NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2403 8.2644 123.5811 50.9795 20.5448 176.5001 2 K 3.5581 8.0595 118.2946 55.5931 32.1994 174.6543 3 L 4.0835 9.3046 129.7840 55.4501 41.6884 174.3690 4 E 4.9990 8.1368 125.8036 54.0746 32.9746 175.3467 5 T 4.3590 8.4011 110.2944 62.0157 70.1521 174.3513 6 V 4.4405 9.0615 124.7285 61.3596 34.3357 174.0420 7 T 4.9143 8.6074 118.7305 60.2873 70.2905 173.8044 8 L 4.5903 9.3559 127.8530 53.0688 43.5157 176.2454 9 G 4.2849 8.6015 110.1446 43.7728 0.0000 171.8797 10 N 4.9380 8.2583 113.6885 53.5281 36.1822 173.6430 11 I 4.2422 8.0399 118.6417 60.0035 40.2666 176.7133 12 G 4.2112 8.4813 105.5505 45.1795 0.0000 174.3779 13 K 3.7837 8.6440 120.0353 59.5230 31.8931 177.5424 14 D 4.4226 8.1452 114.5784 53.4725 40.0161 176.4677 15 G 3.9833 8.7167 111.2124 47.1251 0.0000 174.8418 16 K 4.9378 8.1998 121.3372 54.8961 32.5583 179.1479 17 Q 4.9124 8.3347 119.5234 55.0994 33.5063 174.7174 18 T 5.1609 8.2402 108.8465 60.2834 72.0137 172.9727 19 L 4.7764 9.1729 125.8452 53.2941 45.7091 174.9103 20 V 4.6965 8.4108 125.3778 61.1508 34.1689 173.8396 21 L 5.2528 9.0089 128.1991 53.0991 44.2746 175.3655 22 N 5.0779 9.1167 122.8674 51.5367 40.0605 173.3356 23 P 4.6055 0.0000 0.0000 62.5675 32.2757 175.9225 24 R 4.5317 8.0289 121.1509 55.9510 29.6805 175.6412 25 G 3.8797 8.2951 109.5412 44.7304 0.0000 172.1775 26 V 4.5813 7.9406 117.1739 60.4078 33.3264 174.5990 27 N 4.2797 8.8130 127.2060 53.4315 38.7957 173.3576 28 P 4.5629 0.0000 0.0000 64.1116 31.4267 176.8644 29 T 4.3234 7.9489 116.0750 64.9573 69.3001 175.0629 30 N 4.8655 8.6010 115.5263 51.5709 40.6326 174.0985 31 G 3.7597 8.3431 106.3231 46.6986 0.0000 173.8514 32 V 4.5112 7.5915 118.6391 60.7337 33.9154 174.6472 33 A 4.8771 8.9315 130.4016 51.7730 20.1951 176.2105 34 S 5.2018 8.7138 116.0026 56.7213 67.2266 173.2755 35 L 5.4908 9.1641 123.3012 53.0508 45.5492 175.7150 36 S 5.2261 8.6288 115.4487 56.1725 67.1288 172.9512 37 Q 4.5351 8.5459 122.4611 56.2514 29.3037 176.0523 38 A 4.0672 8.9189 128.2864 52.7317 19.6566 178.4324 39 G 3.8739 8.8402 107.2606 45.9198 0.0000 173.5551 40 A 4.5750 7.2474 120.6217 50.2872 20.9557 177.2983 41 V 3.9933 7.9849 119.4237 61.2280 32.8540 175.0579 42 P 4.6054 0.0000 0.0000 65.4077 30.7885 178.0419 43 A 4.1791 8.0086 119.4434 53.7252 18.3478 177.5549 44 L 4.8169 8.1266 114.3400 54.0666 43.2977 176.2925 45 E 4.2113 8.1977 119.8846 56.2644 30.7633 176.2528 46 K 4.5100 8.2138 120.9266 56.1773 33.6272 176.6874 47 R 5.1084 8.8692 123.9299 54.9436 33.7502 175.3500 48 V 5.0455 8.2586 119.2636 62.2471 35.4607 172.8473 49 T 5.2440 9.0854 117.5111 60.0012 72.4126 172.9476 50 V 5.1769 8.7649 122.6907 61.4459 35.4549 174.2339 51 S 4.8581 8.9623 120.7235 56.9158 66.7779 173.0885 52 V 4.7146 8.3506 122.9252 60.7919 32.9204 174.7303 53 S 4.1188 9.3237 124.0934 58.8732 62.0580 174.4981 54 Q 4.2544 8.8390 126.6366 58.2647 30.0110 176.8497 55 P 4.3850 0.0000 0.0000 62.1477 30.6896 178.5164 *61 N 4.8338 8.7113 112.1479 53.2770 39.4111 171.7824 62 Y 4.8180 9.1147 120.3546 56.2755 41.6218 174.9509 63 K 5.8096 8.5298 119.9987 53.8511 36.9373 175.1888 64 V 4.8469 8.7304 124.0134 61.2054 34.4265 173.6402 65 Q 5.2450 9.2567 129.4377 54.3011 31.9461 174.1249 66 V 5.6224 8.8391 125.5167 60.1792 34.9953 174.2986 67 K 5.2312 8.4759 125.9291 54.7555 36.7843 175.1732 68 I 5.0851 8.8134 123.2509 59.6728 41.0663 174.5368 69 Q 4.7395 8.9192 124.6662 54.2537 32.2334 174.2249 70 N 5.1443 8.7070 122.6221 50.6714 40.9957 172.6175 71 P 5.1568 0.0000 0.0000 61.6652 33.2456 175.6192 72 T 4.8036 8.6569 109.9014 60.0589 72.0084 172.6569 73 A 5.0843 8.4621 124.3289 49.7509 22.7212 174.8998 74 C 4.6809 8.5120 120.3031 57.5432 33.6417 173.9821 75 T 3.9016 8.7160 123.0838 64.3802 68.6803 173.9171 *80 C 4.4400 8.3955 119.7545 59.2194 30.0611 173.7422 81 D 4.7550 7.8331 118.7114 51.6498 40.8293 174.2362 82 P 4.4991 0.0000 0.0000 62.7314 32.1349 176.3691 83 S 4.8124 8.5544 118.2371 56.5680 66.0845 173.1657 84 V 3.8679 8.2023 121.5732 63.5000 31.4471 175.8049 85 T 4.2183 9.2502 125.8444 65.6370 69.1789 174.6823 86 R 4.7871 7.4043 114.7026 55.1579 33.2840 173.5246 87 Q 4.9472 8.4903 116.3039 54.0167 33.2345 174.1426 88 A 4.7389 8.4324 124.6880 50.3963 21.5888 175.2899 89 Y 5.7347 8.7778 117.6667 55.0811 42.1077 174.9035 90 A 4.7880 8.6175 