NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1467 8.2649 123.5807 51.9419 19.9706 175.5521 *2 E 4.3150 8.2834 112.9693 56.9464 31.5579 175.1378 3 S 5.2107 9.1254 117.0165 56.9602 66.5998 172.9673 4 I 4.8772 8.5565 121.1829 59.2501 40.9823 174.3826 5 G 4.5105 9.1146 115.4837 44.2870 0.0000 171.2970 6 L 5.4809 9.3448 124.6715 52.9961 45.7968 175.1323 7 V 4.8485 8.9237 125.7879 61.1638 34.5470 173.6767 8 E 5.2016 10.0380 128.2089 54.6932 31.9548 175.1724 9 V 4.9102 8.9596 124.0774 60.9330 34.5528 175.9286 10 N 4.7170 9.7368 126.2586 55.7467 39.5180 175.1498 11 S 4.8689 7.8969 113.9602 56.1415 66.3231 174.5613 12 I 3.4212 8.5567 124.9132 64.6126 36.9405 178.1413 13 A 3.8509 7.9692 120.6562 55.7392 18.1414 179.7483 14 R 3.9537 7.9451 115.4709 59.2393 30.1370 179.5069 15 G 3.5075 8.1119 105.8555 47.7880 0.0000 175.9295 16 I 3.5532 7.7742 122.4915 63.8634 37.0251 178.1773 17 E 3.9330 8.0216 120.0605 58.9926 29.2328 178.6775 18 A 3.9799 8.3179 120.3461 55.0866 18.5254 179.1588 19 A 4.1245 8.0258 118.4840 55.1859 18.1831 179.0838 20 D 4.4480 8.0609 116.0117 57.3119 41.1554 178.8304 21 A 4.0221 7.7163 117.3157 53.2644 17.9304 178.8772 *23 L 4.2511 7.8389 121.6650 55.8426 43.5768 178.4129 24 K 4.1891 7.5912 116.1700 57.9727 32.5337 178.9388 25 A 3.9168 7.7940 121.1141 54.6014 18.3954 176.7397 26 A 4.2518 6.7376 116.2518 51.9052 22.4058 177.0276 27 Q 4.2821 8.5789 119.0368 55.8178 26.9570 176.0898 28 V 4.7159 7.7664 114.2120 59.3894 35.8715 174.3677 29 D 4.9445 8.9634 122.8307 52.6725 43.3344 175.4497 30 L 4.4230 8.4028 124.4852 55.0845 42.3585 176.0413 31 L 4.4159 8.9598 127.1295 56.7394 42.8260 177.0473 32 E 4.6760 7.8238 118.2825 54.8233 33.3126 173.7255 33 A 4.8908 8.3865 128.2860 50.9310 21.4447 174.9612 34 K 4.1952 7.6750 119.1835 55.7607 36.3556 173.3832 35 P 4.7141 0.0000 0.0000 62.9477 31.7987 176.6343 36 V 4.5774 8.0038 119.5335 59.9197 33.7574 175.0752 37 C 3.9527 8.6489 116.8684 58.1237 29.9135 171.5184 38 P 4.5645 0.0000 0.0000 63.4016 30.9875 176.5466 39 G 4.1544 8.4746 111.7071 44.7559 0.0000 172.8549 40 K 4.2488 7.6738 118.9332 56.7104 33.6815 175.0978 41 Y 5.1426 9.4012 124.0925 55.7100 42.1038 174.2001 42 I 5.0469 8.1362 119.3194 59.0387 41.1336 174.3788 43 V 4.9204 9.0158 124.1377 61.1690 34.6553 174.0254 44 L 5.4205 9.3975 127.9744 52.9783 44.9411 175.6200 45 I 5.3001 8.7722 115.9324 59.5955 41.8237 173.6221 46 C 5.2593 8.2531 116.5524 56.4250 33.2984 173.9651 47 G 3.8728 7.8270 104.7571 47.1436 0.0000 172.2312 48 D 4.8370 8.6160 120.4153 54.3998 41.6985 177.6402 49 V 3.2405 7.7807 120.1801 66.0861 32.3617 178.2766 50 A 3.9874 7.9490 119.9598 54.8568 18.4516 179.3419 51 A 3.9063 7.8839 118.9129 55.4366 18.5219 179.8611 52 V 3.5448 8.2322 117.1748 66.1664 31.5164 178.0271 53 Q 3.9137 8.0349 119.4447 59.0324 28.7858 178.4294 54 S 4.0948 7.9839 116.0399 61.3913 62.9301 176.3435 55 S 4.0621 8.0816 115.8364 61.4783 62.0504 176.4398 56 V 3.5751 8.0051 120.9656 66.3684 31.2007 177.9986 57 T 3.8219 7.9039 115.2265 66.5104 68.0324 176.2672 58 A 4.0803 8.2296 122.1895 55.2289 18.4980 179.6843 59 G 3.6831 7.8438 102.7569 47.9621 0.0000 175.7077 60 K 4.1522 8.3422 121.4006 59.3889 31.7740 179.2206 61 T 4.0843 7.7250 111.2764 65.0205 68.2586 174.8554 *63 A 4.3053 7.9442 125.5001 50.3409 21.8633 180.3555 64 A 3.5318 8.0848 116.9396 53.9645 18.4427 179.3922 65 H 4.4769 9.3114 118.7751 58.6826 29.2658 175.6410 66 S 4.6219 8.0476 