.00 0.00 0.78 0.00 0.00 15 L 8.50 4.25 0.00 1.15 0.57 0.53 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 W 7.71 4.88 0.00 3.49 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 17 C 7.31 4.39 0.00 2.60 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 18 F 8.89 4.57 0.00 2.53 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 0.00 0.00 0.00 0.00 19 Q 7.30 4.78 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 20 G 5.69 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 21 V 8.04 4.03 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 0.88 0.00 0.00 1.14 0.00 0.00 22 S 7.86 4.28 0.00 3.88 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 23 D 6.99 4.33 0.00 2.73 2.50 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 24 S 8.65 4.27 0.00 3.82 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 25 C 8.43 4.78 0.00 2.97 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 26 T 8.46 4.23 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 1.19 0.00 0.00 27 G 8.89 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.13 2.34 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 29 V 7.49 4.10 2.02 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 1.17 0.00 0.00 0.84 0.00 0.00 30 N 8.04 4.31 0.00 2.70 2.78 0.00 0.00 6.95 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.76 3.96 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.24 3.93 0.00 1.76 1.88 1.14 1.11 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 33 I 7.82 3.58 1.95 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 1.60 0.24 0.87 0.00 0.00 34 R 8.08 3.93 0.00 1.74 1.96 0.00 3.12 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 35 S 8.24 4.41 0.00 4.00 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 36 V 7.69 4.26 2.41 0.00 0.00 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 1.01 0.00 0.00 37 L 7.69 3.96 0.00 0.96 1.61 0.80 0.34 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 38 L 7.78 4.57 0.00 1.65 1.65 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.04 4.79 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 40 E 7.75 5.05 0.00 2.11 1.36 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 2.09 2.32 0.00 *48 T 8.42 3.97 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 1.14 0.00 0.00 49 H 7.64 4.91 0.00 3.26 3.54 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.60 4.10 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 51 A 8.16 4.89 1.27 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 52 L 9.14 4.56 0.00 1.67 1.61 0.93 0.92 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 53 T 7.35 4.52 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 1.08 0.00 0.00 54 L 9.27 6.30 0.00 2.23 1.54 -2.27 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 55 K 9.62 5.24 0.00 1.83 1.98 0.00 1.46 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.48 7.81 56 Y 7.99 5.58 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 9.47 4.77 0.00 1.79 1.63 0.00 1.41 0.00 0.00 1.46 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.38 7.81 58 L 8.76 5.30 0.00 1.63 1.70 1.04 0.90 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 59 D 9.12 4.85 0.00 2.91 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 60 N 8.88 4.41 0.00 2.75 2.85 0.00 0.00 7.11 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 61 Q 8.24 3.82 0.00 1.72 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.14 0.00 0.00 0.00 0.00 0.00 1.50 2.06 0.00 62 F 7.96 4.83 0.00 3.26 3.10 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 63 E 8.12 3.81 0.00 2.24 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 2.32 2.36 0.00 64 L 8.37 5.08 0.00 1.60 1.05 1.18 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.96 4.62 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 0.53 0.00 0.00 0.65 0.00 0.00 66 F 9.48 5.00 0.00 2.93 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 67 V 8.78 5.07 2.38 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 1.37 0.00 0.00 1.14 0.00 0.00 68 V 9.23 5.00 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 0.84 0.00 0.00 1.15 0.00 0.00 69 G 9.53 4.70 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 0.00 0.00 0.00 70 F 8.17 5.50 0.00 3.25 3.09 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 71 Q 8.88 4.32 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.38 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 72 K 8.47 3.79 0.00 2.11 2.01 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.47 7.81 73 I 8.17 3.91 1.89 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 1.68 1.30 0.95 0.00 0.00 74 L 8.00 4.31 0.00 1.73 1.77 0.96 0.88 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 75 T 8.11 4.50 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 76 L 7.85 3.62 0.00 2.10 1.80 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.65 