NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2943 8.3049 120.2916 55.2268 33.4076 174.4990 2 F 4.9182 8.9180 123.0397 53.5113 42.6289 173.2779 3 D 5.0692 8.8760 124.6124 51.2212 44.4040 176.5881 4 A 3.8967 8.5608 121.4158 55.4392 18.1438 180.1278 5 F 4.2957 7.9437 115.4490 61.2714 39.1865 178.0569 6 T 4.0817 9.1375 115.5618 66.1574 67.6350 176.7898 7 K 3.2879 8.2532 122.0572 59.4099 32.2597 179.0892 8 V 3.8333 7.3039 118.5429 65.3432 31.4051 178.1722 9 V 3.6319 7.7444 118.3089 65.9442 31.4564 178.2289 10 S 4.2100 8.2796 114.1394 61.3447 62.7211 176.5600 11 Q 3.9433 7.7204 120.8210 58.6664 28.3903 178.2988 12 A 3.9513 7.9781 121.8945 55.0430 18.4122 179.2028 13 D 4.2538 8.3014 116.7215 57.8092 41.0910 178.4852 14 T 4.1351 7.6397 114.8429 66.0194 68.4734 175.5896 15 R 4.5058 7.3110 116.7354 54.5458 30.7927 176.1431 16 G 4.0329 8.4621 107.0967 46.8081 0.0000 173.4947 17 E 4.7707 8.2811 116.6707 54.2414 33.1996 176.0393 18 M 4.4527 8.2418 119.9962 54.0340 33.3767 176.5025 19 L 4.0869 8.2215 121.5205 54.7211 42.6120 178.2578 20 S 4.4598 8.4142 118.1239 58.1502 65.3849 175.4985 21 T 3.8811 8.3824 118.2034 66.5440 68.0206 176.7999 22 A 3.9931 7.9159 122.2820 55.2810 18.5568 179.4342 23 Q 3.9352 7.9475 116.2171 59.2591 28.7044 179.3343 24 I 3.7627 7.7179 120.4669 64.4011 37.0536 178.1720 25 D 4.3380 8.2486 119.5146 57.2515 40.7435 178.4983 26 A 3.9836 8.1712 121.3490 55.4941 18.4079 179.7553 27 L 3.9117 7.8754 117.1455 57.9410 41.6721 179.7545 28 S 4.1815 8.4127 113.5868 61.3030 62.2871 176.0153 29 Q 3.9632 8.3429 122.7782 59.2865 28.5733 177.8354 30 M 3.9785 7.5728 117.8308 58.5646 32.5314 177.9785 31 V 3.7514 7.8651 118.1686 66.0663 31.4973 177.8127 32 A 4.0385 7.9252 119.2640 54.9886 18.5229 178.7485 33 E 4.2347 8.0889 115.5060 57.4164 29.7715 178.7793 34 S 4.0690 7.7343 115.5368 61.8570 62.8379 176.2925 35 N 4.2802 8.2873 119.4936 56.1315 38.2877 177.3172 36 K 4.0077 8.1734 119.6107 59.3118 32.1557 179.3533 37 R 3.9244 7.9471 118.5216 59.6036 30.0139 178.4966 38 L 4.1489 8.1957 118.7270 57.6452 41.4957 179.3005 39 D 4.3400 8.1069 118.8864 57.1935 40.7163 178.4073 40 A 4.0097 8.0803 121.3081 55.2056 18.3616 179.7964 41 V 3.5787 7.8023 116.5372 66.3338 31.5861 177.7895 42 N 4.3500 8.4577 116.8795 56.7066 38.5316 177.1061 43 R 3.9436 8.5311 119.0941 59.3250 30.3675 178.8014 44 I 3.9423 8.0613 119.7952 64.5861 37.2142 178.6800 45 T 3.8887 8.1190 116.6868 66.7696 68.1486 176.7892 46 S 4.4239 8.3034 115.1907 60.1824 62.9493 174.6955 47 N 4.9696 7.6168 118.5724 52.5861 39.5876 176.0489 48 A 3.9962 8.1212 122.5351 55.6529 18.2590 180.6835 49 S 4.0752 8.0735 112.8604 62.1093 62.8418 177.0533 50 T 3.8518 7.8272 117.6580 66.7379 68.4436 176.5487 51 I 3.6683 8.0613 122.0697 64.3463 37.0550 178.7890 52 V 3.5807 8.1385 119.4972 66.0634 31.4968 178.3017 53 S 4.1635 8.3122 114.3612 61.5790 62.8266 176.1953 54 N 4.3403 8.5537 120.2341 55.8993 38.2091 177.3645 55 A 3.9214 7.9333 121.6757 54.7674 18.3706 179.6083 56 A 3.3949 8.2226 119.7409 55.1079 18.5160 179.7255 57 R 3.9058 7.8445 117.2044 59.7352 30.1313 178.6052 58 S 4.0488 8.0478 112.8120 61.1196 62.3533 175.7867 59 L 3.8087 7.7648 123.2320 58.3555 41.6158 179.1611 60 F 4.5258 7.5173 115.9195 60.3369 38.8260 177.2761 61 A 4.1952 7.8620 120.1753 54.8369 18.3026 178.7704 62 E 4.2077 8.2575 116.5545 57.4559 31.3932 176.6801 63 Q 4.7560 8.3415 116.8255 51.6522 29.3822 173.7963 64 P 4.3959 