NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.5709 8.3349 116.7884 58.2014 66.0141 173.8259 0 H 4.9095 7.6766 117.4277 55.1959 29.2294 172.8700 2 R 5.0835 9.0209 126.9713 55.5083 34.8631 173.3905 3 T 5.1089 9.5017 112.3584 59.8437 72.1948 172.6686 4 L 5.2094 8.9398 125.0662 53.3738 45.3954 174.7764 5 A 5.1404 9.0539 128.2595 50.4678 21.7094 175.8705 6 V 4.7391 8.5432 120.7250 61.3103 34.9224 174.1177 7 I 4.6647 8.8547 129.5892 59.7350 39.0735 174.6311 8 S 5.0435 9.0118 121.6761 56.0680 65.1332 173.8002 9 A 4.7508 8.4811 127.8930 51.6326 19.7593 176.4505 10 G 3.7504 8.2272 107.0097 46.8419 0.0000 174.4586 11 L 4.4175 8.3926 121.5166 55.7420 42.8417 177.4762 12 S 4.4523 7.8837 113.8240 58.5455 63.5021 173.7903 13 T 4.5674 7.9907 111.8284 59.6840 70.3693 172.1021 14 P 4.3350 0.0000 0.0000 62.5664 32.2132 175.9765 15 S 4.6179 8.3789 114.4597 57.2184 64.0404 175.2498 16 S 4.7626 8.4812 126.8596 61.6491 62.9343 176.5291 17 T 3.8513 7.9434 117.9703 66.8615 68.0791 176.3802 18 R 4.0555 8.0078 121.7646 58.6803 30.1975 178.5447 19 Q 3.9855 7.9738 118.0388 59.1437 28.7781 178.7682 20 I 3.8105 7.9976 119.2362 63.8076 37.9118 177.7326 21 A 4.0173 7.9668 121.6216 55.1198 18.0652 179.3883 22 D 4.3649 8.2667 119.1468 57.1439 40.9728 179.1711 23 S 4.1024 8.1968 115.7170 61.3942 62.7130 176.8853 24 I 3.6590 7.9456 122.9598 64.3818 36.6104 178.3674 25 S 4.1784 8.2590 115.2089 61.8061 62.5663 176.4487 26 E 3.9443 8.5565 122.0580 59.0142 29.2012 179.1866 27 A 3.9495 7.7733 120.4244 55.1009 18.3867 179.8389 28 V 3.5781 8.2424 117.2328 66.3582 31.5512 178.4021 29 T 3.8374 8.1394 115.3825 66.6349 68.3133 176.5198 30 A 3.9864 8.2019 122.5017 55.0917 18.0951 179.5932 31 A 3.9727 8.5280 119.7215 55.1491 18.5218 179.9978 32 V 3.5969 8.2712 117.2338 65.7548 31.5755 178.3091 33 S 4.7177 8.2918 114.5022 60.7808 62.0253 175.9456 34 A 4.1059 7.9075 122.5137 54.5647 18.1434 178.7773 35 R 4.3457 7.3677 114.4431 55.8840 30.4152 176.6106 36 G 3.8055 9.1254 106.5504 45.8439 0.0000 172.9845 37 E 4.8012 8.1582 116.8066 54.9262 35.2099 173.9857 38 A 4.9988 8.5280 121.4910 50.2055 21.9013 175.2091 39 L 5.1004 8.4621 122.8585 53.2972 44.5592 175.3400 40 S 4.9383 9.4189 121.6122 56.6939 64.5570 172.9557 41 V 4.8864 8.2972 125.0900 59.9119 34.3428 174.8165 42 S 4.5614 8.9600 118.6108 56.9713 64.5246 172.4190 43 T 4.8792 8.4505 124.4405 62.3479 69.7922 174.5211 44 I 4.2059 8.9128 128.3608 59.5674 39.2690 175.3738 45 E 4.6162 8.5786 128.4021 54.9559 29.2604 177.4211 46 L 4.0059 8.7669 126.7184 57.6055 41.9084 180.3199 47 S 4.2246 8.0209 111.8932 60.6716 63.1626 174.5552 48 E 4.4895 8.2989 119.5971 56.2761 29.4142 176.1795 49 L 4.9487 7.8097 117.8144 54.4681 43.0360 178.3407 50 I 3.6895 8.0847 120.3270 64.2622 37.2783 175.5142 51 P 4.4055 0.0000 0.0000 66.0498 31.5596 177.1781 52 D 4.5525 8.3675 118.7864 57.1791 40.7547 180.4249 53 L 4.3851 8.0668 118.5041 54.9722 41.0941 178.9057 *55 T 4.3733 8.1936 115.7697 63.8220 70.1860 178.4710 56 A 4.8784 8.0340 122.0761 51.7602 17.3283 178.5194 *58 T 4.3893 7.9192 110.8391 63.0867 70.8339 173.7104 59 T 4.7140 7.8609 118.0412 62.0618 72.5789 173.9920 60 R 4.5217 8.4517 119.3105 56.1448 29.7606 176.5088 61 V 3.7691 7.6086 118.8419 63.3124 32.0708 174.6796 62 H 4.8040 8.6073 124.4464 54.1090 30.3018 175.4670 63 T 4.1869 8.2080 115.0170 61.5472 70.9197 175.4519 64 T 3.8321 8.3703 117.8475 66.5736 68.3988 176.7358 65 K 3.8961 7.9498 120.9807 59.5833 32.2937 178.5573 66 L 4.0291 8.1528 120.7161 57.9863 41.9883 178.4870 67 E 3.9536 8.5118 119.7667 59.1859 29.4844 178.6707 68 E 4.0298 8.2178 118.6881 59.1227 29.5298 179.3538 69 I 3.7227 7.7864 120.1748 64.7113 37.3021 178.6771 70 T 4.0796 8.2007 110.7961 64.7923 68.2656 176.7948 71 S 4.0919 7.8717 117.0913 61.3154 63.3206 176.0924 72 A 4.1180 8.2107 123.6512 54.9976 18.0551 178.9923 73 L 3.8809 8.3922 119.1941 58.9142 41.9386 179.6059 74 S 4.2658 8.1613 113.4493 60.7002 62.8242 175.5619 75 A 4.5296 7.3705 121.0066 