NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3241 8.2644 123.5880 54.4826 19.8296 175.3996 2 S 4.5831 7.7503 106.8892 56.8016 64.5837 175.8921 3 N 5.0145 9.1806 121.7807 52.6593 39.2091 173.6232 4 F 5.0374 7.8928 121.9280 58.6029 39.2895 174.5133 5 E 4.4631 8.1302 120.3463 55.5261 31.7273 175.4697 6 E 5.1196 8.4976 120.0208 55.9399 31.2620 175.3569 7 F 4.9719 8.4522 118.5361 55.7972 41.9971 173.2870 8 V 4.0389 8.3952 113.5704 61.0923 31.4403 176.0229 9 L 4.1054 8.7654 128.3978 56.2265 42.7847 176.7594 10 V 4.0990 7.2666 118.3765 60.8545 33.0278 173.4865 11 D 5.0161 8.5396 127.2770 53.0800 40.6357 174.4822 12 N 4.6741 8.9805 122.2312 52.1334 38.8846 174.5531 13 G 3.6547 8.9306 112.8565 46.2469 0.0000 175.7523 14 G 4.0536 8.5263 113.5425 47.0071 0.0000 171.6493 15 T 4.6832 7.5044 117.6082 61.3693 65.3839 177.5464 16 G 3.9994 8.8551 103.9573 44.9915 0.0000 172.6755 17 D 4.4396 8.2873 119.7825 54.7676 41.8846 177.2070 18 V 3.9429 8.3477 122.6910 61.2925 32.4433 174.5211 19 K 4.6815 8.2236 127.9970 55.3321 34.0118 176.3302 20 V 4.4976 8.3757 123.2082 59.7678 34.2053 174.3956 21 A 5.2647 8.6040 123.9852 49.0969 22.9067 173.5801 22 P 3.9010 0.0000 0.0000 63.5632 31.1488 176.0621 23 S 4.5546 9.6806 121.2027 58.8374 62.8636 173.5336 24 N 4.4928 7.6041 114.0549 52.5708 39.9455 173.0730 25 F 5.0071 9.0408 123.0858 56.6106 40.1068 176.3545 26 A 4.7512 8.2610 135.0000 51.8525 17.1239 181.0401 27 N 4.5153 8.9356 116.0268 54.5230 37.2198 174.8925 28 G 3.7531 7.9725 106.5103 45.6089 0.0000 170.5366 29 V 4.6507 7.3076 120.4642 60.5478 33.4282 174.5370 30 A 3.6420 8.9176 131.3253 51.3450 19.3442 175.5737 31 E 5.2102 8.3078 122.0638 54.1596 33.0650 174.4753 32 W 5.2229 9.4827 126.1447 55.2299 32.9818 174.6681 33 I 5.2751 9.7779 124.6959 59.3361 40.6078 175.2902 34 S 4.8457 8.5473 121.5339 57.7375 63.7814 174.4113 35 S 4.1629 8.3889 117.7291 59.2315 63.3048 173.7045 36 N 4.3247 7.9665 119.7885 52.9063 38.5746 173.0280 37 S 3.9406 8.0284 114.5639 57.9331 62.1658 175.6210 38 R 3.6844 8.7892 127.2942 59.2519 29.8643 177.7445 39 S 4.2463 8.0849 111.4560 60.6181 63.4973 174.3425 40 Q 4.3855 8.5395 118.3932 54.6797 28.0318 173.5731 41 A 4.8980 7.2992 119.2142 50.7233 23.3631 176.8278 42 Y 4.3254 9.1621 117.3771 57.8786 39.6615 174.8926 43 K 5.1789 8.6007 122.0147 55.0557 36.5758 175.3048 44 V 5.0364 9.0082 126.1085 61.7449 34.8307 174.0544 45 T 5.9135 8.9861 117.9510 59.8417 72.2586 172.5897 46 C 5.7614 8.7595 120.5866 59.4282 35.4147 172.5859 47 S 5.0695 8.5173 117.8378 57.9163 65.9698 173.0208 48 V 4.6823 8.3555 122.9350 60.9760 33.3464 174.5501 49 R 4.6816 8.2927 123.0799 54.3236 33.4631 173.9855 50 Q 4.5535 8.4328 121.2312 55.6934 29.8248 173.9415 51 S 4.2047 9.0708 125.7029 58.9909 60.6384 176.7651 52 S 4.2548 9.1824 113.2691 57.8334 63.0606 173.3060 53 A 4.1938 8.4634 125.0574 53.9797 18.3168 177.8625 54 N 4.8122 8.0402 111.6456 52.5368 39.7800 173.2770 55 N 5.4828 8.0778 115.9984 51.5977 43.1202 173.6543 56 R 4.6368 8.8748 121.4012 54.6280 33.1700 175.7464 57 K 5.0085 8.9186 123.0738 55.0147 34.8758 175.1254 58 Y 4.3695 9.3419 125.9096 58.3912 39.8367 175.8299 59 T 4.9658 8.8520 118.3178 62.4905 72.6103 172.8300 60 V 4.9782 8.8674 127.4089 60.9444 34.0437 174.5356 61 K 5.2105 8.9723 126.6785 54.7032 35.6356 175.3218 62 V 4.9312 8.8169 122.5138 61.2738 35.4742 173.8736 63 E 4.8184 9.1972 126.1688 54.5602 32.8616 174.7203 64 V 4.1568 8.4529 125.4772 60.4211 33.5310 172.9481 65 P 4.8217 0.0000 0.0000 60.8851 34.1861 174.3566 66 K 3.8212 7.5161 122.4583 54.0119 33.8300 175.2591 67 V 3.5320 8.1251 127.9297 63.0463 31.8655 175.1226 68 A 4.2529 8.0169 130.3314 51.8678 18.9757 176.7417 69 T 4.4405 8.4467 118.4319 61.8644 71.2970 174.9054 *74 G 3.8429 8.2381 110.2890 45.8487 0.0000 173.8493 75 V 4.1821 7.6929 118.9585 60.9922 33.8309 175.2450 76 E 4.1732 8.5547 123.2164 56.1017 29.0082 173.7177 77 L 4.3681 7.4692 120.3480 52.7100 42.3333 173.9342 78 P 4.3266 0.0000 0.0000 63.6353 31.3742 176.1037 79 V 4.4260 8.2084 115.3610 60.7258 36.5947 171.7752 80 A 4.8020 8.2341 122.9516 50.0646 20.1902 177.1060 81 A 4.0300 8.3685 125.6582 54.7867 18.8508 177.2449 82 W 4.5925 6.5733 110.3495 56.4211 30.8904 173.7503 83 R 5.1450 9.1107 118.3587 54.4997 33.7633 174.8375 84 S 5.1091 9.3721 117.4241 57.0898 65.5847 172.3673 85 Y 5.1746 8.9769 120.8004 56.6068 39.7538 174.6844 86 M 4.6216 9.2449 124.7162 54.4269 34.9794 174.9241 