0.0000 0.0000 65.6333 32.0452 179.4022 65 Q 4.1038 8.1206 116.4102 58.5813 28.4493 178.4944 66 L 4.0927 8.3961 119.8711 57.0140 41.7274 178.2736 67 I 4.2842 7.4335 108.3464 60.2114 38.2163 175.4596 68 A 4.1599 7.3220 124.6116 50.8746 19.0434 175.4918 69 P 2.9700 0.0000 0.0000 64.0439 31.6021 176.8013 70 G 4.0840 8.5008 111.2335 45.3628 0.0000 175.0072 71 G 4.3678 8.2763 113.6631 44.5823 0.0000 175.4970 *75 A 4.1627 8.6111 128.4058 51.1987 19.8963 176.2295 76 Y 4.2218 7.6824 118.2365 58.4873 39.7964 174.7626 77 T 3.0275 7.2873 114.9223 62.0584 69.1876 172.7543 78 S 4.0067 8.4541 119.9034 61.8830 62.9703 176.9739 79 R 3.8522 7.8354 120.6541 59.6483 29.7949 178.6695 80 R 3.9986 7.6565 117.0411 59.0511 29.9596 178.6872 81 M 3.9412 8.0321 117.9980 58.5956 32.1967 178.0546 82 A 3.9781 8.3314 121.0592 55.1867 18.4663 179.4606 83 A 3.9501 7.9483 118.8750 55.3678 18.5714 179.3990 84 C 4.1289 8.3643 117.3154 62.7945 31.6976 175.8857 85 L 4.1001 8.2956 120.7243 57.5352 41.0405 179.4905 86 R 3.8758 8.2297 119.0129 59.7222 30.0495 178.3066 87 D 4.4445 8.5507 118.9948 57.6514 40.8080 178.8655 88 M 4.0871 8.0467 118.9530 58.4158 31.9567 178.4355 89 E 3.9498 8.2498 119.4777 59.1400 29.7058 178.8732 90 I 3.6697 8.0891 120.1403 64.6082 37.2629 178.4591 91 I 3.7787 8.0231 120.7175 64.2999 36.9156 178.3503 92 L 3.9158 7.9316 121.1316 57.9347 41.9638 178.8178 93 R 3.4912 8.1575 119.0727 59.7550 29.9510 178.2127 94 Y 3.6281 7.8652 116.4128 60.5198 37.7386 178.8144 95 V 3.3464 7.5285 119.7765 66.1211 31.5787 178.2712 96 T 3.9144 7.7528 109.3758 64.7844 68.3574 176.0925 97 Y 4.2842 7.6145 119.5555 61.0458 37.8382 178.2189 98 A 4.0368 7.8573 123.0510 54.4908 18.0794 179.8869 99 V 3.6402 7.4169 115.8823 65.9771 31.6841 177.7890 100 F 4.2538 8.3129 119.3762 61.3997 39.5387 176.7890 101 A 4.2396 8.7357 120.7708 52.8005 17.9235 178.5212 102 G 4.0538 9.5569 104.9792 45.4684 0.0000 172.7768 103 D 4.7049 7.6010 116.4152 51.7135 44.1704 175.6143 104 A 4.2048 8.8830 126.7672 53.1359 18.6526 179.5509 105 S 4.1533 8.3499 114.2817 61.5903 62.8204 177.0813 106 V 3.6203 7.8562 122.4211 64.2923 30.9822 177.7499 107 L 3.9132 7.9234 120.7442 57.7064 41.9782 178.4980 108 E 3.9249 8.3082 118.3803 59.5877 29.2506 179.2199 109 D 4.2464 8.0376 117.3714 57.5441 41.1338 178.2032 110 R 4.0814 7.7102 115.7810 57.3723 30.6321 176.0461 111 C 4.2118 7.3870 114.2243 60.7099 33.7655 174.8793 112 L 3.9476 8.0472 119.4366 57.2580 41.4370 176.2057 113 N 4.2318 8.1671 117.9130 54.9470 38.6440 174.0950 114 G 4.3774 8.8704 113.1226 46.3712 0.0000 174.3809 115 L 3.7655 8.3016 124.4848 57.3905 41.9534 178.8853 116 R 4.0039 7.9138 118.4131 59.5511 30.0680 178.1838 117 E 4.0144 8.1208 117.8273 59.5716 29.4662 179.3266 118 T 3.7965 7.4289 115.7653 67.0011 68.4678 176.4032 119 Y 4.4371 7.7875 118.5280 60.8832 37.2775 178.4049 120 L 3.9911 8.2137 121.2988 58.1772 42.0380 178.9561 121 A 4.1030 8.1336 119.6747 54.7329 18.3620 179.0136 122 L 4.3044 7.8457 116.5638 55.3454 41.9242 178.1006 123 G 3.9100 7.5885 105.2703 45.9001 0.0000 173.0520 124 T 4.1418 8.0598 117.1554 61.5239 69.2568 173.4400 125 P 4.3814 0.0000 0.0000 62.8276 31.7544 177.1975 126 G 3.5916 8.5112 112.7226 47.2465 0.0000 173.6694 127 S 4.1014 8.0835 115.0539 61.4879 62.3195 176.4092 128 S 4.1812 7.9281 117.1790 61.1778 62.6684 176.6077 129 V 3.4737 7.4336 120.5755 65.9030 31.1660 177.9605 130 A 4.0488 8.1629 120.5924 54.9901 18.1452 