51.1367 19.1920 177.2575 76 S 4.9339 7.3471 113.9127 58.2301 63.6505 173.8269 77 D 4.7229 8.4521 121.3978 55.7030 41.7688 177.2036 78 G 4.3410 7.8218 103.7965 44.6076 0.0000 171.4474 79 L 5.4108 8.8914 122.3903 53.0312 45.9304 175.2326 80 V 4.8801 8.9812 125.5417 61.1983 34.4860 174.3488 81 V 5.1469 8.9356 120.8293 59.6136 35.0623 174.6343 82 A 5.5574 9.1471 125.6404 49.5828 22.7188 174.8415 83 T 4.7404 8.0645 115.6837 59.5669 71.3745 171.7204 84 P 4.9350 0.0000 0.0000 62.3465 33.3660 174.8086 85 V 4.4719 7.5802 119.4070 61.2247 33.1079 175.0241 86 F 5.2506 8.9459 126.7472 56.9596 41.6970 175.5492 87 K 4.1244 9.7149 123.9284 57.6498 29.5110 174.5256 88 A 3.3473 8.1705 114.3219 52.8168 16.1606 177.3575 89 S 4.3433 7.4066 112.6799 59.1453 66.0618 174.2251 90 Y 4.5198 7.6776 120.0170 56.5434 38.4172 176.3512 91 T 4.2956 8.2271 117.6020 63.4060 70.0564 176.1394 92 G 3.8405 8.9955 111.8370 48.0172 0.0000 175.4278 93 L 4.2146 8.0579 121.3020 57.7691 42.4476 178.2869 94 F 4.3642 8.2760 120.1764 61.0562 39.5265 178.9439 95 K 3.8524 8.5300 120.3985 56.1393 31.4531 178.2749 *97 F 4.4931 8.1102 121.2692 57.7948 40.8514 176.6018 98 F 3.7962 7.5856 117.3630 59.8524 38.9709 177.4310 99 D 4.4294 7.9812 120.1534 57.0760 40.7055 177.8080 100 I 3.8369 7.0109 117.9864 63.2516 37.3494 176.6276 101 L 4.0371 6.8416 119.3286 54.1040 42.3013 176.5959 102 D 4.5980 8.2210 120.4705 54.2516 41.7067 177.8354 103 T 3.8489 8.6033 117.8728 67.1121 68.3765 175.3223 104 D 4.6921 7.9373 117.0471 53.2569 39.6890 176.8811 105 A 4.1397 7.7888 124.7767 55.3142 18.6258 179.7861 106 L 4.7622 7.5901 114.6837 54.4729 42.5980 176.3050 107 T 3.5178 8.0580 116.1879 64.7430 68.4819 170.6885 108 G 3.5953 8.6115 123.1416 44.3788 0.0000 170.6855 *110 P 4.4811 0.0000 0.0000 62.3781 33.2059 176.1031 111 T 5.8900 8.7523 118.6392 61.9754 73.8287 172.7053 112 I 4.8380 8.3988 124.3154 59.5361 40.3704 174.3932 113 I 4.7023 8.4156 120.6466 59.6640 39.8000 174.5611 114 A 5.3645 9.1385 126.2304 50.6377 23.0122 174.5808 115 A 5.3222 8.9018 120.5230 50.6435 23.3003 175.0098 116 T 4.3724 7.9170 111.6926 61.0736 71.2720 172.7191 117 A 4.2397 7.9183 127.1519 51.6320 22.3636 176.0583 118 G 3.6781 9.0187 103.5335 48.5499 0.0000 176.5511 119 S 4.7636 7.7445 115.9768 56.4628 65.5522 173.6072 120 A 4.7409 8.2232 120.8773 51.9021 19.2967 178.6302 121 R 3.8573 7.7291 113.4847 58.8599 29.6129 177.2829 122 H 4.9372 7.8315 115.4424 55.6480 29.4375 176.2455 123 S 2.7900 7.5803 116.4696 59.4655 62.4130 175.3046 124 L 4.1803 7.6471 123.9568 58.4020 40.1516 179.0724 125 V 3.7064 7.7748 120.2532 64.2331 31.1365 178.3237 126 L 4.0834 7.9444 120.0245 57.5889 41.4490 178.0122 127 D 4.6958 7.7906 114.8372 54.4049 40.9730 176.4805 128 Y 4.6165 7.8416 114.3306 57.4773 40.1003 175.2256 129 A 4.6386 7.8457 121.6913 53.0568 22.5662 178.5997 130 L 4.0694 8.4504 115.4332 57.9516 41.7028 179.4238 131 R 3.8930 8.3983 118.9925 59.3230 29.9137 176.7083 132 P 4.2502 0.0000 0.0000 65.3663 31.1750 178.2792 133 L 4.0124 7.6156 117.6794 58.3637 42.3407 178.8675 134 L 4.1764 8.2624 118.9753 57.4945 41.2777 179.7821 135 S 4.1686 8.1313 115.0263 61.4580 63.0377 176.7512 136 Y 4.2067 8.1206 122.8394 57.9119 39.7089 176.7750 *138 R 4.3275 7.9060 113.6982 55.3275 32.7496 175.6484 139 A 4.6730 8.4866 120.8797 51.4252 19.6341 179.0600 140 V 4.1424 8.2593 119.7753 60.0821 32.5052 174.2374 141 V 4.3777 8.1045 127.0816 62.3689 32.0960 176.0025 142 V 3.7952 8.4999 122.1261 60.7296 31.6064 174.6402 143 P 4.2320 0.0000 0.0000 66.1650 31.2668 176.9127 144 T 4.1747 7.7618 115.0434 62.8262 66.8881 174.5134 145 G 4.0106 8.2121 113.2590 45.5441 0.0000 170.7780 146 V 4.5469 8.7133 120.5679 60.8960 34.1967 174.2013 147 F 5.0527 9.2772 130.6025 56.4507 41.3539 174.5694 148 A 4.0269 8.6273 130.2598 50.7744 19.7926 176.0982 149 A 4.5833 8.4420 125.3533 50.3779 19.6540 177.3304 150 T 2.0000 8.0952 112.9842 64.9266 68.5570 176.0711 151 E 4.0146 7.2014 118.9841 57.7547 29.4009 176.8947 