NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.7364 8.0232 122.2813 50.9419 20.5089 176.3106 3 P 4.3361 0.0000 0.0000 62.1935 31.9679 175.0938 4 K 4.2403 8.8735 123.7561 59.6474 33.5291 176.9476 5 A 4.8142 7.8074 118.7391 50.7173 22.9090 175.2687 6 V 4.7702 8.9818 120.9550 61.1602 34.2718 174.3206 7 L 5.2079 9.2212 128.3385 53.4365 43.9556 176.1076 8 V 4.7546 9.8151 115.8643 59.3291 36.3949 175.4725 9 G 3.3976 8.0888 108.8974 43.6000 0.0000 172.2615 10 L 4.2877 7.3534 119.0549 52.7088 42.2995 175.0562 11 P 4.3557 0.0000 0.0000 64.5705 30.3851 177.2661 12 G 4.0133 9.0424 109.4569 45.8885 0.0000 175.2212 13 S 4.0203 8.1256 114.5289 59.2607 63.2994 175.1333 14 G 4.1582 7.9120 110.0525 45.3445 0.0000 175.5100 15 K 3.9883 8.5539 120.5757 59.8396 32.4530 179.4116 16 S 4.1661 8.1077 114.1815 61.6927 62.7419 176.8433 17 T 3.9160 7.7443 117.9034 66.8142 68.4050 177.0525 18 I 3.8582 8.6399 122.8798 64.2091 36.9679 178.1465 19 G 3.9384 8.2354 106.4988 48.1636 0.0000 175.0523 20 R 3.9153 8.2227 121.0917 59.2199 30.1136 178.9440 21 R 3.9037 7.9931 117.3115 59.1034 30.0177 178.8519 22 L 3.9338 8.6701 120.6556 58.0495 42.0398 178.7913 23 A 3.9768 8.3216 121.0590 55.0558 18.4450 179.4478 24 K 3.8458 8.3074 117.9799 59.5689 32.0381 178.9180 25 A 3.9869 7.7314 119.7498 55.2417 18.5292 179.3528 26 L 4.1632 8.1267 115.2898 55.0276 41.9429 177.3495 27 G 3.8791 7.8324 106.4402 46.9773 0.0000 173.2149 28 V 4.5376 8.0138 111.8899 58.5877 35.8842 176.0242 29 G 3.8921 8.4830 108.0937 46.2003 0.0000 172.5442 30 L 5.0331 8.4508 125.2809 53.6549 43.4022 175.2009 31 L 4.4459 9.0695 129.4457 53.5494 44.0140 174.3795 32 D 5.3117 8.5276 126.8189 52.6981 42.4681 176.4138 33 T 3.9198 9.1091 119.3651 65.2005 68.5608 175.9005 34 D 4.4729 8.4644 121.4241 57.1853 40.9007 178.8334 35 V 3.5632 7.9659 117.8561 66.1568 31.6533 177.6320 36 A 4.0508 8.6322 120.6683 55.2420 17.9441 179.8070 37 I 3.7112 7.9066 118.4485 64.6576 37.2836 178.4480 38 E 4.7454 8.0884 120.0240 58.5137 28.9458 179.5788 39 Q 3.9413 7.9111 117.8743 58.8957 29.0738 177.1408 40 R 4.0284 7.9003 119.0120 59.2950 30.1884 177.3322 41 T 4.1351 8.2626 106.6853 61.6028 69.5640 176.0279 42 G 3.9352 8.1230 108.3844 45.3558 0.0000 172.9473 43 R 4.7243 7.7883 118.3981 53.6194 33.3244 175.6832 44 S 4.8349 8.2274 114.6508 58.1849 65.2829 175.4512 45 I 3.8413 8.9318 123.9206 64.4618 36.7968 178.5959 46 A 3.9419 7.9772 121.1881 55.2945 18.0530 179.3683 47 D 4.2861 8.3052 117.3749 57.5062 40.9546 178.6451 48 I 4.0264 7.7669 120.3521 64.9157 37.1043 178.4211 49 F 4.0098 8.6790 117.9562 60.1083 38.3989 177.5636 50 A 4.1716 7.7723 119.4707 55.1621 19.0151 179.4138 51 T 4.0630 8.7284 114.0720 65.9529 68.6535 175.4908 52 D 4.6371 8.7227 119.2651 53.2628 43.1270 177.8370 53 G 4.1227 7.9104 102.6072 44.6852 0.0000 173.6781 54 E 2.9409 8.4274 119.1275 59.0159 29.4484 178.8997 55 Q 4.0125 7.9514 117.0351 59.3885 28.5151 178.2833 56 E 3.8775 7.9482 120.6040 58.6596 29.8226 177.9607 57 F 4.0081 7.9283 120.8168 61.6350 39.2787 177.3161 58 R 3.8207 8.5007 117.6537 59.2287 29.7176 179.0635 59 R 3.7950 7.9402 118.3670 59.4583 30.1076 178.6947 60 I 3.6056 7.5038 119.4610 64.0979 37.1503 177.8530 61 E 3.5885 8.1482 120.4588 59.2893 29.3536 178.4388 62 E 3.9584 8.1764 119.3503 59.3409 29.6077 178.3504 63 D 4.2405 7.8222 117.8301 57.2953 41.2420 178.2815 64 V 3.5408 7.6178 118.7487 65.9814 31.3885 178.2267 65 V 3.5361 7.9737 118.2688 65.9917 31.3264 178.2516 66 R 3.8659 8.1255 117.6332 59.1166 29.9372 178.8371 67 A 3.9433 7.9763 