NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5344 8.3049 120.5975 55.7519 33.4715 174.3595 2 H 5.2588 9.3138 123.3739 53.5869 32.4031 171.7204 3 A 5.1046 9.8537 125.4944 50.5723 21.2754 175.5434 4 L 5.1223 9.1235 123.4417 53.8488 44.3309 176.3136 5 V 5.1254 8.4273 121.8976 60.1845 35.2329 173.8770 6 Q 4.7551 8.8338 129.1902 56.0519 29.7776 175.6300 7 L 4.8443 8.8723 124.6835 54.3326 43.9576 176.7982 8 R 4.6603 8.0358 117.3529 53.6756 33.0548 175.5225 9 G 3.9347 8.6257 111.0020 45.4316 0.0000 173.0652 10 E 4.0680 8.5650 116.1401 58.1328 30.2450 177.3172 11 V 3.7834 7.5721 119.4867 64.1135 31.8203 175.6057 12 N 4.4636 8.9351 123.0322 53.4831 36.3105 173.7992 13 M 4.2075 7.7174 118.9096 54.6657 33.1643 176.0101 14 H 4.0676 8.6934 122.4396 56.6953 30.7157 176.4464 15 T 3.8211 8.4654 121.3882 66.8772 68.5342 176.8306 16 D 4.3714 8.0555 120.5009 56.5149 39.3995 178.5360 17 I 3.6589 7.5891 120.8116 64.1966 37.0712 177.9813 18 Q 3.8713 7.9369 120.4651 59.0634 28.7970 177.9068 19 D 4.3453 8.4814 120.5932 57.3452 40.9325 178.7612 20 T 3.8256 7.9123 116.3247 66.7273 68.5174 176.5076 21 L 3.9843 7.7369 120.5686 57.9669 41.4953 179.6016 22 E 3.9026 7.8768 118.1771 59.5524 29.1962 179.2322 23 M 4.1448 8.0030 117.7193 57.5361 31.9231 177.3773 24 L 4.5848 7.4259 117.7065 54.1785 42.6073 176.0833 25 N 4.2529 7.9952 113.7593 53.9441 36.8524 173.5653 26 I 4.4498 7.6280 117.8033 59.7351 39.2677 174.9048 27 H 4.7806 8.9140 122.7416 55.7754 30.2572 172.7681 28 H 4.8823 7.4844 115.7778 53.5667 32.8738 172.6547 29 V 3.6660 8.0513 120.3759 64.3129 31.5129 175.9982 30 N 4.5341 9.3202 122.3653 53.6920 37.0153 173.4491 31 H 4.8415 7.8710 116.9305 55.2821 30.3774 173.7718 32 C 5.8187 8.7654 122.9490 57.3390 34.1877 172.3725 33 T 4.8831 8.3839 118.6619 60.2465 71.1254 172.4734 34 L 5.1252 8.5194 126.4106 53.2206 43.2278 175.8387 35 V 4.0313 8.5445 124.9684 58.7454 33.6391 174.1831 36 P 4.4650 0.0000 0.0000 62.8505 32.4055 176.5279 37 E 4.4421 8.5943 121.1003 55.1268 28.6684 176.2911 38 T 4.7870 7.8421 119.2514 60.5712 73.8052 174.0139 39 D 4.3572 8.6109 121.7361 57.7441 40.3315 178.9475 40 A 3.8850 7.9060 120.2977 55.6960 18.3918 179.1099 41 Y 4.2311 7.7793 114.2495 61.1920 37.8022 179.2246 42 R 3.9967 8.4015 119.5904 59.0614 30.2014 178.9467 43 G 3.7537 7.8574 105.0367 48.2495 0.0000 175.2924 44 M 4.0299 7.6329 120.3986 58.3367 31.8578 179.4103 45 V 3.4988 7.7222 110.6741 64.2339 31.9688 178.2802 46 A 4.1193 8.2304 120.9811 54.9698 17.9932 179.6017 47 K 3.9645 7.9946 117.3261 58.9701 32.5685 178.2641 48 V 4.1567 7.6324 116.2485 62.9581 31.4987 177.0142 49 N 4.3107 7.5822 116.1045 57.5227 38.9842 174.8024 50 D 4.5870 8.1830 114.8524 