3.71 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 0.91 0.00 0.00 78 Y 7.50 4.12 0.00 3.14 2.93 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 79 V 7.71 3.51 1.51 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 0.68 0.00 0.00 0.39 0.00 0.00 80 D 8.45 4.30 0.00 2.91 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 81 K 8.00 4.00 0.00 2.00 1.87 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.50 7.81 82 L 8.15 3.97 0.00 1.78 1.94 0.78 0.95 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 83 I 8.12 3.98 2.05 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 1.68 0.74 0.85 0.00 0.00 84 D 8.16 4.38 0.00 2.82 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 85 D 8.51 4.37 0.00 2.68 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 86 V 8.19 3.85 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.12 0.00 0.00 87 H 8.66 4.09 0.00 2.68 3.28 0.00 5.67 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 88 R 8.12 3.90 0.00 1.91 1.98 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 89 L 8.02 4.00 0.00 1.93 1.91 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.72 3.82 0.00 3.27 3.33 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 91 R 8.50 4.08 0.00 2.14 2.43 0.00 3.65 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 92 D 7.69 4.49 0.00 2.75 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 93 K 8.11 3.66 0.00 1.43 1.16 0.00 1.64 0.00 0.00 1.16 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 1.02 7.81 94 Y 7.33 4.83 0.00 2.81 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 95 R 7.76 3.58 0.00 1.80 1.83 0.00 3.06 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 0.00 96 T 8.01 4.03 4.20 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 1.19 0.00 0.00 97 E 8.43 4.30 0.00 2.10 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 0.00 2.02 2.25 0.00 98 I 7.63 4.20 1.95 0.00 0.00 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 1.42 -0.06 1.09 0.00 0.00 99 Q 7.93 4.44 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 100 Q 7.21 4.21 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 101 Q 8.70 4.11 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 102 S 7.99 4.19 0.00 3.92 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 0.00 103 A 8.62 4.14 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 0.00 104 L 7.78 3.98 0.00 1.68 1.76 0.93 1.16 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 0.00 105 S 8.03 4.28 0.00 3.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.77 4.42 0.00 1.88 1.73 0.94 0.84 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 0.00 107 L 8.23 4.06 0.00 1.78 1.77 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.75 4.73 0.00 2.72 2.85 0.00 0.00 6.98 7.52 0.00 0.00 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 G 7.55 3.66 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 0.00 110 T 7.88 4.44 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 1.21 0.00 0.00 111 F 8.57 4.02 0.00 3.20 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 0.00 112 D 7.92 4.85 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 0.00 113 F 8.35 4.70 0.00 3.00 1.76 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 0.00 114 Q 8.55 4.40 0.00 2.61 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 2.67 2.84 0.00 115 N 8.23 4.31 0.00 2.76 2.83 0.00 0.00 6.97 8.08 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 0.00 116 D 7.74 4.17 0.00 1.83 2.29 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 0.00 117 F 7.46 3.60 0.00 2.25 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 0.00 118 L 8.16 3.69 0.00 1.70 1.71 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.69 3.74 0.00 1.88 1.95 0.00 3.00 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 120 L 7.40 3.91 0.00 1.55 1.53 0.94 0.41 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 0.00 121 L 7.43 3.56 0.00 0.75 1.34 0.79 0.77 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 0.00 122 R 8.11 3.83 0.00 1.74 2.14 0.00 3.25 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 123 E 8.09 4.05 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 124 A 7.81 4.16 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 0.00 125 E 7.64 4.60 0.00 1.91 1.93 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 2.28 2.44 0.00 126 E 7.64 4.43 0.00 1.93 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 2.43 2.41 0.00 127 S 7.94 4.35 0.00 3.85 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 0.00 128 S 7.15 3.33 0.00 3.17 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 0.00 129 K 7.75 3.70 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.49 7.81 130 I 7.46 3.87 1.93 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 1.14 0.74 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.