120.2821 55.1537 18.3732 179.3842 68 A 3.9498 8.1746 119.4180 55.5380 18.1428 179.8840 69 L 3.8487 8.2586 117.3317 57.6548 41.3714 179.4982 70 A 4.2165 7.6396 119.5516 54.3312 18.8789 178.4991 71 D 4.6591 8.5115 115.9546 54.2269 41.8758 176.2739 72 H 4.7081 7.9148 119.6191 55.1194 30.6221 174.0520 73 D 5.0873 7.9756 125.0154 52.9047 41.5857 177.3586 74 G 4.0728 7.1352 110.4706 46.4581 0.0000 173.9140 75 V 4.8922 9.3065 125.2131 61.0414 33.9056 174.3703 76 L 5.1345 8.8567 129.7554 53.5331 44.5592 174.8763 77 S 5.0157 9.1103 123.5950 56.9801 64.6506 173.7668 78 L 4.6498 8.4420 125.4306 53.4792 42.8762 177.2183 79 G 4.0169 8.2499 109.3140 45.8500 0.0000 174.9100 80 G 3.9498 9.1776 111.3724 47.5582 0.0000 174.5778 81 G 4.0986 8.1218 106.5652 45.0860 0.0000 174.7909 82 A 4.6644 8.0160 125.2527 54.6041 18.4217 181.0388 83 V 3.7687 7.7487 107.6818 63.8677 31.6704 177.2571 84 T 3.9874 7.4977 108.9015 62.9381 69.2282 175.1339 85 S 4.5376 7.9848 120.6422 57.0266 64.3599 173.3159 86 P 4.4145 0.0000 0.0000 65.2245 31.1069 179.0220 87 G 4.1257 7.9475 105.9821 46.9150 0.0000 175.6951 88 V 3.5625 7.7326 120.0425 66.1547 31.3791 177.9203 89 R 3.9090 7.6869 116.0362 59.4721 30.0842 178.6459 90 A 4.1125 8.1940 120.0550 55.1475 18.2103 179.6289 91 A 4.0329 8.0192 118.1755 55.0482 18.6220 179.5901 92 L 4.1587 8.1935 117.4871 56.2760 41.5359 177.3994 93 A 4.0622 7.0959 121.8625 54.0615 18.5329 177.3698 94 G 3.9956 8.9828 111.8150 45.6937 0.0000 173.5777 95 H 4.3795 7.8241 116.0176 55.6676 29.4563 175.4746 96 T 4.2399 8.3872 118.1594 63.4376 69.2079 173.8667 97 V 4.7361 8.6887 127.8793 61.0189 34.1442 174.4949 98 V 4.6606 9.2098 129.5796 61.6473 33.1200 174.3099 99 Y 5.0856 9.3006 131.7587 56.5579 39.4288 174.5798 100 L 4.6288 8.6007 128.5851 54.3741 42.1365 176.6925 101 E 4.0828 8.6046 124.9905 55.1660 31.1127 175.6704 102 I 4.9181 8.0161 123.1765 58.8751 41.4720 174.9325 103 S 4.2962 9.2508 123.2290 58.1526 63.7066 175.1836 104 A 4.0822 8.8005 123.4568 55.4554 18.0534 180.1065 105 A 3.8340 7.8386 118.7139 55.1423 18.4816 179.3979 106 E 3.8694 8.1436 117.9793 59.1932 29.7849 179.0246 107 G 3.8122 7.8616 107.1291 47.1637 0.0000 175.3389 108 V 3.1763 6.7558 120.0115 65.9157 31.4456 178.0797 109 R 4.0480 7.5157 116.7200 58.8966 29.6934 179.1934 110 R 4.0001 7.8450 117.9327 58.7924 29.9073 177.9603 111 T 4.4952 7.8494 108.1425 61.9097 68.7851 176.7309 112 G 3.6172 7.7398 112.0551 48.1122 0.0000 175.4623 113 G 3.7435 7.7097 110.1423 43.5206 0.0000 171.0269 114 N 4.4509 8.1806 119.0443 54.1886 38.4185 176.5416 *115 T 4.0313 8.2060 113.3037 60.9081 67.9395 172.5556 116 V 3.5167 7.6364 127.0309 59.8229 29.3929 173.0474 117 R 3.2546 7.9647 112.1921 55.5085 26.6891 174.5240 118 P 4.0207 0.0000 0.0000 65.3962 31.6565 178.3969 119 L 4.1521 7.3980 115.2722 56.0306 41.9215 177.2514 120 L 4.4313 7.5627 116.6347 54.3602 42.3618 176.6226 121 A 4.0645 7.1417 121.3632 52.7458 18.9726 178.3242 122 G 3.7738 8.4570 108.0948 44.1934 0.0000 170.5188 123 P 4.6240 0.0000 0.0000 62.3833 33.6411 174.3934 124 D 4.4570 8.6181 114.1712 55.6471 38.4144 176.6498 125 R 3.9764 8.1367 119.1919 59.2156 30.1077 178.0473 126 A 3.9939 7.9941 120.1400 55.1051 18.4398 179.0236 127 E 3.8849 8.1530 117.1358 59.5238 29.7903 178.9255 128 K 3.9691 8.0849 118.4276 59.6387 32.1856 178.7283 129 Y 3.8968 8.4995 120.0664 60.8807 38.6958 178.2494 130 R 4.0834 8.4709 118.8500 59.2215 30.0844 178.9984 131 A 3.9820 8.1821 120.7432 54.7485 18.3173 179.1197 132 L 3.7835 7.9911 119.0817 58.6280 41.9864 178.8800 133 