114.4732 57.7944 63.1686 173.8063 67 V 4.2000 7.3575 121.3813 63.2693 31.7495 175.4301 68 L 4.5897 9.0713 127.5697 56.3375 43.1318 176.4749 69 D 4.8537 7.6806 115.7938 53.1196 44.5734 173.9768 70 D 5.3066 8.6525 123.3668 51.9277 42.7343 174.3584 71 F 5.0147 9.2182 122.0774 57.2244 43.5071 172.8768 72 I 4.6727 6.9834 124.0860 59.2827 40.9607 174.3766 73 L 4.4855 8.6668 129.4483 52.2693 43.9795 173.7466 74 P 4.7684 0.0000 0.0000 62.2428 32.3695 175.7466 75 N 4.2127 8.5119 116.6598 54.3802 35.8344 175.2570 76 V 4.0181 7.7473 116.6921 61.3167 32.8947 175.8679 77 H 4.2309 10.0377 124.0762 55.2867 30.4796 174.3433 78 P 4.2675 0.0000 0.0000 66.5510 30.5588 178.5769 79 Q 4.2080 8.1708 118.3252 57.8215 28.7320 178.2253 80 V 3.5871 7.8727 119.6307 65.9621 31.5179 178.1485 81 L 3.9839 7.8365 118.2510 58.1006 41.5114 179.3647 82 T 3.9404 8.0107 110.3776 64.1046 68.3188 176.1932 83 A 3.9876 8.0153 122.8183 54.9424 18.6995 179.2067 84 I 3.8279 7.7888 118.5085 64.4632 36.7249 179.3649 85 S 4.5093 8.3016 113.5898 58.6889 64.1996 174.0136 86 A 3.7934 8.0231 121.5159 53.9044 16.0666 178.1436 87 A 4.6399 7.9488 118.4349 51.8321 22.0625 177.0775 88 T 3.9749 7.8492 108.2717 61.0147 69.2788 172.7319 89 P 4.4269 0.0000 0.0000 61.9459 32.0627 175.8681 90 L 3.9797 8.4333 119.2547 55.4638 41.7253 176.9436 91 T 4.4749 8.2012 113.6766 59.0757 70.7880 173.3869 92 L 3.9472 8.5296 127.6461 54.9910 41.9838 176.0126 93 I 4.2107 8.2335 120.7691 60.1663 40.1775 173.5955 94 K 4.1049 8.9520 122.9958 56.5594 31.3117 178.8416 95 A 4.5987 5.8000 127.9254 51.7948 20.5781 178.1462 96 L 5.0497 9.2231 123.4239 53.3087 44.6413 175.3927 97 G 4.4973 9.1491 114.2513 44.6476 0.0000 172.1191 98 I 5.2592 8.5938 122.9312 59.4363 41.4950 174.2349 99 I 4.8111 9.0005 127.7663 59.3868 40.3927 174.2664 100 E 5.1992 9.1179 126.8847 54.7119 32.6580 174.3910 101 T 4.8720 8.6700 116.1643 59.7620 72.2067 175.0203 102 F 4.4777 8.8763 120.3295 59.1831 39.7215 176.5174 103 S 4.7895 7.6083 115.0691 55.7208 67.1591 175.0514 104 I 3.6870 8.2567 123.8054 64.2311 36.8475 178.5975 105 A 3.4173 7.7467 121.4793 55.0378 18.1894 179.5658 106 S 3.9041 7.9069 112.6626 61.4171 62.8812 176.4111 107 L 3.8707 7.8880 123.7400 57.9411 41.7749 178.9043 108 I 3.6605 7.8309 119.9076 64.4518 37.0309 178.3826 109 V 3.6232 7.8800 118.7908 66.0675 31.3035 177.9629 110 A 4.1384 8.4737 121.5211 54.6021 18.2136 179.3540 111 A 3.9390 8.4642 119.7054 55.4147 18.5678 179.4316 112 D 4.2733 8.3925 116.6576 57.8065 41.1224 178.5796 113 T 3.8764 8.1374 115.3403 66.3916 68.7556 176.1408 114 A 4.2628 8.4686 122.8603 55.4172 18.2679 179.6525 115 A 3.8923 8.0836 117.8782 55.0049 18.4447 179.4870 116 K 4.2739 7.7392 115.5225 57.0598 32.5215 176.9776 117 T 4.3151 7.6335 111.0260 60.4367 69.9753 175.3581 118 G 4.0245 8.4701 117.3465 45.7960 0.0000 173.1178 119 Q 4.4654 8.4476 115.3875 54.0961 28.0057 174.6823 120 V 4.7837 7.7129 113.8919 59.2755 36.4212 174.1407 121 D 5.1436 8.6295 121.0605 52.2911 43.8771 175.9035 122 L 4.4333 8.7084 123.5978 55.4568 41.9734 176.6893 123 V 4.2735 9.3072 124.4668 64.3348 32.6672 175.5311 124 E 4.8198 8.0300 116.7765 55.1554 33.2728 173.5530 125 I 4.8392 8.1662 120.8291 59.5637 40.6616 175.3459 126 R 4.2305 8.3176 125.6320 54.1852 32.3670 174.8016 127 I 3.9864 8.0072 125.3455 61.6837 37.9365 175.2122 128 G 3.6876 8.6867 110.7875 44.2118 0.0000 174.1998 *130 G 3.9601 8.3546 102.5214 45.2820 0.0000 171.4738 