122.8049 50.3112 22.7560 174.3333 91 D 5.1522 8.8118 121.2649 52.4532 44.1641 174.7943 92 V 4.5794 8.9799 125.5780 61.2792 35.2333 174.2600 93 T 5.0989 8.0555 115.9944 60.2895 71.5831 172.8848 94 F 4.8584 9.5729 124.7452 55.6015 42.3133 174.7324 95 S 5.5169 7.5259 114.7493 55.9162 65.7954 173.1956 96 F 5.1633 8.5089 120.3796 56.1094 43.5943 174.5018 97 T 4.5805 8.7481 118.1413 63.2707 69.1137 175.9232 98 Q 4.0642 8.7115 121.9654 58.4868 28.7961 176.9770 99 Y 4.6428 7.7734 114.2914 57.4282 38.3062 175.5618 100 S 4.4936 8.1236 116.9753 58.0795 63.8676 174.3442 101 T 4.1582 8.4806 114.7288 60.8827 69.8270 175.0845 102 D 4.1488 8.6860 123.8624 56.8238 39.0359 178.5682 103 E 3.9191 7.5975 117.4142 59.1146 29.5638 178.6009 104 E 3.9461 8.2632 118.7201 59.5308 29.5579 179.3781 105 R 3.5527 7.6497 117.0659 59.1138 29.9802 178.4706 106 A 3.9145 7.8227 120.4184 55.4599 18.2800 179.1195 107 F 3.9371 8.1933 119.9791 60.7868 39.3667 177.0579 108 V 3.8464 8.2431 117.6103 66.5622 31.3390 177.5600 109 R 4.0739 8.5192 118.5540 60.0874 29.8992 178.2079 110 T 3.8050 8.2171 109.2496 64.8054 68.5970 175.5723 111 E 3.8102 8.5587 122.2887 58.8895 29.5782 178.2995 112 L 3.8943 8.2789 120.2352 58.3340 41.9059 178.3914 113 A 3.9787 7.9020 118.7276 55.5024 18.5784 178.9269 114 A 4.0714 8.3805 118.9481 55.4345 18.4350 179.6898 115 L 3.9332 8.3328 117.6050 58.1335 41.5242 179.8306 116 L 4.1931 8.0460 117.3217 57.2051 41.5848 178.6127 117 A 4.3170 7.7638 118.8822 51.9034 19.4806 177.5563 118 S 4.1582 7.9498 114.4297 57.2736 63.2754 173.0426 119 P 4.2035 0.0000 0.0000 66.0180 30.1841 178.0840 120 L 3.8878 7.9816 119.4537 58.1830 41.7777 179.0427 121 L 4.0341 7.8303 118.2260 57.6735 41.6608 179.0882 122 I 3.6669 7.9838 113.4082 64.3780 37.2469 177.7543 123 D 4.3012 8.4026 119.5082 56.8755 40.9512 178.0765 124 A 4.7231 7.6378 121.8483 54.2274 18.2470 179.1511 125 I 3.9264 8.0182 118.3260 63.7925 37.5347 177.9955 126 D 4.4523 8.3312 119.1127 57.1250 40.7736 177.8079 127 Q 4.4154 7.9722 113.8337 54.7896 29.6555 175.3615 128 L 4.3983 7.1359 114.5950 54.6333 40.0772 173.7460 129 N 4.7615 8.1157 116.8875 50.8916 39.2135 173.7481 130 P 4.6632 0.0000 0.0000 62.3346 32.2864 175.3682 131 A 4.5313 8.2166 121.3086 51.7780 19.7677 177.0515 132 Y 4.4233 7.7332 117.2162 57.4956 37.7440 174.7815 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 4.24 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 2 K 8.06 3.56 0.00 1.81 1.76 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 3 L 9.30 4.08 0.00 1.63 1.62 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.14 5.00 0.00 1.86 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 2.20 2.47 0.00 5 T 8.40 4.36 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 1.25 0.00 0.00 6 V 9.06 4.44 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 0.99 0.00 0.00 0.99 0.00 0.00 7 T 8.61 4.91 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 8 L 9.36 4.59 0.00 1.75 1.62 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.60 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 0.00 0.00 0.00 0.00 10 N 8.26 4.94 0.00 2.84 2.91 0.00 0.00 7.17 7.45 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 11 I 8.04 4.24 1.87 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 1.37 0.83 0.91 0.00 0.00 12 G 8.48 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 13 K 8.64 3.78 0.00 1.72 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 D 8.15 4.42 0.00 2.82 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 15 G 8.72 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 0.00 0.00 0.00 16 K 8.20 4.94 0.00 1.54 1.65 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.25 7.81 17 Q 8.33 4.91 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 18 T 8.24 5.16 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 19 L 9.17 4.78 0.00 1.70 1.50 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.41 4.70 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 0.95 0.00 0.00 0.93 0.00 0.00 21 L 9.01 5.25 0.00 1.64 1.55 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 N 9.12 5.08 0.00 2.63 2.72 0.00 0.00 6.31 7.86 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 23 P 0.00 4.61 0.00 2.07 2.20 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 24 R 8.03 4.53 0.00 1.80 1.93 0.00 