179.7936 131 V 3.5976 7.6433 116.5606 66.1643 31.6233 178.5503 132 G 3.5392 8.0379 105.5079 47.7107 0.0000 175.8908 133 V 3.7918 8.0475 120.7577 65.7258 31.5794 178.3507 134 G 3.5896 8.4504 105.9129 47.7432 0.0000 175.8065 135 K 3.9201 8.0204 120.8208 59.5307 32.0862 179.3801 136 M 3.9981 7.9585 118.9588 57.9391 31.7107 178.6829 137 K 2.0000 7.6259 119.9171 58.7865 32.3686 178.2761 138 E 3.7564 7.8088 119.1736 59.3999 29.6566 178.7421 139 A 3.9416 7.8674 120.4286 54.8584 18.3225 179.5306 140 A 3.9246 8.3429 119.6435 55.4324 18.4598 179.9077 141 L 3.9368 8.1092 117.6562 57.7305 41.4888 179.6962 142 A 3.9642 7.9187 120.6355 55.2075 18.1279 179.6751 143 I 3.6600 7.3922 116.8736 64.6555 37.2666 178.5903 144 V 3.7833 7.8481 117.9691 65.6628 31.4746 176.9229 145 N 4.8225 8.1410 113.6799 52.2935 38.7406 174.5825 146 D 4.4370 7.3905 122.1684 53.2852 41.2431 174.4395 147 P 4.3500 0.0000 0.0000 64.4317 31.6971 176.5754 148 A 4.0425 8.3015 123.6319 53.1055 18.6783 177.3206 149 G 3.9785 8.8774 110.5577 45.8068 0.0000 173.3056 150 I 4.3815 7.5177 116.1566 59.2606 40.9276 173.9120 151 T 3.8929 8.5610 123.7011 63.2320 68.6729 172.4487 152 P 4.2730 0.0000 0.0000 62.5000 31.8739 175.7919 153 G 3.8441 7.8173 109.7577 45.7054 0.0000 171.5250 154 D 4.6388 8.5878 119.1255 53.4889 41.5169 175.3922 155 C 4.7748 8.4809 123.0005 59.5777 29.4075 175.4923 156 S 4.0529 8.5001 116.0291 61.7709 61.7367 176.1980 157 A 3.9587 7.9420 122.3205 55.2723 18.1590 179.0694 158 L 3.9102 7.9977 117.9873 58.3383 42.1248 178.8506 159 A 4.0460 8.3124 120.8740 55.2891 18.3134 179.8470 160 S 4.0748 7.9332 113.3504 61.5106 62.7019 176.4851 161 E 3.6841 8.1628 122.0276 59.3215 29.5424 178.9118 162 I 4.0375 8.1709 119.9787 64.4201 37.1936 178.2534 163 A 4.2306 8.1957 121.8621 55.2798 18.2069 179.8152 164 S 4.2322 8.0723 112.6758 61.7066 62.8562 176.5179 165 Y 4.2825 7.4544 120.4291 60.9847 37.6702 177.9909 166 F 4.1690 8.1986 118.3075 60.6758 38.9159 177.4855 167 D 4.4484 8.8527 118.9234 57.5139 40.7101 178.9545 168 R 3.9391 8.3398 118.4137 59.1285 30.0842 179.0565 169 A 4.0040 8.0013 120.4666 55.4472 18.3382 179.3778 170 C 4.2005 8.3114 115.0652 63.1274 28.0078 176.4025 171 A 4.0404 8.2184 121.1212 54.9616 17.9995 179.2848 172 A 4.1014 7.8579 118.4974 54.6284 18.4345 179.3056 173 V 4.2241 7.5196 108.7226 62.4928 32.3613 176.4600 174 S 4.3597 7.7630 118.9178 58.7044 62.7782 173.8238 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 M 8.30 4.29 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 F 8.92 4.92 0.00 3.25 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 3 D 8.88 5.07 0.00 3.13 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 4 A 8.56 3.90 1.10 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 0.00 0.00 5 F 7.94 4.30 0.00 3.30 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 6 T 9.14 4.08 4.60 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 0.00 0.00 0.00 1.59 0.00 0.00 7 K 8.25 3.29 0.00 1.90 1.87 0.00 0.87 0.00 0.00 1.25 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.31 7.81 8 V 7.30 3.83 2.22 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 1.06 0.00 0.00 0.91 0.00 0.00 9 V 7.74 3.63 2.26 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 1.04 0.00 0.00 0.98 0.00 0.00 10 S 8.28 4.21 0.00 4.11 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 0.00 11 Q 7.72 3.94 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 