NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Y 4.7044 8.1449 118.3252 57.7988 39.3020 174.0275 7 I 4.4571 8.2025 123.4522 56.8953 39.7592 173.4077 8 P 4.5406 0.0000 0.0000 62.1356 33.0230 175.3815 9 D 4.6709 8.4332 119.1868 54.2801 41.8252 175.3027 10 S 4.4850 8.1276 117.9358 57.0282 65.3564 174.1253 11 K 4.0005 8.4335 125.9763 58.4173 33.1480 176.4267 12 F 5.4409 7.5951 116.9029 55.7779 43.1424 174.2115 13 Y 5.1243 8.8683 117.6749 56.2081 42.3761 174.5125 14 K 4.4153 9.6549 126.0280 56.0793 34.1044 175.5846 15 V 4.7602 9.1135 127.7736 61.4518 33.6729 173.8792 16 E 5.0589 9.4129 128.9483 54.7420 31.7157 175.0225 17 A 4.8594 8.9911 127.2431 50.2391 21.6235 175.3745 18 I 4.6692 8.4559 125.0547 60.7573 38.1564 175.5967 19 V 4.8856 8.4056 119.9412 59.0025 36.9220 175.5277 20 R 4.2409 8.1781 119.9651 55.7599 30.3140 176.7343 21 P 4.3000 0.0000 0.0000 64.9780 31.5061 177.2696 22 W 4.6793 8.0337 112.8041 56.8784 28.6168 177.1439 23 R 4.4016 7.4702 117.7067 56.2395 29.6089 177.7561 24 I 3.6103 7.5407 121.2555 64.7040 37.1895 177.8620 25 Q 3.9928 8.0645 117.9378 59.2359 28.6143 179.1393 26 Q 3.9454 7.9644 118.2691 58.9024 28.8439 178.8063 27 V 3.4894 7.6712 119.1815 65.9571 31.6966 177.6809 28 S 4.0355 8.7055 113.4004 61.7746 62.0769 176.4349 29 S 4.1085 8.6027 117.6169 61.5866 62.2006 176.5981 30 A 4.0156 7.9940 123.4512 55.1567 17.9906 179.7253 31 L 3.7883 7.9696 117.6039 57.8062 41.5596 179.4350 32 L 4.0501 7.8948 120.0024 58.0519 41.7445 179.2159 33 K 4.0034 7.8416 117.8205 58.5384 32.1438 177.6609 34 I 4.1958 7.3701 110.0958 60.4326 37.6411 175.9734 35 G 3.7830 8.0019 108.5318 46.2782 0.0000 173.7876 36 I 4.3762 7.9029 120.9529 59.4997 38.2668 175.5328 37 R 4.3469 8.6753 124.8936 56.6302 31.2896 177.6239 38 G 4.0272 7.7393 107.2991 43.5845 0.0000 172.0002 39 V 4.2544 7.5950 121.9745 61.6340 33.4952 176.3528 40 T 4.6532 8.6535 120.1434 61.8986 70.8303 173.6136 41 V 5.0836 8.3568 125.2031 61.2025 34.5192 174.4980 42 S 4.7745 8.9592 120.5515 56.7104 67.0511 172.5292 43 D 4.8560 8.6009 121.0985 54.2856 41.3234 176.3016 44 V 4.6004 8.8613 115.8503 59.5771 36.4089 174.6022 45 R 4.9584 8.5383 120.8410 54.5165 32.9991 175.6293 46 G 4.1393 9.2556 110.7711 44.8160 0.0000 172.1543 47 F 4.9988 8.5609 118.0546 55.2862 41.3133 175.6347 *65 D 4.2335 8.4030 122.3994 53.2533 39.6388 174.9442 66 K 4.4935 8.1267 123.3394 54.7153 33.8869 176.0853 67 F 4.8704 8.2662 119.3080 55.7212 43.1144 174.0916 68 V 4.4265 8.4753 122.7850 61.0742 33.2292 174.7081 69 A 4.4976 8.6782 130.4554 51.9495 19.0897 176.3667 70 K 4.8345 9.2916 121.2398 54.8450 37.7458 175.5036 71 V 4.8087 8.6990 114.3413 59.4743 35.0482 175.1402 72 K 4.7268 8.9811 127.3371 56.2094 33.4882 175.1243 73 M 5.0583 9.1779 127.8740 53.6882 34.5205 174.6098 74 E 5.1574 9.5913 124.4432 54.5201 32.7989 175.0866 75 I 4.8520 8.5675 123.7085 59.3999 41.9985 173.4623 76 V 4.9444 8.4697 128.5968 61.4222 33.3457 174.8522 77 V 4.8045 8.6976 119.6854 59.3373 36.7922 175.1920 78 K 4.3979 8.7128 120.8303 56.1075 32.9293 178.1776 79 K 4.0952 8.6500 123.3802 60.0416 31.9873 178.4915 80 D 4.6524 8.1440 114.0511 54.7704 39.5616 176.8707 81 Q 4.4562 8.0635 119.1123 56.3991 29.3488 177.6157 82 V 3.5467 7.7597 120.4134 65.9642 31.5526 177.4744 83 E 3.9808 8.2889 117.7663 59.7613 29.3886 179.2945 84 S 4.1200 8.0492 112.4163 61.3253 62.5107 176.1859 85 V 3.6307 7.8871 121.1121 65.6796 31.2591 178.0786 86 I 3.6260 8.0087 119.9188 64.4433 37.0060 177.9240 87 N 4.2895 8.0599 117.1378 56.8850 38.5570 177.6313 88 T 4.0488 7.8439 116.8337 66.6325 68.5172 176.9018 89 I 3.6785 7.6959 121.6490 64.2843 37.1414 178.3838 90 I 3.6218 7.6926 120.5895 64.5360 36.7579 177.9849 91 E 4.0201 8.0066 117.9219 59.7434 29.4502 179.6248 92 G 3.6742 7.8869 102.9259 46.4366 0.0000 174.6878 93 A 4.3731 7.5254 121.0758 51.5903 20.6946 177.2292 94 R 4.1091 7.9646 118.8578 56.6582 30.5435 176.1414 95 