152 D 4.7538 7.6817 117.9656 53.7386 41.5136 176.2769 153 F 4.4260 7.7245 119.5059 59.4513 38.8015 174.2414 154 G 4.1982 10.2784 111.7979 44.0849 0.0000 174.4007 155 G 3.9094 8.6955 108.5360 45.2095 0.0000 171.7256 156 P 4.1803 0.0000 0.0000 65.7970 31.2644 177.7559 157 E 4.0461 8.2592 116.3705 59.8425 29.5806 179.7524 158 G 3.7916 7.9987 105.0398 47.9743 0.0000 175.0040 159 A 4.0242 7.9292 123.4946 55.2762 18.3714 179.7378 160 E 3.9730 8.3419 116.6430 59.0555 29.3705 179.3901 161 F 4.2099 8.3558 121.1001 61.5878 39.5729 177.0567 162 N 4.0695 8.1935 115.9295 55.7555 38.3195 177.4424 163 K 3.8496 7.6362 121.5057 59.3627 32.3338 178.8335 164 R 3.8000 8.1857 119.3188 59.5482 29.9572 178.2950 165 I 3.4661 7.5767 119.6600 64.5144 36.9957 178.2715 166 A 3.9093 7.8444 121.2866 54.9025 18.1175 179.7327 167 R 3.7760 7.7869 117.0097 59.5096 30.1951 178.6327 168 A 3.9801 8.1389 120.4460 54.8441 18.3409 179.4205 169 A 4.0020 8.2055 119.7340 55.2818 18.4156 179.9014 170 G 3.6321 8.1596 104.2522 48.2274 0.0000 175.5770 171 E 3.9618 8.1578 121.2291 58.8417 29.4132 179.3817 172 L 3.8691 8.0025 120.0138 58.0776 42.2436 178.5029 173 A 3.9672 8.4041 121.0607 55.4979 17.9860 179.5698 174 S 4.0692 8.2895 113.6078 61.9633 62.7322 177.0937 175 L 4.0145 7.4853 119.6792 57.8659 41.5113 179.3404 176 I 3.8333 8.3052 119.9857 64.6359 36.9732 178.6404 177 V 3.8575 8.0379 111.6599 63.0821 31.4812 177.6475 178 E 4.1464 7.7079 119.0613 57.7967 29.7746 176.5878 179 E 4.1947 7.2936 117.1539 56.2801 30.2742 176.7976 180 S 4.2774 8.3426 113.7778 58.5634 62.7273 173.6852 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 S 8.33 4.57 0.00 3.71 3.81 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 0 H 7.68 4.91 0.00 3.15 2.65 0.00 5.66 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 9.02 5.08 0.00 1.94 1.77 0.00 3.13 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 3 T 9.50 5.11 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 4 L 8.94 5.21 0.00 1.73 1.61 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 5 A 9.05 5.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.54 4.74 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 0.98 0.00 0.00 0.93 0.00 0.00 7 I 8.85 4.66 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.05 0.64 0.00 0.00 8 S 9.01 5.04 0.00 3.84 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 9 A 8.48 4.75 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 10 G 8.23 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 0.00 0.00 0.00 11 L 8.39 4.42 0.00 1.78 1.81 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.88 4.45 0.00 3.89 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 13 T 7.99 4.57 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 1.23 0.00 0.00 14 P 0.00 4.33 0.00 2.21 2.11 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 15 S 8.38 4.62 0.00 4.16 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 16 S 8.48 4.76 0.00 3.89 3.90 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 17 T 7.94 3.85 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 1.16 0.00 0.00 18 R 8.01 4.06 0.00 1.94 2.09 0.00 3.19 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 19 Q 7.97 3.99 0.00 2.39 2.18 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 2.41 2.72 0.00 20 I 8.00 3.81 1.98 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.97 0.00 0.00 21 A 7.97 4.02 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 22 D 8.27 4.36 0.00 2.89 2.91 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 23 S 8.20 4.10 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.95 3.66 2.01 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 1.52 0.87 0.89 0.00 0.00 25 S 8.26 4.18 0.00 4.