12 A 7.98 3.95 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 0.00 0.00 0.00 0.00 0.00 13 D 8.30 4.25 0.00 2.91 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 T 7.64 4.14 4.42 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 1.21 0.00 0.00 15 R 7.31 4.51 0.00 1.99 1.94 0.00 3.31 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 16 G 8.46 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 17 E 8.28 4.77 0.00 1.90 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 0.00 2.22 2.40 0.00 18 M 8.24 4.45 0.00 2.01 1.99 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 2.57 2.55 0.00 19 L 8.22 4.09 0.00 1.65 1.62 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.41 4.46 0.00 4.05 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 21 T 8.38 3.88 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 22 A 7.92 3.99 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 23 Q 7.95 3.94 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 24 I 7.72 3.76 1.89 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 1.55 0.91 0.94 0.00 0.00 25 D 8.25 4.34 0.00 2.87 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 26 A 8.17 3.98 1.39 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 0.00 0.00 0.00 27 L 7.88 3.91 0.00 2.00 1.89 1.07 0.67 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 28 S 8.41 4.18 0.00 4.01 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 29 Q 8.34 3.96 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 30 M 7.57 3.98 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 31 V 7.87 3.75 2.33 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 1.00 0.00 0.00 1.20 0.00 0.00 32 A 7.93 4.04 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 33 E 8.09 4.23 0.00 2.11 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 2.46 2.44 0.00 34 S 7.73 4.07 0.00 4.05 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 0.00 35 N 8.29 4.28 0.00 2.79 2.94 0.00 0.00 7.12 6.95 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 36 K 8.17 4.01 0.00 1.94 1.87 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 37 R 7.95 3.92 0.00 1.87 2.11 0.00 3.08 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 38 L 8.20 4.15 0.00 1.88 1.76 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.11 4.34 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 40 A 8.08 4.01 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 0.00 0.00 0.00 0.00 0.00 41 V 7.80 3.58 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 1.11 0.00 0.00 1.17 0.00 0.00 42 N 8.46 4.35 0.00 2.93 2.97 0.00 0.00 7.30 7.82 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 43 R 8.53 3.94 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 44 I 8.06 3.94 1.93 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 1.62 1.10 1.00 0.00 0.00 45 T 8.12 3.89 4.29 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 1.20 0.00 0.00 46 S 8.30 4.42 0.00 3.86 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 47 N 7.62 4.97 0.00 2.85 2.76 0.00 0.00 6.70 7.82 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 48 A 8.12 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 57 R 7.84 3.91 0.00 2.01 2.14 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 58 S 8.05 4.05 0.00 3.95 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 59 L 7.76 3.81 0.00 1.60 1.26 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.52 