T 4.3991 9.6315 114.9623 61.0083 70.6808 174.9666 96 G 4.0552 8.6311 109.3801 45.3356 0.0000 173.7349 97 E 4.2263 7.5699 118.2465 55.5386 30.1208 176.8028 98 I 3.6439 8.1637 122.9428 63.0612 37.4242 176.2204 99 G 4.2678 9.0149 114.3741 45.8695 0.0000 174.4092 100 D 4.2402 8.0270 120.6051 55.3129 41.1682 176.6962 101 G 4.2983 8.6558 103.7259 45.3415 0.0000 172.0412 102 K 4.5700 7.9454 115.2753 54.6055 36.8862 175.4986 103 I 4.5707 7.8781 122.0121 59.4871 39.8090 174.9729 104 F 5.1115 9.0768 125.5051 55.6700 41.9121 174.6468 105 V 4.8374 8.5604 122.5682 61.2579 33.1292 174.5151 106 L 5.0765 9.0757 128.6076 51.9630 44.8821 174.4034 107 P 4.4178 0.0000 0.0000 62.7895 32.0573 175.5979 108 V 4.2431 8.2598 123.3722 61.2609 33.0353 176.6313 109 S 4.0728 8.8875 124.7462 61.5284 63.1124 173.9796 110 D 4.6204 7.4448 115.6845 52.9590 43.9067 173.9645 111 V 4.2988 7.8365 123.3212 60.9727 34.5753 174.0298 112 I 4.9752 8.1293 127.4680 59.3619 40.3297 174.8572 113 R 4.0656 8.9317 128.3351 55.7318 30.4707 177.1732 114 V 3.5417 8.6543 126.8517 66.0951 31.8954 176.9496 115 R 4.0434 8.1488 118.3805 58.8316 30.0065 176.8757 116 T 4.2879 7.9895 105.3265 60.8680 70.3815 175.3981 117 G 3.9347 8.4674 109.6590 45.0036 0.0000 173.4916 118 E 4.1238 7.8126 119.9777 56.4124 30.0447 176.3397 119 R 5.0972 8.1586 120.4735 55.4827 34.5576 176.8877 120 G 4.2132 8.4258 106.7045 45.5381 0.0000 176.1623 121 E 4.1240 9.0446 118.6564 59.5838 29.6594 178.3423 122 K 4.4111 8.0119 115.8591 56.4189 31.8784 177.3725 123 A 4.6881 8.0061 120.5252 52.2393 22.8132 178.5697 124 E 3.9964 7.7913 113.8458 59.0172 29.8910 178.3446 125 K 4.0757 7.8474 118.5401 56.0938 32.6093 176.3089 126 M 4.3173 8.6027 124.0344 55.4186 32.3582 176.6718 127 T 4.5711 8.3970 115.9901 61.1497 69.4863 174.4280 128 G 3.9670 7.8770 110.2148 45.2440 0.0000 173.9302 129 D 4.5507 8.2437 119.0694 54.3380 41.5394 176.8904 130 M 4.1974 8.3982 119.5197 55.7452 32.1320 176.4855 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 6 Y 8.14 4.70 0.00 2.95 2.81 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 7 I 8.20 4.46 1.93 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 1.51 0.27 0.96 0.00 0.00 8 P 0.00 4.54 0.00 2.23 2.10 0.00 3.89 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 9 D 8.43 4.67 0.00 2.71 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 10 S 8.13 4.49 0.00 3.55 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 11 K 8.43 4.00 0.00 1.74 1.27 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.09 1.29 7.81 12 F 7.60 5.44 0.00 2.94 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 13 Y 8.87 5.12 0.00 2.78 2.69 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 0.00 14 K 9.65 4.42 0.00 1.83 1.72 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.41 7.81 15 V 9.11 4.76 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 0.89 0.00 0.00 0.92 0.00 0.00 16 E 9.41 5.06 0.00 2.11 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 2.30 2.32 0.00 17 A 8.99 4.86 1.14 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 0.00 0.00 18 I 8.46 4.67 1.83 0.00 0.00 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 1.20 1.18 0.94 0.00 0.00 19 V 8.41 4.89 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 0.64 0.00 0.00 0.89 0.00 0.00 20 R 8.18 4.24 0.00 1.22 1.46 0.00 2.63 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.50 0.00 21 P 0.00 4.30 0.00 2.18 2.17 0.00 3.86 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 2.13 2.12 0.00 22 W 8.03 4.68 0.00 3.56 3.13 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 23 R 7.47 4.40 0.00 1.66 1.83 0.00 2.34 0.00 0.00 2.