NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3059 8.2493 123.5791 50.8667 19.9515 176.4066 2 P 4.3627 0.0000 0.0000 62.9000 31.5327 174.7920 3 Q 4.5385 9.0056 119.6190 55.7893 31.1069 176.3274 4 N 4.9419 7.4632 115.2177 50.5488 41.5101 174.8389 5 I 3.6974 8.2316 119.6913 64.4589 37.8531 177.8262 6 T 3.8533 7.8951 116.3408 66.4606 68.1040 176.4787 7 E 3.9551 8.6252 120.1372 59.2606 29.8155 178.9109 8 L 4.3567 7.9146 120.3746 57.4838 41.6136 178.8288 9 C 4.5328 8.5289 118.8649 59.6292 43.3490 175.6100 10 S 3.9727 7.6762 114.8192 60.7810 62.6730 175.6631 11 E 4.0769 8.0243 121.9277 57.3161 29.2149 176.2935 12 Y 4.5581 6.9264 116.2489 57.5080 39.1525 174.1450 13 H 4.9133 8.8974 117.7844 55.4959 30.9844 174.6517 14 N 4.3210 8.8338 117.6524 55.2029 35.9156 173.5729 15 T 5.3158 7.8055 105.5758 60.1743 72.4376 173.1424 16 Q 4.5180 8.7382 119.2222 55.1739 32.7231 173.0373 17 I 4.6868 7.9395 120.3378 60.0477 38.9548 174.7610 18 Y 4.6083 8.9207 124.8965 56.2152 40.2826 174.1859 19 E 4.7250 8.8508 125.3748 55.2615 30.3936 174.1140 20 L 4.3375 9.0454 126.0216 55.5102 43.8754 177.9884 21 N 4.2511 7.8459 114.0914 53.8630 36.7760 174.0226 22 K 4.7374 7.4250 114.7128 54.5464 36.7270 176.4399 23 E 4.7488 8.6350 119.3966 55.8242 30.5824 176.5076 24 I 3.4287 8.1415 121.4357 61.2383 37.9004 176.0769 25 K 4.3149 8.7549 127.7049 58.9083 32.9066 177.1380 26 T 4.7286 7.6740 114.9715 61.7220 72.8011 172.3434 27 Y 4.9088 8.0707 125.0793 56.0487 41.6260 174.4986 28 T 4.6633 8.1925 122.6536 61.5192 72.6463 172.7378 29 E 5.1948 8.5529 122.4384 54.6841 33.0157 174.9547 30 S 4.6701 8.8081 115.3465 56.3299 66.9786 173.0147 31 L 4.3844 8.6326 124.2130 55.9600 42.1402 177.1409 32 A 4.4944 9.2411 129.3555 51.1242 20.8188 176.8725 33 G 3.9903 7.9852 114.9502 47.3038 0.0000 172.3249 34 Y 4.6254 8.7213 122.2253 57.6881 38.4364 174.9465 35 R 4.6938 7.6698 118.2476 54.9236 33.6602 173.0128 36 E 5.2054 8.5576 116.9760 55.4406 32.6977 175.8848 37 M 4.4452 8.7492 123.6086 55.3983 33.9272 174.9226 38 V 4.7915 8.1861 124.1514 61.0792 34.8496 174.2076 39 I 5.0789 8.5011 127.9547 59.3606 40.7018 174.4220 40 I 5.0340 8.8173 120.0012 59.1236 40.7189 174.5911 41 S 5.1156 8.6695 117.4670 56.8450 66.6725 172.6501 42 F 5.2049 8.6527 119.2621 55.2310 41.6360 175.5871 43 A 4.0612 8.8253 124.5859 53.8339 18.6997 177.1825 44 N 4.3055 8.9718 118.9660 53.4607 36.8250 174.3290 45 G 3.9275 7.6743 105.8965 45.2031 0.0000 173.1510 46 A 4.1974 8.4786 122.4435 51.6957 19.8517 176.3427 47 T 5.0391 7.4772 115.3260 61.8102 71.2749 173.8919 48 F 5.2880 9.2128 123.4324 55.8044 44.0989 173.5947 49 Q 5.1950 9.4031 118.6379 54.5330 32.1871 174.3318 50 V 4.3863 8.5035 120.6461 61.1855 33.1883 175.2934 51 E 4.4709 8.8771 126.0350 55.3022 31.2417 176.0411 52 V 4.1823 8.0621 119.7491 61.1293 33.0196 175.1544 *62 K 4.4289 8.5781 126.3349 56.6712 34.3851 178.4581 63 R 3.9661 7.9667 117.2416 58.8396 30.1433 177.0925 64 P 4.3193 0.0000 0.0000 65.6574 31.3573 178.6326 65 L 4.1188 7.9702 117.2859 57.7778 41.5563 179.2591 66 E 4.0312 7.9186 118.5507 59.2172 29.2798 179.2810 67 R 3.8906 7.9702 118.5971 59.6046 30.1320 178.1030 68 M 4.0348 7.9379 117.4982 58.7675 32.1989 178.2532 69 K 4.0429 8.1690 118.4668 59.6339 32.2423 179.0385 70 D 4.3800 8.2381 119.0522 57.6673 40.6979 178.9309 71 T 3.9112 8.2290 116.4547 66.8006 68.5171 176.7614 72 L 4.1159 8.2685 120.9543 57.5838 41.6085 179.5631 73 R 3.7117 8.3889 118.6340 59.3494 30.0634 178.3980 74 A 3.9359 8.1286 120.3106 55.0695 18.4744 179.2889 75 A 3.9781 8.2885 119.4086 55.5149 18.2347 179.1965 76 Y 3.9186 7.9333 116.5227 61.0489 39.0222 178.0821 77 F 3.9460 8.4282 117.4783 60.2397 38.4610 177.0423 78 T 4.2988 8.2304 108.0652 61.2850 68.7985 176.0639 79 G 3.9127 7.5171 109.3505 46.1260 0.0000 173.9772 80 I 3.9394 6.9627 112.9478 59.9344 38.2046 176.0232 81 K 4.2764 8.4178 122.3667 56.5212 32.8219 176.6707 82 V 3.8947 8.7643 124.4922 62.6393 32.3393 176.0640 83 S 4.5169 9.0002 124.1250 59.9314 62.8028 173.5009 84 K 5.1299 7.8058 117.6178 54.5009 36.8563 174.5681 85 L 5.0597 8.6798 121.8178 53.0751 45.7014 174.5699 86 C 5.1326 8.6931 123.0850 55.1451 46.6784 172.8578 87 V 4.8453 8.3616 118.6267 59.0643 36.2232 174.8744 88 W 4.8296 9.2914 124.9902 56.5910 29.7987 176.1758 89 N 5.0547 9.2477 122.9861 52.2554 37.6659 175.2168 90 N 5.0681 8.2633 115.0258 52.8009 37.8170 174.0758 91 K 4.7419 8.0118 116.0850 55.5780 35.8924 175.7654 92 T 4.5358 8.2118 116.7530 60.8430 71.1297 172.3947 93 P 4.5076 0.0000 0.0000 