4.53 0.00 3.09 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 61 A 7.86 4.20 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 62 E 8.26 4.21 0.00 2.05 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 2.30 2.34 0.00 63 Q 8.34 4.76 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 64 P 0.00 4.40 0.00 2.22 2.36 0.00 3.81 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 65 Q 8.12 4.10 0.00 2.22 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 66 L 8.40 4.09 0.00 1.96 1.88 1.09 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.43 4.28 1.75 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 1.29 0.59 0.29 0.00 0.00 68 A 7.32 4.16 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 69 P 0.00 2.97 0.00 1.69 1.33 0.00 3.44 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 70 G 8.50 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.28 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 0.00 0.00 0.00 0.00 *75 A 8.61 4.16 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 76 Y 7.68 4.22 0.00 3.02 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 77 T 7.29 3.03 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 0.62 0.00 0.00 78 S 8.45 4.01 0.00 3.80 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 79 R 7.84 3.85 0.00 1.83 1.88 0.00 3.17 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 80 R 7.66 4.00 0.00 2.05 1.96 0.00 3.21 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 81 M 8.03 3.94 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 82 A 8.33 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 83 A 7.95 3.95 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 0.00 0.00 0.00 0.00 0.00 84 C 8.36 4.13 0.00 3.17 3.26 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 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0.00 1.66 1.75 0.00 2.94 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.76 0.00 94 Y 7.87 3.63 0.00 2.96 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 95 V 7.53 3.35 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 0.20 0.00 0.00 0.53 0.00 0.00 96 T 7.75 3.91 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 97 Y 7.61 4.28 0.00 3.18 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 98 A 7.86 4.04 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.42 3.64 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 0.94 0.00 0.00 1.13 0.00 0.00 100 F 8.31 4.25 0.00 3.17 3.26 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 0.00 101 A 8.74 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.10 0.00 3.89 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 0.00 128 S 7.93 4.18 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 0.00 129 V 7.43 3.47 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 1.01 0.00 0.00 0.32 0.00 0.00 130 A 8.16 4.05 1.43 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 0.00 0.00 0.00 131 V 7.64 3.60 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 0.96 0.00 0.00 0.95 0.00 0.00 132 G 8.04 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 0.00 133 V 8.05 3.79 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 1.30 0.00 0.00 1.09 0.00 0.00 134 G 8.45 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 0.00 135 K 8.02 3.92 0.00 1.94 1.79 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.55 7.81 136 M 7.96 4.00 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.70 