131 I 4.6422 7.3470 118.4246 60.4463 38.6469 178.5056 132 G 4.0616 10.2724 109.3993 44.7311 0.0000 175.0473 133 G 4.0014 8.3358 106.5624 44.4838 0.0000 173.6006 134 K 4.4076 7.7504 119.3842 56.6324 32.7488 176.5396 135 S 5.1583 9.0158 120.2433 56.9139 66.9691 172.8932 136 F 5.6438 8.3058 115.3042 55.6717 41.6033 173.4068 137 V 5.1044 9.1434 120.2231 60.1802 34.2529 174.4594 138 T 5.4045 8.8335 113.7220 60.0978 71.7888 172.8779 139 L 5.1768 8.9279 122.9022 54.8440 44.6935 174.4000 140 T 5.6869 8.8745 109.3676 58.4379 73.1587 172.9685 141 G 4.2272 7.9039 105.8622 46.4816 0.0000 171.6773 142 D 4.9022 7.9675 119.3275 52.7088 40.4922 177.4832 143 V 3.5452 8.3853 118.3490 66.0337 31.5142 177.7926 144 A 3.9691 8.0052 120.0374 55.2065 18.3421 179.5097 145 S 4.0598 8.5426 113.7995 61.8349 62.8624 177.2304 146 V 3.5780 7.7224 120.6875 66.0470 31.1617 177.7698 147 E 3.9425 8.4336 118.7463 59.1870 29.2029 178.9986 148 S 4.4132 7.9437 112.4933 59.7848 63.5816 176.3763 149 S 4.6656 7.8425 118.8291 60.8405 62.0555 176.2835 150 V 3.6684 8.1824 115.0972 63.8936 31.0714 178.4351 151 A 3.9822 7.6165 120.1450 54.9209 18.2618 179.3260 152 A 4.1629 7.6694 118.5570 55.3318 18.3871 179.8873 153 G 3.7757 8.2761 104.1262 46.8172 0.0000 173.9517 154 V 4.1724 7.2534 122.3028 61.9280 28.9048 176.3217 *156 L 4.1932 7.4759 122.1825 54.9840 44.0345 179.6560 157 A 4.0216 8.1793 118.1722 55.4497 18.5237 179.1461 158 S 4.2023 8.2256 111.4024 61.6007 62.2653 176.1987 159 E 4.0516 8.2006 119.7952 58.9135 29.2783 178.3624 160 R 4.5571 7.5502 114.6415 54.2617 31.5119 176.1821 161 G 3.7021 7.4740 109.5533 45.5953 0.0000 171.2983 *163 L 3.9541 7.7992 122.3257 55.1497 43.1963 176.6528 164 V 3.3104 8.3534 126.8178 63.8574 31.8179 175.1028 165 D 4.5284 7.1845 116.9149 54.1868 44.3046 173.8580 166 K 5.6355 8.3267 118.3767 55.6513 35.8485 175.7682 167 V 4.5516 8.1626 112.6954 59.8882 36.4399 173.9489 168 V 4.7508 8.4036 123.3092 61.2532 33.7838 174.7451 169 I 4.2976 8.8055 129.5795 59.1760 38.0967 174.9141 170 P 4.1787 0.0000 0.0000 65.0864 31.4040 176.7160 171 S 4.7136 7.5239 114.9008 55.2575 63.2879 171.0452 172 P 4.3349 0.0000 0.0000 62.0705 32.1001 176.2880 173 H 4.1922 8.7271 121.9213 56.2052 30.5976 175.7964 174 D 4.3812 8.3560 124.3103 57.7470 40.7908 177.7896 175 H 4.7018 8.3196 113.5158 56.2167 28.6800 175.4631 176 L 4.5595 8.0456 120.6028 55.3747 42.9147 177.8235 177 K 4.1502 7.8713 116.0049 57.7776 32.9986 177.2637 178 R 4.2826 7.7068 121.6826 54.5100 28.7088 175.8557 179 C 4.2202 7.9857 119.8357 60.5942 28.1129 174.6676 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 0 A 8.26 4.15 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 *2 E 8.28 4.32 0.00 1.96 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 0.00 2.29 2.34 0.00 3 S 9.13 5.21 0.00 3.67 3.69 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 4 I 8.56 4.88 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.78 1.03 0.00 0.00 5 G 9.11 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.34 5.48 0.00 1.79 1.68 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.92 4.85 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 0.96 0.00 0.00 0.96 0.00 0.00 8 E 10.04 5.20 0.00 1.92 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 2.24 2.24 0.00 9 V 8.96 4.91 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 0.95 0.00 0.00 1.00 0.00 0.00 10 N 9.74 4.72 0.00 2.90 2.85 0.00 0.00 6.97 