M 4.0137 8.1255 117.6456 58.6649 31.9678 177.7536 134 A 4.0238 8.0252 119.9392 55.2611 18.6145 179.4698 135 K 4.0440 7.8482 115.8409 59.8752 33.0405 178.9806 136 R 3.9016 8.2671 118.5171 57.2518 30.3497 178.3213 137 A 4.2468 8.1831 121.4023 55.1882 18.3369 177.8807 138 P 4.2094 0.0000 0.0000 65.6082 31.3961 178.9210 139 L 3.8575 7.5722 117.3201 57.8701 41.0923 178.8758 140 Y 3.9342 7.5201 116.8865 61.1098 37.4136 178.9970 141 R 4.0347 7.7011 117.6735 59.2031 30.2215 178.7322 142 R 4.0129 7.8733 117.6587 59.2407 30.1965 178.3213 143 V 3.9574 7.5290 109.3967 61.1453 32.3261 176.3487 144 A 4.3033 7.2998 122.7249 52.2275 18.8406 177.3033 145 T 4.4877 8.5240 112.2302 62.5044 70.5903 174.8061 146 M 4.8591 7.9571 121.8980 53.8501 35.9196 173.5645 147 R 5.0734 8.8057 124.4613 54.3802 32.8684 175.1748 148 V 4.2513 8.6503 124.3646 60.7681 34.3566 173.8660 149 D 4.6421 8.6795 128.4368 54.1585 41.2600 175.5867 150 T 4.3961 8.6953 116.1163 61.5395 69.4366 176.4201 151 N 4.3666 8.9399 121.4463 56.3892 38.4957 177.3466 152 R 4.6329 7.7602 112.1421 55.7610 30.0453 175.0266 153 R 4.5713 7.2614 116.1418 55.2924 32.2658 176.7653 154 N 4.7099 8.3551 120.0114 51.5611 39.9174 174.4588 155 P 4.3264 0.0000 0.0000 65.7330 31.3451 179.0112 156 G 3.6775 8.1694 103.7320 47.9746 0.0000 175.3803 157 A 4.0370 8.5782 123.4660 54.5862 18.3451 179.8821 158 V 3.4652 7.9061 116.8041 66.1277 31.5913 178.0099 159 V 3.5907 7.9478 118.2618 66.5355 31.1854 178.1888 160 R 3.9355 8.3824 117.7326 59.3795 29.6379 178.5466 161 H 4.0585 8.2479 117.3069 59.3022 30.1992 177.1130 162 I 3.8422 7.9310 121.4319 64.3992 37.0857 178.0526 163 L 3.9658 8.2323 120.3750 58.1769 41.3986 179.9765 164 S 4.2894 8.2380 111.8814 60.3006 62.9467 175.3941 165 R 4.5001 7.9634 119.8405 55.7922 30.9570 175.7526 166 L 4.1881 7.7101 123.8590 54.9913 41.6573 176.6691 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 2 A 8.02 4.74 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 3 P 0.00 4.34 0.00 2.16 2.14 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.35 0.00 4 K 8.87 4.24 0.00 1.66 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.66 1.55 7.81 5 A 7.81 4.81 1.22 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 0.00 0.00 6 V 8.98 4.77 2.20 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 0.98 0.00 0.00 0.92 0.00 0.00 7 L 9.22 5.21 0.00 1.60 1.57 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.82 4.75 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 0.88 0.00 0.00 1.05 0.00 0.00 9 G 8.09 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 0.00 0.00 0.00 10 L 7.35 4.29 0.00 1.75 1.40 0.96 1.30 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 11 P 0.00 4.36 0.00 2.15 2.02 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 12 G 9.04 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 0.00 0.00 0.00 13 S 8.13 4.02 0.00 4.07 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 14 G 7.91 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 0.00 0.00 0.00 0.00 15 K 8.55 3.99 0.00 1.85 1.91 0.00 1.94 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.49 7.81 16 S 8.11 4.17 0.00 3.87 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 17 T 7.74 3.92 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 18 I 8.64 3.86 1.96 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 1.58 1.16 0.92 0.00 0.00 19 G 8.24 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 0.00 0.00 0.00 20 R 8.22 3.92 0.00 2.03 2.11 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 