3.46 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 25 G 8.30 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 26 V 7.94 4.58 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 0.85 0.00 0.00 0.94 0.00 0.00 27 N 8.81 4.28 0.00 2.79 2.72 0.00 0.00 6.54 7.22 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 28 P 0.00 4.56 0.00 2.22 2.14 0.00 3.81 0.00 0.00 3.82 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 29 T 7.95 4.32 4.38 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 1.21 0.00 0.00 30 N 8.60 4.87 0.00 2.63 2.80 0.00 0.00 7.03 7.27 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 31 G 8.34 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 32 V 7.59 4.51 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 1.05 0.00 0.00 0.99 0.00 0.00 33 A 8.93 4.88 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 34 S 8.71 5.20 0.00 3.76 3.72 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 35 L 9.16 5.49 0.00 1.53 1.51 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.63 5.23 0.00 3.87 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 37 Q 8.55 4.54 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 38 A 8.92 4.07 1.25 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 39 G 8.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.25 4.57 1.25 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 41 V 7.98 3.99 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 0.94 0.00 0.00 0.93 0.00 0.00 42 P 0.00 4.61 0.00 2.25 2.34 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 43 A 8.01 4.18 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 44 L 8.13 4.82 0.00 1.53 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.20 4.21 0.00 1.95 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 2.33 2.49 0.00 46 K 8.21 4.51 0.00 1.71 1.84 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.51 7.81 47 R 8.87 5.11 0.00 1.72 1.84 0.00 3.32 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 48 V 8.26 5.05 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 0.95 0.00 0.00 49 T 9.09 5.24 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 50 V 8.76 5.18 2.11 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 1.11 0.00 0.00 0.96 0.00 0.00 51 S 8.96 4.86 0.00 3.94 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 52 V 8.35 4.71 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 0.93 0.00 0.00 0.98 0.00 0.00 53 S 9.32 4.12 0.00 3.89 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 54 Q 8.84 4.25 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 55 P 0.00 4.39 0.00 1.99 1.12 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.87 0.00 *61 N 8.71 4.83 0.00 2.65 2.84 0.00 0.00 6.61 7.46 0.00 0.00 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 Y 9.11 4.82 0.00 3.17 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 63 K 8.53 5.81 0.00 1.68 1.68 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.27 7.81 64 V 8.73 4.85 2.30 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 1.08 0.00 0.00 1.08 0.00 0.00 65 Q 9.26 5.25 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 66 V 8.84 5.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 1.05 0.00 0.00 67 K 8.48 5.23 0.00 1.94 1.69 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.42 7.81 68 I 8.81 5.09 1.91 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 1.26 1.11 0.94 0.00 0.00 69 Q 8.92 4.74 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 70 N 8.71 5.14 0.00 2.50 2.65 0.00 0.00 6.33 7.60 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 71 P 0.00 5.16 0.00 2.04 2.12 0.00 3.26 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 72 T 8.66 4.80 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 1.17 0.00 0.00 73 A 8.46 5.