5.36 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 11 S 7.90 4.87 0.00 3.91 3.73 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 12 I 8.56 3.42 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.68 0.81 0.00 0.00 13 A 7.97 3.85 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 14 R 7.95 3.95 0.00 1.80 1.98 0.00 3.28 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 15 G 8.11 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.55 1.81 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.34 0.84 0.00 0.00 17 E 8.02 3.93 0.00 2.02 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 0.00 2.29 2.30 0.00 18 A 8.32 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 19 A 8.03 4.12 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 20 D 8.06 4.45 0.00 2.94 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 21 A 7.72 4.02 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 *23 L 7.84 4.25 0.00 1.68 1.79 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.59 4.19 0.00 2.05 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.51 7.81 25 A 7.79 3.92 1.29 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 0.00 0.00 0.00 26 A 6.74 4.25 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 27 Q 8.58 4.28 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 28 V 7.77 4.72 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 0.72 0.00 0.00 0.93 0.00 0.00 29 D 8.96 4.94 0.00 2.63 2.56 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 0.00 0.00 0.00 0.00 30 L 8.40 4.42 0.00 1.65 1.58 1.04 1.00 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 31 L 8.96 4.42 0.00 1.66 1.68 0.95 0.73 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 32 E 7.82 4.68 0.00 2.00 1.68 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 2.20 2.28 0.00 33 A 8.39 4.89 1.29 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 0.00 0.00 0.00 34 K 7.67 4.20 0.00 1.69 1.73 0.00 1.24 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.13 1.20 7.81 35 P 0.00 4.71 0.00 2.00 2.15 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 36 V 8.00 4.58 2.05 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 0.64 0.00 0.00 0.92 0.00 0.00 37 C 8.65 3.95 0.00 3.12 3.12 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 38 P 0.00 4.56 0.00 2.21 2.13 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 39 G 8.47 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.67 4.25 0.00 1.95 1.82 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.47 7.81 41 Y 9.40 5.14 0.00 3.07 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 42 I 8.14 5.05 1.83 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 0.99 0.42 0.87 0.00 0.00 43 V 9.02 4.92 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 1.10 0.00 0.00 1.12 0.00 0.00 44 L 9.40 5.42 0.00 1.54 1.51 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.77 5.30 1.91 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 1.30 0.95 0.96 0.00 0.00 46 C 8.25 5.26 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.83 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 48 D 8.62 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0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.05 4.62 0.00 4.04 4.09 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 67 V 7.36 4.20 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 0.83 0.00 0.00 0.97 0.00 0.00 68 L 9.07 4.59 0.00 