87 N 5.2509 8.5265 122.9551 53.4232 40.9261 173.0282 88 M 5.0071 9.4835 124.5586 53.3683 35.1259 174.4403 89 E 5.1485 8.8243 119.1219 54.7124 32.4217 174.8739 90 L 4.7768 9.0104 127.3845 53.5187 44.5405 175.0440 91 T 5.2562 8.5523 122.0241 61.9675 71.4546 173.7696 92 I 4.6263 8.9219 126.0746 59.0392 41.3533 173.2541 93 P 4.9256 0.0000 0.0000 61.9955 31.8648 176.9348 94 V 3.5079 7.8957 121.7196 66.0842 31.4844 178.0973 95 F 4.5598 6.9571 113.9183 58.2698 38.5619 174.7445 96 A 4.4237 7.6749 125.3310 51.9081 18.9531 178.7901 97 T 4.3035 8.7685 114.0749 61.1964 71.3767 175.7760 98 N 4.3651 8.7136 119.1575 56.6190 38.3675 177.3882 99 D 4.3749 8.0669 119.9509 57.3642 40.9857 178.2835 100 D 4.3404 8.2623 119.5489 57.5537 40.8283 178.3740 101 C 3.9706 8.1561 116.9585 62.9133 28.0650 175.7223 102 A 3.9098 7.8079 121.7567 55.5254 17.8249 178.9016 103 L 3.7778 7.6470 117.6486 58.7160 42.0721 179.0517 104 I 3.6155 7.8464 119.1045 64.6092 37.1352 178.2176 105 V 3.4845 7.9794 118.9300 66.0707 31.1980 177.7919 106 K 4.0138 8.4543 119.2424 58.8424 31.8811 178.6475 107 A 4.0325 8.0347 120.7831 55.7213 18.3117 179.2562 108 L 3.7552 7.7946 116.9120 57.8769 41.2858 179.5379 109 Q 4.1468 8.4645 117.7917 59.6274 28.7780 179.7842 110 G 3.6708 8.8882 107.6135 48.0294 0.0000 175.3751 111 T 3.7354 8.0251 112.8935 63.7271 68.2137 175.1683 112 F 4.7112 7.3973 117.0164 56.2076 40.5398 176.0689 113 K 3.8988 7.9177 121.5355 56.5318 32.4938 175.9759 114 T 4.0759 8.3755 115.4925 63.4722 69.0397 172.4809 115 G 4.2108 8.9521 111.3444 46.1395 0.0000 174.6107 116 N 4.5854 8.0532 116.3379 52.9392 40.5373 173.4303 117 P 3.8076 0.0000 0.0000 65.8050 31.5247 178.3326 118 I 3.6775 7.8176 117.9430 64.9028 37.5581 177.8118 119 A 4.0904 7.5190 120.8829 55.7448 18.1993 179.9040 120 T 3.8984 8.4701 108.0701 64.8788 68.6518 176.0534 121 A 4.0832 8.6608 124.3368 54.8809 18.4449 179.1909 122 I 3.6610 7.9846 117.0304 64.6047 37.2735 178.2408 123 A 4.2960 7.8907 117.8823 53.4617 18.1689 177.4898 124 A 4.5520 7.8551 118.9940 50.7925 19.8089 175.6280 125 N 4.2385 8.2520 113.4357 55.0685 38.0082 173.9436 126 S 4.9772 8.1022 110.0329 56.1282 66.5214 175.1049 127 G 4.1317 8.4236 114.7499 45.7934 0.0000 173.1747 128 I 4.3508 8.0965 123.5064 60.2568 39.2866 175.1890 129 Y 4.4353 7.6270 119.7390 57.7291 37.2900 174.4055 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 A 8.26 4.32 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 2 S 7.75 4.58 0.00 3.95 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 3 N 9.18 5.01 0.00 2.89 2.93 0.00 0.00 6.03 7.43 0.00 0.00 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 7.89 5.04 0.00 2.73 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 5 E 8.13 4.46 0.00 2.17 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 0.00 2.36 2.40 0.00 6 E 8.50 5.12 0.00 2.02 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 2.25 2.44 0.00 7 F 8.45 4.97 0.00 3.04 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 8 V 8.40 4.04 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 0.62 0.00 0.00 0.97 0.00 0.00 9 L 8.77 4.11 0.00 1.06 1.42 0.91 0.83 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 10 V 7.27 4.10 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 0.87 0.00 0.00 0.64 0.00 0.00 11 D 8.54 5.02 0.00 2.61 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 12 N 8.98 4.67 0.00 2.83 2.78 0.00 0.00 6.94 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 13 G 8.93 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 14 G 8.53 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 0.00 0.00 0.00 15 T 7.50 4.68 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 1.32 0.00 0.00 16 G 8.86 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 0.00 0.00 0.00 17 D 8.29 4.44 0.00 2.45 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 3.94 1.64 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 -0.11 0.00 0.00 0.50 0.00 0.00 19 K 8.22 4.68 0.00 1.65 1.59 0.00 1.61 0.00 0.00 2.05 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.35 7.81 20 V 8.38 4.50 1.70 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 -0.04 0.00 0.00 0.99 0.00 0.00 21 A 8.60 5.26 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 22 P 0.00 3.90 0.00 1.32 0.49 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 23 S 9.68 4.55 0.00 3.72 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 0.00 24 N 7.60 4.49 0.00 2.80 2.87 0.00 0.00 5.62 8.12 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 25 F 9.04 5.01 0.00 2.96 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 26 A 8.26 4.