21 R 7.99 3.90 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 22 L 8.67 3.93 0.00 1.77 1.75 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.32 3.98 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.31 3.85 0.00 1.92 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 25 A 7.73 3.99 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 26 L 8.13 4.16 0.00 1.63 1.74 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.83 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 28 V 8.01 4.54 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 0.69 0.00 0.00 0.94 0.00 0.00 29 G 8.48 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 0.00 0.00 0.00 30 L 8.45 5.03 0.00 1.67 1.60 0.98 0.95 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 31 L 9.07 4.45 0.00 1.20 1.24 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.53 5.31 0.00 2.75 2.53 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 33 T 9.11 3.92 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 1.20 0.00 0.00 34 D 8.46 4.47 0.00 3.02 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 35 V 7.97 3.56 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 1.07 0.00 0.00 0.95 0.00 0.00 36 A 8.63 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.71 2.12 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.99 0.00 0.00 38 E 8.09 4.75 0.00 2.09 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 0.00 2.42 2.57 0.00 39 Q 7.91 3.94 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 40 R 7.90 4.03 0.00 1.79 2.17 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 41 T 8.26 4.14 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 1.29 0.00 0.00 42 G 8.12 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 0.00 0.00 0.00 43 R 7.79 4.72 0.00 1.92 1.84 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 44 S 8.23 4.83 0.00 4.06 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 45 I 8.93 3.84 1.81 0.00 0.00 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 1.74 0.91 0.56 0.00 0.00 46 A 7.98 3.94 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 47 D 8.31 4.29 0.00 2.99 2.76 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 48 I 7.77 4.03 2.23 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 1.09 0.00 0.00 49 F 8.68 4.01 0.00 2.99 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 50 A 7.77 4.17 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 51 T 8.73 4.06 4.34 0.00 0.00 0.00 0.00 0.00 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 52 D 8.72 4.64 0.00 2.81 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 53 G 7.91 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 0.00 0.00 0.00 54 E 8.43 2.94 0.00 1.82 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 1.94 2.55 0.00 55 Q 7.95 4.01 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 56 E 7.95 3.88 0.00 2.07 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 0.00 2.54 2.41 0.00 57 F 7.93 4.01 0.00 2.87 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 58 R 8.50 3.82 0.00 1.93 1.94 0.00 3.43 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 59 R 7.94 3.80 0.00 1.84 1.86 0.00 3.06 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 1.57 1.63 0.00 60 I 7.50 3.61 1.80 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 1.35 0.66 0.82 0.00 0.00 61 E 8.15 3.59 0.00 1.16 1.73 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 2.18 2.16 0.00 62 E 8.18 3.96 0.00 2.06 2.01 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 2.27 