62.4557 32.3428 175.6381 94 N 4.8202 8.8260 116.7576 54.1859 39.9941 173.8950 95 S 5.3730 8.7850 116.2485 56.6747 64.8783 173.0514 96 I 4.3246 8.9426 129.0051 61.4057 36.7720 175.5893 97 A 4.1235 8.5923 129.1376 53.0495 20.2407 176.7167 98 A 4.6081 7.2243 114.3991 51.0072 22.7898 175.2527 99 I 4.9747 8.1739 118.9658 59.1767 41.5738 173.8455 100 E 4.7046 9.2354 129.9652 54.3668 31.9411 174.2304 101 L 5.1303 8.5520 126.4003 53.0236 44.1126 175.9816 102 S 4.5391 8.4875 116.9414 56.6782 65.6450 173.0052 103 N 4.5105 8.7659 124.2251 53.7687 38.7208 174.4189 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 8.25 4.31 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 2 P 0.00 4.36 0.00 2.23 2.08 0.00 3.69 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 1.95 2.31 0.00 3 Q 9.01 4.54 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.24 0.00 4 N 7.46 4.94 0.00 2.92 2.87 0.00 0.00 5.86 7.83 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 5 I 8.23 3.70 1.85 0.00 0.00 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 1.59 1.56 0.94 0.00 0.00 6 T 7.90 3.85 4.32 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 1.17 0.00 0.00 7 E 8.63 3.96 0.00 2.02 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 2.32 2.49 0.00 8 L 7.91 4.36 0.00 1.88 1.76 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.53 4.53 0.00 3.15 3.05 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 10 S 7.68 3.97 0.00 3.98 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 11 E 8.02 4.08 0.00 1.81 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 2.21 2.36 0.00 12 Y 6.93 4.56 0.00 2.95 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 13 H 8.90 4.91 0.00 3.31 3.34 0.00 5.85 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.83 4.32 0.00 3.23 3.03 0.00 0.00 6.54 7.05 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 15 T 7.81 5.32 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 0.64 0.00 0.00 16 Q 8.74 4.52 0.00 1.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.15 1.79 0.00 17 I 7.94 4.69 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.83 0.00 0.00 18 Y 8.92 4.61 0.00 2.79 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 19 E 8.85 4.73 0.00 1.95 1.84 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 2.19 2.41 0.00 20 L 9.05 4.34 0.00 1.35 1.22 -0.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.85 4.25 0.00 2.91 2.85 0.00 0.00 6.86 6.87 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 22 K 7.43 4.74 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.47 7.81 23 E 8.64 4.75 0.00 2.10 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 2.33 2.36 0.00 24 I 8.14 3.43 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.59 0.96 0.00 0.00 25 K 8.75 4.31 0.00 1.77 1.93 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 26 T 7.67 4.73 4.16 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 1.12 0.00 0.00 27 Y 8.07 4.91 0.00 2.25 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 0.00 0.00 0.00 0.00 28 T 8.19 4.66 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 1.09 0.00 0.00 29 E 8.55 5.19 0.00 2.00 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 0.00 2.27 2.31 0.00 30 S 8.81 4.67 0.00 3.84 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 31 L 8.63 4.38 0.00 1.64 1.62 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32 A 9.24 4.49 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 33 G 7.99 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 0.00 0.00 0.00 34 Y 8.72 4.63 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 35 R 7.67 4.69 0.00 1.89 1.85 0.00 3.25 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 36 E 8.56 5.21 0.00 1.83 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 2.20 2.28 0.00 37 M 8.75 4.45 0.00 2.08 1.90 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 2.75 2.44 0.00 38 V 8.19 4.79 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 0.83 0.00 0.00 0.94 0.00 0.00 39 I 8.50 5.08 1.72 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 1.23 0.54 0.83 0.00 0.00 40 I 8.82 5.03 1.74 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 1.00 0.00 0.00 41 S 8.67 5.12 0.00 3.80 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 42 F 8.65 5.20 0.00 2.97 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 43 A 8.83 4.06 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 44 N 8.97 4.31 0.00 2.87 2.90 0.00 0.00 6.78 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 