0.00 137 K 7.63 2.00 0.00 1.20 1.66 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.06 7.81 138 E 7.81 3.76 0.00 1.98 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 2.25 2.27 0.00 139 A 7.87 3.94 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 0.00 140 A 8.34 3.92 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 0.00 0.00 0.00 0.00 0.00 141 L 8.11 3.94 0.00 1.68 1.71 0.88 1.12 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 0.00 142 A 7.92 3.96 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 0.00 143 I 7.39 3.66 2.06 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 1.41 0.69 0.96 0.00 0.00 144 V 7.85 3.78 2.24 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 0.87 0.00 0.00 1.05 0.00 0.00 145 N 8.14 4.82 0.00 2.79 2.84 0.00 0.00 6.99 7.97 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 0.00 146 D 7.39 4.44 0.00 2.73 2.60 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 0.00 0.00 0.00 0.00 147 P 0.00 4.35 0.00 2.22 2.17 0.00 3.82 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 1.99 1.96 0.00 148 A 8.30 4.04 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 0.00 149 G 8.88 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 0.00 150 I 7.52 4.38 1.88 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 1.43 0.63 1.02 0.00 0.00 151 T 8.56 3.89 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 1.22 0.00 0.00 152 P 0.00 4.27 0.00 2.04 1.99 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 153 G 7.82 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 0.00 154 D 8.59 4.64 0.00 2.63 2.59 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 0.00 155 C 8.48 4.77 0.00 3.00 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 0.00 156 S 8.50 4.05 0.00 3.93 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 0.00 157 A 7.94 3.96 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 0.00 158 L 8.00 3.91 0.00 1.78 1.86 0.97 1.27 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 0.00 159 A 8.31 4.05 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 0.00 160 S 7.93 4.07 0.00 4.07 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 0.00 161 E 8.16 3.68 0.00 2.00 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 0.00 2.09 2.19 0.00 162 I 8.17 4.04 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.16 1.26 0.00 0.00 163 A 8.20 4.23 1.43 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 0.00 0.00 0.00 164 S 8.07 4.23 0.00 3.91 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 0.00 165 Y 7.45 4.28 0.00 3.03 2.83 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 0.00 0.00 0.00 166 F 8.20 4.17 0.00 3.33 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 0.00 167 D 8.85 4.45 0.00 2.83 2.75 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 0.00 168 R 8.34 3.94 0.00 2.14 2.19 0.00 3.36 0.00 0.00 3.49 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 169 A 8.00 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 C 8.31 4.20 0.00 3.19 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 0.00 171 A 8.22 4.04 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 0.00 172 A 7.86 4.10 1.43 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 0.00 0.00 0.00 173 V 7.52 4.22 2.24 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 1.12 0.00 0.00 1.15 0.00 0.00 174 S 7.76 4.36 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.