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.94 4.52 0.00 2.74 2.73 0.00 0.00 6.76 8.44 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 28 G 7.97 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.31 4.65 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 1.00 0.00 0.00 1.01 0.00 0.00 30 A 8.92 3.64 0.36 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 0.00 0.00 31 E 8.31 5.21 0.00 2.00 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 2.25 2.35 0.00 32 W 9.48 5.22 0.00 3.57 2.88 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 33 I 9.78 5.28 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 0.94 0.00 0.00 34 S 8.55 4.85 0.00 3.91 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 35 S 8.39 4.16 0.00 3.86 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 36 N 7.97 4.32 0.00 2.86 2.86 0.00 0.00 6.92 7.63 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 37 S 8.03 3.94 0.00 3.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.79 3.68 0.00 1.75 1.98 0.00 3.30 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 39 S 8.08 4.25 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.54 4.39 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 41 A 7.30 4.90 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 42 Y 9.16 4.33 0.00 2.84 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 43 K 8.60 5.18 0.00 1.74 1.57 0.00 1.61 0.00 0.00 1.92 0.00 0.00 2.83 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.46 7.81 44 V 9.01 5.04 2.23 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 0.97 0.00 0.00 0.96 0.00 0.00 45 T 8.99 5.91 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 46 C 8.76 5.76 0.00 3.17 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.52 5.07 0.00 3.95 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 48 V 8.36 4.68 1.74 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 0.14 0.00 0.00 0.04 0.00 0.00 49 R 8.29 4.68 0.00 1.83 1.93 0.00 2.80 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 50 Q 8.43 4.55 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.14 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 51 S 9.07 4.20 0.00 3.87 3.40 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 52 S 9.18 4.25 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 53 A 8.46 4.19 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 54 N 8.04 4.81 0.00 2.74 2.74 0.00 0.00 6.88 6.92 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 55 N 8.08 5.48 0.00 2.60 2.64 0.00 0.00 6.88 7.70 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 56 R 8.87 4.64 0.00 1.93 1.79 0.00 3.05 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 57 K 8.92 5.01 0.00 1.79 1.64 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.46 7.81 58 Y 9.34 4.37 0.00 2.99 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 59 T 8.85 4.97 4.30 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 1.31 0.00 0.00 60 V 8.87 4.98 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 1.09 0.00 0.00 1.03 0.00 0.00 61 K 8.97 5.21 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 62 V 8.82 4.93 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 1.00 0.00 0.00 0.95 0.00 0.00 63 E 9.20 4.82 0.00 1.76 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 1.68 2.12 0.00 64 V 8.45 4.16 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 0.84 0.00 0.00 1.02 0.00 0.00 65 P 0.00 4.82 0.00 1.70 1.62 0.00 2.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.31 0.00 66 K 7.52 3.82 0.00 0.79 0.74 0.00 1.26 0.00 0.00 1.33 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.93 0.94 7.81 67 V 8.13 3.53 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 0.74 0.00 0.00 0.82 0.00 0.00 68 A 8.02 4.25 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.45 4.44 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 1.23 0.00 0.00 *74 G 8.24 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 75 V 7.69 4.18 2.18 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 0.87 0.00 0.00 0.92 0.00 0.00 76 E 8.55 4.17 0.00 2.13 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 2.16 2.33 0.00 77 L 7.47 4.37 0.00 1.61 1.56 0.91 0.92 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 