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.56 3.94 0.00 2.06 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 2.32 2.39 0.00 27 A 7.77 3.95 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 28 V 8.24 3.58 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 1.09 0.00 0.00 1.01 0.00 0.00 29 T 8.14 3.84 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 1.20 0.00 0.00 30 A 8.20 3.99 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 31 A 8.53 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 32 V 8.27 3.60 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 1.03 0.00 0.00 0.99 0.00 0.00 33 S 8.29 4.72 0.00 4.05 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 34 A 7.91 4.11 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 35 R 7.37 4.35 0.00 1.76 1.96 0.00 3.19 0.00 0.00 3.43 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 36 G 9.13 3.81 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 0.00 0.00 0.00 37 E 8.16 4.80 0.00 1.92 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 2.23 2.26 0.00 38 A 8.53 5.00 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 39 L 8.46 5.10 0.00 1.63 1.53 0.92 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 40 S 9.42 4.94 0.00 3.89 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 41 V 8.30 4.89 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 0.76 0.00 0.00 0.93 0.00 0.00 42 S 8.96 4.56 0.00 3.89 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 43 T 8.45 4.88 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 1.19 0.00 0.00 44 I 8.91 4.21 1.65 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 1.15 0.86 0.69 0.00 0.00 45 E 8.58 4.62 0.00 2.16 1.89 0.00 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0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *55 T 8.19 4.37 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 1.28 0.00 0.00 56 A 8.03 4.88 1.23 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 *58 T 7.92 4.39 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 59 T 7.86 4.71 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 1.23 0.00 0.00 60 R 8.45 4.52 0.00 1.92 2.02 0.00 3.19 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 61 V 7.61 3.77 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 0.94 0.00 0.00 62 H 8.61 4.80 0.00 3.09 3.20 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.21 4.19 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 64 T 8.37 3.83 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 65 K 7.95 3.90 0.00 1.82 1.99 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.50 7.81 66 L 8.15 4.03 0.00 1.78 1.62 1.00 0.64 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 67 E 8.51 3.95 0.00 2.22 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 2.30 2.39 0.00 68 E 8.22 4.03 0.00 2.22 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 2.33 2.59 0.00 69 I 7.79 3.72 2.07 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 0.68 1.00 0.00 0.00 70 T 8.20 4.08 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 71 S 7.87 4.09 0.00 4.05 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 72 A 8.21 4.12 1.40 0.00 0.00 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124 L 7.65 4.18 0.00 1.89 1.90 0.86 0.49 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 0.00 125 V 7.77 3.71 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 1.08 0.00 0.00 0.92 0.00 0.00 126 L 7.94 4.08 0.00 1.91 1.81 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 D 7.79 4.70 0.00 2.54 2.39 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 0.00 128 Y 7.84 4.62 0.00 3.11 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 0.00 129 A 7.85 4.64 1.16 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 0.00 130 L 8.45 4.07 0.00 2.07 1.77 1.10 0.63 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 0.00 131 R 8.40 3.89 0.00 1.95 1.90 0.00 3.29 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 132 P 0.00 4.25 0.00 2.24 2.10 0.00 3.83 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 2.01 2.08 0.00 133 L 7.62 4.01 0.00 1.81 1.93 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.26 4.18 0.00 1.80 1.72 0.98 1.17 