1.53 1.71 0.95 0.19 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 69 D 7.68 4.85 0.00 2.79 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.65 5.31 0.00 2.69 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 71 F 9.22 5.01 0.00 3.12 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 72 I 6.98 4.67 1.62 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 1.11 0.64 0.74 0.00 0.00 73 L 8.67 4.49 0.00 1.61 1.55 1.05 0.82 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 74 P 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 1.21 0.00 0.00 83 A 8.02 3.99 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 84 I 7.79 3.83 2.06 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 1.54 0.59 0.88 0.00 0.00 85 S 8.30 4.51 0.00 4.05 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 86 A 8.02 3.79 1.29 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 0.00 0.00 0.00 87 A 7.95 4.64 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 88 T 7.85 3.97 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 1.28 0.00 0.00 89 P 0.00 4.43 0.00 2.20 2.11 0.00 3.78 0.00 0.00 3.66 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 90 L 8.43 3.98 0.00 1.66 1.69 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.20 4.47 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 1.24 0.00 0.00 92 L 8.53 3.95 0.00 1.63 1.66 0.92 1.07 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 93 I 8.23 4.21 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 1.42 0.60 0.96 0.00 0.00 94 K 8.95 4.10 0.00 2.01 1.39 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 95 A 5.80 4.60 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 96 L 9.22 5.05 0.00 1.69 1.50 0.99 1.07 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 97 G 9.15 4.50 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 0.00 0.00 0.00 98 I 8.59 5.26 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.79 0.00 0.00 99 I 9.00 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0.00 1.00 0.00 0.00 124 E 8.03 4.82 0.00 1.95 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 2.28 2.25 0.00 125 I 8.17 4.84 1.79 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 0.64 0.80 0.00 0.00 126 R 8.32 4.23 0.00 0.67 1.42 0.00 3.14 0.00 0.00 3.02 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.04 0.00 127 I 8.01 3.99 1.78 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 0.28 0.84 0.00 0.00 128 G 8.69 3.69 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 0.00 0.00 0.00 *130 G 8.35 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 0.00 0.00 0.00 131 I 7.35 4.64 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 0.82 0.93 0.00 0.00 132 G 10.27 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 0.00 133 G 8.34 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 0.00 0.00 0.00 134 K 7.75 4.41 0.00 1.69 1.76 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.53 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.52 7.81 135 S 9.02 5.16 0.00 3.69 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.31 5.64 0.00 3.15 3.06 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 0.00 137 V 9.14 5.10 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 1.02 0.00 0.00 1.00 0.00 0.00 138 T 8.83 5.40 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 1.38 0.00 0.00 139 L 8.93 5.18 0.00 1.80 1.79 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 