2.29 0.00 63 D 7.82 4.24 0.00 2.87 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 64 V 7.62 3.54 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 0.99 0.00 0.00 0.90 0.00 0.00 65 V 7.97 3.54 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 1.04 0.00 0.00 0.91 0.00 0.00 66 R 8.13 3.87 0.00 2.03 1.95 0.00 3.17 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 1.64 1.72 0.00 67 A 7.98 3.94 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 68 A 8.17 3.95 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 69 L 8.26 3.85 0.00 1.81 1.65 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.64 4.22 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 71 D 8.51 4.66 0.00 2.70 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 72 H 7.91 4.71 0.00 3.07 3.36 0.00 5.92 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.98 5.09 0.00 2.53 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 74 G 7.14 4.07 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 0.00 75 V 9.31 4.89 2.12 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 0.94 0.00 0.00 0.95 0.00 0.00 76 L 8.86 5.13 0.00 1.82 1.51 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.11 5.02 0.00 3.78 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 78 L 8.44 4.65 0.00 1.77 1.65 0.93 0.94 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 79 G 8.25 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 0.00 0.00 0.00 80 G 9.18 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 0.00 0.00 0.00 81 G 8.12 4.10 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 0.00 82 A 8.02 4.66 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 83 V 7.75 3.77 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 0.82 0.00 0.00 0.47 0.00 0.00 84 T 7.50 3.99 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 1.17 0.00 0.00 85 S 7.98 4.54 0.00 3.88 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 86 P 0.00 4.41 0.00 2.13 2.08 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 87 G 7.95 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 88 V 7.73 3.56 2.32 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 1.07 0.00 0.00 0.90 0.00 0.00 89 R 7.69 3.91 0.00 1.99 1.98 0.00 3.16 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 1.63 1.89 0.00 90 A 8.19 4.11 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 91 A 8.02 4.03 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 92 L 8.19 4.16 0.00 1.90 1.76 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.10 4.06 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 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0.00 0.00 0.00 1.25 1.86 0.00 119 L 7.40 4.15 0.00 1.49 1.66 1.00 0.97 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 0.00 120 L 7.56 4.43 0.00 1.62 1.73 1.08 0.77 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 0.00 121 A 7.14 4.06 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 0.00 122 G 8.46 3.77 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 0.00 0.00 0.00 123 P 0.00 4.62 0.00 2.19 2.10 0.00 3.92 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 1.94 1.97 0.00 124 D 8.62 4.46 0.00 2.92 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 0.00 125 R 8.14 3.98 0.00 1.86 2.01 0.00 3.41 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 126 A 7.99 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 0.00 127 E 8.15 3.88 0.00 2.07 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 0.00 2.40 2.43 0.00 128 K 8.08 3.97 0.00 2.06 1.88 