78 P 0.00 4.33 0.00 1.95 1.97 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 79 V 8.21 4.43 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 0.80 0.00 0.00 0.91 0.00 0.00 80 A 8.23 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.37 4.03 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 82 W 6.57 4.59 0.00 3.48 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.11 5.14 0.00 1.65 1.36 0.00 3.17 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.00 84 S 9.37 5.11 0.00 3.97 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 85 Y 8.98 5.17 0.00 2.76 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 86 M 9.24 4.62 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 87 N 8.53 5.25 0.00 2.83 2.74 0.00 0.00 6.81 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 M 9.48 5.01 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 89 E 8.82 5.15 0.00 1.87 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 0.00 2.24 2.31 0.00 90 L 9.01 4.78 0.00 1.75 1.54 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.55 5.26 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 1.24 0.00 0.00 92 I 8.92 4.63 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.93 0.00 0.00 93 P 0.00 4.93 0.00 2.04 2.13 0.00 3.77 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 94 V 7.90 3.51 1.16 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 0.78 0.00 0.00 0.69 0.00 0.00 95 F 6.96 4.56 0.00 3.13 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 96 A 7.67 4.42 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 97 T 8.77 4.30 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 1.24 0.00 0.00 98 N 8.71 4.37 0.00 2.80 2.93 0.00 0.00 6.84 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 99 D 8.07 4.37 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 0.00 100 D 8.26 4.34 0.00 2.91 2.73 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 0.00 101 C 8.16 3.97 0.00 3.14 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 0.00 102 A 7.81 3.91 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 0.00 103 L 7.65 3.78 0.00 1.72 1.80 0.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.85 3.62 2.02 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 1.38 0.73 0.84 0.00 0.00 105 V 7.98 3.48 2.25 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 1.06 0.00 0.00 0.87 0.00 0.00 106 K 8.45 4.01 0.00 2.00 1.84 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.47 7.81 107 A 8.03 4.03 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 0.00 108 L 7.79 3.76 0.00 1.88 1.77 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.46 4.15 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 110 G 8.89 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.03 3.74 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 1.05 0.00 0.00 112 F 7.40 4.71 0.00 3.12 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 0.00 113 K 7.92 3.90 0.00 1.89 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.42 7.81 114 T 8.38 4.08 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 1.23 0.00 0.00 115 G 8.95 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 0.00 0.00 0.00 0.00 116 N 8.05 4.59 0.00 2.99 2.72 0.00 0.00 6.94 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 0.00 117 P 0.00 3.81 0.00 2.10 1.89 0.00 3.87 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 2.07 2.03 0.00 118 I 7.82 3.68 2.12 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 1.05 0.00 0.00 119 A 7.52 4.09 1.53 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 0.00 0.00 120 T 8.47 3.90 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 1.24 0.00 0.00 121 A 8.66 4.08 1.49 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 0.00 0.00 122 I 7.98 3.66 2.05 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 1.51 1.14 0.94 0.00 0.00 123 A 7.89 4.30 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 0.00 124 A 7.86 4.55 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 0.00 125 N 8.25 4.24 0.00 2.87 2.87 0.00 0.00 6.91 6.91 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 0.00 126 S 8.10 4.98 0.00 4.03 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 0.00 127 G 8.42 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.10 4.35 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 0.83 0.00 0.00 129 Y 7.63 4.44 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.