140 T 8.87 5.69 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 1.26 0.00 0.00 141 G 7.90 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 0.00 0.00 0.00 0.00 142 D 7.97 4.90 0.00 2.83 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 0.00 143 V 8.39 3.55 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 1.11 0.00 0.00 0.93 0.00 0.00 144 A 8.01 3.97 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 0.00 145 S 8.54 4.06 0.00 4.00 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 0.00 146 V 7.72 3.58 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 1.13 0.00 0.00 1.05 0.00 0.00 147 E 8.43 3.94 0.00 2.23 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 2.47 0.00 148 S 7.94 4.41 0.00 4.06 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 0.00 149 S 7.84 4.67 0.00 4.08 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 0.00 150 V 8.18 3.67 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 0.80 0.00 0.00 0.92 0.00 0.00 151 A 7.62 3.98 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 0.00 152 A 7.67 4.16 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 0.00 153 G 8.28 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 0.00 154 V 7.25 4.17 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 1.05 0.00 0.00 0.95 0.00 0.00 *156 L 7.48 4.19 0.00 1.75 1.75 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.18 4.02 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 0.00 158 S 8.23 4.20 0.00 3.93 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 0.00 159 E 8.20 4.05 0.00 2.15 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 2.32 2.41 0.00 160 R 7.55 4.56 0.00 1.82 1.96 0.00 3.32 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 161 G 7.47 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *163 L 7.80 3.95 0.00 1.66 1.68 0.92 1.05 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 0.00 164 V 8.35 3.31 1.80 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 0.63 0.00 0.00 -0.43 0.00 0.00 165 D 7.18 4.53 0.00 2.66 2.40 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 0.00 166 K 8.33 5.64 0.00 1.71 1.75 0.00 1.07 0.00 0.00 2.35 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.35 7.81 167 V 8.16 4.55 2.05 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 0.72 0.00 0.00 0.88 0.00 0.00 168 V 8.40 4.75 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 0.81 0.00 0.00 0.98 0.00 0.00 169 I 8.81 4.30 1.86 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 1.21 0.60 0.90 0.00 0.00 170 P 0.00 4.18 0.00 2.17 2.09 0.00 3.52 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 2.10 2.10 0.00 171 S 7.52 4.71 0.00 3.80 3.75 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 0.00 172 P 0.00 4.33 0.00 2.04 1.99 0.00 3.73 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 2.12 2.20 0.00 173 H 8.73 4.19 0.00 3.13 3.15 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 D 8.36 4.38 0.00 2.58 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 0.00 175 H 8.32 4.70 0.00 3.17 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.05 4.56 0.00 1.85 1.71 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.87 4.15 0.00 1.75 1.86 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 178 R 7.71 4.28 0.00 2.02 1.90 0.00 3.46 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 179 C 7.99 4.22 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.