0.00 2.00 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 129 Y 8.50 3.90 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 0.00 130 R 8.47 4.08 0.00 2.08 2.04 0.00 3.21 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 131 A 8.18 3.98 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 0.00 132 L 7.99 3.78 0.00 1.91 1.51 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 133 M 8.13 4.01 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 134 A 8.03 4.02 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 0.00 135 K 7.85 4.04 0.00 1.89 1.92 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.67 1.40 7.81 136 R 8.27 3.90 0.00 1.62 1.25 0.00 2.93 0.00 0.00 3.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 137 A 8.18 4.25 1.54 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 0.00 138 P 0.00 4.21 0.00 2.12 2.10 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 139 L 7.57 3.86 0.00 1.41 1.45 0.75 0.82 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 0.00 140 Y 7.52 3.93 0.00 1.93 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 0.00 141 R 7.70 4.03 0.00 1.95 2.06 0.00 3.28 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 142 R 7.87 4.01 0.00 2.02 2.01 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 143 V 7.53 3.96 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 0.81 0.00 0.00 1.02 0.00 0.00 144 A 7.30 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 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.52 4.49 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 1.33 0.00 0.00 146 M 7.96 4.86 0.00 2.10 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 2.58 2.60 0.00 147 R 8.81 5.07 0.00 1.71 1.95 0.00 3.27 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 148 V 8.65 4.25 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 0.89 0.00 0.00 0.99 0.00 0.00 149 D 8.68 4.64 0.00 2.63 2.49 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 0.00 150 T 8.70 4.40 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 1.16 0.00 0.00 151 N 8.94 4.37 0.00 2.89 2.89 0.00 0.00 6.68 7.44 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 0.00 152 R 7.76 4.63 0.00 1.85 1.93 0.00 2.98 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 153 R 7.26 4.57 0.00 1.80 1.84 0.00 3.18 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 154 N 8.36 4.71 0.00 2.98 2.93 0.00 0.00 6.26 7.76 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 0.00 155 P 0.00 4.33 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 156 G 8.17 3.68 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 0.00 0.00 0.00 157 A 8.58 4.04 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 0.00 158 V 7.91 3.47 2.20 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 0.97 0.00 0.00 0.97 0.00 0.00 159 V 7.95 3.59 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 1.05 0.00 0.00 0.99 0.00 0.00 160 R 8.38 3.94 0.00 2.00 1.97 0.00 3.19 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 161 H 8.25 4.06 0.00 3.21 3.54 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 I 7.93 3.84 2.01 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 1.56 0.55 0.93 0.00 0.00 163 L 8.23 3.97 0.00 1.82 1.74 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.24 4.29 0.00 3.98 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 0.00 165 R 7.96 4.50 0.00 1.90 1.95 0.00 3.11 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 166 L 7.71 4.19 0.00 1.66 1.58 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.