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 24 I 7.54 3.61 1.87 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 1.62 1.01 0.90 0.00 0.00 25 Q 8.06 3.99 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 26 Q 7.96 3.95 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 27 V 7.67 3.49 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 0.95 0.00 0.00 0.94 0.00 0.00 28 S 8.71 4.04 0.00 4.11 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 29 S 8.60 4.11 0.00 3.85 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 30 A 7.99 4.02 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 31 L 7.97 3.79 0.00 1.91 1.89 0.93 0.52 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 32 L 7.89 4.05 0.00 1.93 1.86 0.92 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.84 4.00 0.00 1.93 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.52 7.81 34 I 7.37 4.20 1.88 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 1.40 0.78 0.91 0.00 0.00 35 G 8.00 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 0.00 0.00 0.00 36 I 7.90 4.38 1.98 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 1.31 0.62 0.92 0.00 0.00 37 R 8.68 4.35 0.00 1.79 1.97 0.00 3.17 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 38 G 7.74 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 0.00 0.00 0.00 39 V 7.59 4.25 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 0.73 0.00 0.00 0.95 0.00 0.00 40 T 8.65 4.65 4.36 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 1.27 0.00 0.00 41 V 8.36 5.08 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 0.83 0.00 0.00 0.92 0.00 0.00 42 S 8.96 4.77 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 43 D 8.60 4.86 0.00 2.55 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 44 V 8.86 4.60 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 0.77 0.00 0.00 0.97 0.00 0.00 45 R 8.54 4.96 0.00 1.36 1.62 0.00 2.44 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 46 G 9.26 4.14 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 0.00 0.00 0.00 47 F 8.56 5.00 0.00 3.07 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 *65 D 8.40 4.23 0.00 2.72 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 66 K 8.13 4.49 0.00 1.67 1.71 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.41 7.81 67 F 8.27 4.87 0.00 2.92 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 68 V 8.48 4.43 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 0.99 0.00 0.00 0.97 0.00 0.00 69 A 8.68 4.50 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 70 K 9.29 4.83 0.00 1.64 1.78 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 71 V 8.70 4.81 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 0.96 0.00 0.00 72 K 8.98 4.73 0.00 1.85 1.69 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.47 7.81 73 M 9.18 5.06 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 74 E 9.59 5.16 0.00 1.84 1.83 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 0.00 2.24 2.22 0.00 75 I 8.57 4.85 1.87 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 1.12 0.90 0.97 0.00 0.00 76 V 8.47 4.94 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 0.83 0.00 0.00 0.92 0.00 0.00 77 V 8.70 4.80 2.16 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 0.74 0.00 0.00 1.05 0.00 0.00 78 K 8.71 4.40 0.00 1.84 1.67 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.54 7.81 79 K 8.65 4.10 0.00 2.22 1.91 0.00 1.96 0.00 0.00 2.32 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.74 7.81 80 D 8.14 4.65 0.00 2.83 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 81 Q 8.06 4.46 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 82 V 7.76 3.55 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 0.76 0.00 0.00 0.82 0.00 0.00 83 E 8.29 3.98 0.00 2.05 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 2.51 2.34 0.00 84 S 8.05 4.12 0.00 3.90 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 85 V 7.89 3.63 2.19 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 0.97 0.00 0.00 1.01 0.00 0.00 86 I 8.01 3.63 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 1.48 0.76 0.88 0.00 0.00 87 N 8.06 4.29 0.00 