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 0.00 135 S 8.13 4.17 0.00 4.05 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 0.00 136 Y 8.12 4.21 0.00 2.90 3.20 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 0.00 0.00 0.00 0.00 *138 R 7.91 4.33 0.00 1.79 1.92 0.00 3.07 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 139 A 8.49 4.67 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 0.00 140 V 8.26 4.14 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 0.94 0.00 0.00 141 V 8.10 4.38 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 0.82 0.00 0.00 0.95 0.00 0.00 142 V 8.50 3.80 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 0.71 0.00 0.00 1.01 0.00 0.00 143 P 0.00 4.23 0.00 2.03 2.15 0.00 3.83 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 2.04 2.14 0.00 144 T 7.76 4.17 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 0.00 145 G 8.21 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 0.00 146 V 8.71 4.55 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 0.98 0.00 0.00 0.90 0.00 0.00 147 F 9.28 5.05 0.00 3.15 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 0.00 148 A 8.63 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 0.00 149 A 8.44 4.58 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 0.00 150 T 8.10 2.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 151 E 7.20 4.01 0.00 1.70 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 2.21 2.26 0.00 152 D 7.68 4.75 0.00 2.76 2.71 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 0.00 153 F 7.72 4.43 0.00 2.94 2.92 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 0.00 154 G 10.28 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.70 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.18 0.00 2.19 2.10 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 157 E 8.26 4.05 0.00 2.15 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 2.46 2.46 0.00 158 G 8.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.93 4.02 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 0.00 160 E 8.34 3.97 0.00 2.20 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 2.36 2.49 0.00 161 F 8.36 4.21 0.00 3.23 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.19 4.07 0.00 2.76 2.78 0.00 0.00 6.74 7.04 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 0.00 163 K 7.64 3.85 0.00 2.00 1.99 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.47 7.81 164 R 8.19 3.80 0.00 1.94 1.90 0.00 3.24 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 165 I 7.58 3.47 1.71 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.33 0.76 0.00 0.00 166 A 7.84 3.91 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 0.00 167 R 7.79 3.78 0.00 1.90 2.02 0.00 3.09 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 168 A 8.14 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 0.00 169 A 8.21 4.00 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 0.00 170 G 8.16 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.96 0.00 2.23 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 2.33 2.41 0.00 172 L 8.00 3.87 0.00 1.86 1.80 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.40 3.97 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 0.00 174 S 8.29 4.07 0.00 4.00 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 0.00 175 L 7.49 4.01 0.00 1.88 1.74 0.92 1.35 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 0.00 176 I 8.31 3.83 2.04 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 1.77 1.69 0.91 0.00 0.00 177 V 8.04 3.86 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 0.70 0.00 0.00 1.02 0.00 0.00 178 E 7.71 4.15 0.00 2.13 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 0.00 2.31 2.34 0.00 179 E 7.29 4.19 0.00 2.10 1.88 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 2.35 2.43 0.00 180 S 8.34 4.28 0.00 3.77 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 * Residues marked with a * may have inaccurate shift predictions.