45 G 7.67 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 0.00 0.00 0.00 46 A 8.48 4.20 0.72 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 0.00 0.00 47 T 7.48 5.04 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 1.16 0.00 0.00 48 F 9.21 5.29 0.00 3.03 3.02 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 49 Q 9.40 5.20 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.36 0.00 50 V 8.50 4.39 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 1.05 0.00 0.00 1.00 0.00 0.00 51 E 8.88 4.47 0.00 2.01 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 2.33 2.14 0.00 52 V 8.06 4.18 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 0.93 0.00 0.00 0.96 0.00 0.00 *62 K 8.58 4.43 0.00 1.89 1.89 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 R 7.97 3.97 0.00 1.84 1.99 0.00 3.31 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 64 P 0.00 4.32 0.00 2.22 2.16 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 65 L 7.97 4.12 0.00 1.88 1.77 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.92 4.03 0.00 2.15 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 2.55 2.48 0.00 67 R 7.97 3.89 0.00 1.94 2.11 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 68 M 7.94 4.03 0.00 2.38 2.10 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 2.66 2.69 0.00 69 K 8.17 4.04 0.00 2.09 1.94 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.70 7.81 70 D 8.24 4.38 0.00 2.95 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 71 T 8.23 3.91 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 72 L 8.27 4.12 0.00 1.86 1.91 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.39 3.71 0.00 2.00 2.05 0.00 2.90 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.00 74 A 8.13 3.94 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 75 A 8.29 3.98 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 76 Y 7.93 3.92 0.00 3.08 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 77 F 8.43 3.95 0.00 2.89 3.05 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 78 T 8.23 4.30 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 1.29 0.00 0.00 79 G 7.52 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 80 I 6.96 3.94 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.92 0.00 0.00 81 K 8.42 4.28 0.00 1.80 1.83 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.46 7.81 82 V 8.76 3.89 2.31 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 0.95 0.00 0.00 1.19 0.00 0.00 83 S 9.00 4.52 0.00 3.97 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 84 K 7.81 5.13 0.00 1.65 1.56 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.41 7.81 85 L 8.68 5.06 0.00 1.18 1.19 0.39 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.69 5.13 0.00 2.88 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 87 V 8.36 4.85 2.28 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 0.39 0.00 0.00 1.27 0.00 0.00 88 W 9.29 4.83 0.00 3.36 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 89 N 9.25 5.05 0.00 2.82 3.03 0.00 0.00 6.88 8.90 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 90 N 8.26 5.07 0.00 2.86 2.97 0.00 0.00 5.96 7.13 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 91 K 8.01 4.74 0.00 1.83 1.76 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.40 7.81 92 T 8.21 4.54 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 1.20 0.00 0.00 93 P 0.00 4.51 0.00 2.08 1.98 0.00 3.53 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 94 N 8.83 4.82 0.00 3.13 3.18 0.00 0.00 6.28 7.57 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 95 S 8.78 5.37 0.00 4.07 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 96 I 8.94 4.32 1.93 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 1.06 0.87 0.90 0.00 0.00 97 A 8.59 4.12 -0.59 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 98 A 7.22 4.61 1.17 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 0.00 0.00 99 I 8.17 4.97 1.87 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 1.25 1.00 0.93 0.00 0.00 100 E 9.24 4.70 0.00 2.02 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 0.00 2.19 2.24 0.00 101 L 8.55 5.13 0.00 1.55 1.57 0.95 0.87 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 0.00 102 S 8.49 4.54 0.00 3.76 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 0.00 103 N 8.77 4.51 0.00 2.70 2.67 0.00 0.00 6.94 7.56 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 * Residues marked with a * may have inaccurate shift predictions.