2.93 2.86 0.00 0.00 7.11 7.20 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 88 T 7.84 4.05 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 1.24 0.00 0.00 89 I 7.70 3.68 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.02 0.84 0.00 0.00 90 I 7.69 3.62 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.87 0.00 0.00 91 E 8.01 4.02 0.00 2.12 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 2.34 2.45 0.00 92 G 7.89 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 93 A 7.53 4.37 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 94 R 7.96 4.11 0.00 1.75 1.84 0.00 3.19 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 95 T 9.63 4.40 4.37 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 1.12 0.00 0.00 96 G 8.63 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 0.00 0.00 0.00 97 E 7.57 4.23 0.00 2.07 1.95 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 2.42 2.52 0.00 98 I 8.16 3.64 1.89 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 1.36 0.35 0.93 0.00 0.00 99 G 9.01 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 0.00 100 D 8.03 4.24 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 0.00 0.00 0.00 0.00 102 K 7.95 4.57 0.00 1.26 0.98 0.00 1.72 0.00 0.00 1.94 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.38 7.81 103 I 7.88 4.57 1.73 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 1.22 0.44 0.86 0.00 0.00 104 F 9.08 5.11 0.00 2.92 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 0.00 105 V 8.56 4.84 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 0.43 0.00 0.00 0.81 0.00 0.00 106 L 9.08 5.08 0.00 1.65 1.55 1.00 0.81 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 0.00 107 P 0.00 4.42 0.00 1.97 2.04 0.00 3.78 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 2.00 2.02 0.00 108 V 8.26 4.24 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 0.89 0.00 0.00 0.94 0.00 0.00 109 S 8.89 4.07 0.00 3.89 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 0.00 110 D 7.44 4.62 0.00 2.57 2.44 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 0.00 111 V 7.84 4.30 1.45 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 0.74 0.00 0.00 0.02 0.00 0.00 112 I 8.13 4.98 1.82 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 1.19 0.62 0.88 0.00 0.00 113 R 8.93 4.07 0.00 1.84 1.78 0.00 3.09 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 114 V 8.65 3.54 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 0.00 115 R 8.15 4.04 0.00 1.80 1.93 0.00 3.25 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 116 T 7.99 4.29 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 0.00 117 G 8.47 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 0.00 118 E 7.81 4.12 0.00 1.99 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 2.28 0.00 119 R 8.16 5.10 0.00 1.74 1.77 0.00 3.22 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 120 G 8.43 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 0.00 121 E 9.04 4.12 0.00 2.11 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 0.00 2.47 2.39 0.00 122 K 8.01 4.41 0.00 1.76 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.46 7.81 123 A 8.01 4.69 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 0.00 124 E 7.79 4.00 0.00 1.94 2.19 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 2.50 2.41 0.00 125 K 7.85 4.08 0.00 1.78 1.81 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.43 7.81 126 M 8.60 4.32 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.46 0.00 127 T 8.40 4.57 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 1.27 0.00 0.00 128 G 7.88 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 0.00 0.00 0.00 129 D 8.24 4.55 0.00 2.66 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 0.00 130 M 8.40 4.20 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 * Residues marked with a * may have inaccurate shift predictions.