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 8.51 4.68 0.00 2.94 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 75 T 8.72 3.90 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 *80 C 8.40 4.44 0.00 2.98 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 81 D 7.83 4.75 0.00 2.65 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 82 P 0.00 4.50 0.00 1.93 1.99 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 83 S 8.55 4.81 0.00 3.88 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 84 V 8.20 3.87 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 0.93 0.00 0.00 85 T 9.25 4.22 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 1.21 0.00 0.00 86 R 7.40 4.79 0.00 1.93 1.99 0.00 2.69 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 87 Q 8.49 4.95 0.00 1.78 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 88 A 8.43 4.74 1.11 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 0.00 0.00 89 Y 8.78 5.73 0.00 2.82 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 90 A 8.62 4.79 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 91 D 8.81 5.15 0.00 2.65 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 92 V 8.98 4.58 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 0.68 0.00 0.00 0.93 0.00 0.00 93 T 8.06 5.10 4.19 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 1.19 0.00 0.00 94 F 9.57 4.86 0.00 2.99 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 95 S 7.53 5.52 0.00 3.71 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 96 F 8.51 5.16 0.00 3.00 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 97 T 8.75 4.58 4.41 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 0.00 0.00 0.00 1.40 0.00 0.00 98 Q 8.71 4.06 0.00 1.68 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 99 Y 7.77 4.64 0.00 3.02 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 0.00 100 S 8.12 4.49 0.00 3.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.48 4.16 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 1.26 0.00 0.00 102 D 8.69 4.15 0.00 2.78 2.89 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 0.00 103 E 7.60 3.92 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 104 E 8.26 3.95 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 105 R 7.65 3.55 0.00 1.45 1.13 0.00 3.05 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.56 0.00 106 A 7.82 3.91 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 0.00 107 F 8.19 3.94 0.00 3.25 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 0.00 108 V 8.24 3.85 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 1.42 0.00 0.00 1.34 0.00 0.00 109 R 8.52 4.07 0.00 1.74 2.06 0.00 3.30 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 110 T 8.22 3.80 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 111 E 8.56 3.81 0.00 1.77 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 0.00 2.34 2.30 0.00 112 L 8.28 3.89 0.00 1.89 2.02 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.90 3.98 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 0.00 114 A 8.38 4.07 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 0.00 115 L 8.33 3.93 0.00 1.94 1.75 0.93 0.65 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 0.00 116 L 8.05 4.19 0.00 1.80 1.75 0.95 0.92 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 0.00 117 A 7.76 4.32 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 0.00 118 S 7.95 4.16 0.00 3.82 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 0.00 119 P 0.00 4.20 0.00 2.29 2.30 0.00 3.76 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 2.06 2.03 0.00 120 L 7.98 3.89 0.00 1.67 1.71 0.91 0.62 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 0.00 121 L 7.83 4.03 0.00 1.98 1.70 0.97 0.71 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 0.00 122 I 7.98 3.67 1.87 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 1.56 1.16 0.96 0.00 0.00 123 D 8.40 4.30 0.00 2.83 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 0.00 124 A 7.64 4.72 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 0.00 125 I 8.02 3.93 1.88 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 1.53 1.34 0.92 0.00 0.00 126 D 8.33 4.45 0.00 2.80 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 0.00 127 Q 7.97 4.42 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 128 L 7.14 4.40 0.00 1.82 1.74 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.12 4.76 0.00 3.02 2.82 0.00 0.00 6.80 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 0.00 130 P 0.00 4.66 0.00 2.24 2.12 0.00 3.79 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 2.05 1.99 0.00 131 A 8.22 4.53 1.24 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 0.00 0.00 0.00 132 Y 7.73 4.42 0.00 3.05 2.86 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 * Residues marked with a * may have inaccurate shift predictions.