54.8618 41.5980 176.3642 51 F 4.8453 9.0489 117.4141 57.0026 41.5340 174.4981 52 V 5.1460 7.8308 112.1992 59.6608 36.4442 173.8427 53 A 5.2516 8.7255 121.9164 50.9048 22.3411 175.6354 54 F 5.8058 8.0609 116.7196 55.2335 42.3348 173.9730 55 G 3.8440 7.9585 104.5280 46.7008 0.0000 170.2751 56 E 5.2449 8.0407 120.8448 53.8968 31.1697 174.4857 57 P 4.9669 0.0000 0.0000 61.9584 32.9103 176.3309 58 S 4.4728 8.8963 114.7934 57.5560 65.4285 174.7378 59 Q 3.9604 8.7035 124.6369 59.8807 28.5837 178.9187 60 E 3.9377 8.2901 118.4904 60.0124 29.4462 179.1606 61 T 3.8446 7.7438 114.7494 66.9732 68.6911 176.2923 62 L 3.9003 8.2215 121.9528 58.1081 41.8350 179.1082 63 E 3.9644 8.0023 118.4152 59.5470 29.4719 179.0990 64 T 3.8270 8.1189 116.0452 66.6974 68.4763 176.8108 65 V 3.5565 7.9904 120.1967 65.9683 31.5444 177.9733 66 L 3.9068 7.9643 118.4623 57.8844 41.2614 179.4905 67 A 3.9951 8.0399 119.6344 54.9967 18.3538 178.9898 68 T 4.1661 7.8178 110.6458 63.7349 67.7019 175.4084 69 R 4.4987 8.1072 115.4867 55.0480 32.4994 175.1008 70 A 4.2172 7.7435 120.4765 52.0810 19.1754 176.9631 71 E 4.4876 8.2105 118.0660 53.9656 34.6919 173.5249 72 P 4.7494 0.0000 0.0000 61.8766 32.4050 176.6270 73 L 4.2070 8.2284 119.1903 57.4625 41.7242 177.6734 74 E 4.5581 7.9222 115.9436 56.0077 33.3407 175.4391 75 G 3.9357 8.8470 108.5823 45.6300 0.0000 172.7272 76 D 4.7128 8.2278 115.2554 53.4771 41.7295 176.7462 77 A 4.2449 8.1132 127.5945 53.0005 19.4452 178.1290 *78 D 4.4784 8.1772 116.5963 52.8135 41.6489 176.3271 79 V 3.5539 7.6509 120.9346 61.3046 30.8278 174.0476 80 D 5.0718 8.2089 126.8495 50.7792 42.9297 175.8528 81 D 4.5150 8.9654 117.5684 58.0521 40.7584 178.6453 82 E 4.0068 8.2950 119.0044 58.8913 29.5464 178.4112 83 W 3.9105 9.4347 128.8148 60.4681 30.8823 177.6607 84 V 4.0709 9.0516 118.9945 66.6250 30.7274 177.7683 85 A 4.6209 8.3539 120.4367 54.2280 18.2864 178.4824 86 E 4.1945 7.5774 113.7783 57.0512 30.0070 176.5215 87 H 4.5474 7.5628 113.7968 54.9674 31.1919 173.3180 88 T 4.6932 8.1780 115.9892 61.7471 70.6959 174.3929 89 D 4.7154 8.8403 119.2744 55.0210 40.5503 175.6605 90 Y 4.7956 7.8900 118.4527 56.4658 41.1199 175.1049 91 D 4.7977 8.8605 117.9959 55.7074 43.2371 176.3133 92 D 4.8086 7.7397 116.9199 50.8025 43.6430 175.9296 93 I 3.7056 8.9816 121.0556 64.8774 36.9699 178.5982 94 S 4.3568 8.4009 115.3299 61.7887 62.6856 176.8840 95 G 3.8512 8.3251 107.5143 48.0254 0.0000 174.7887 96 L 2.9506 7.8228 122.5085 57.3901 42.1239 178.5967 97 A 3.9231 8.5791 120.6923 55.4367 18.2524 179.3892 98 F 4.0395 8.6077 118.8547 61.4921 39.4255 177.2615 99 A 4.2498 7.8863 121.6352 54.3761 18.1356 179.6457 100 L 3.8691 7.8523 117.5510 57.9701 41.5239 179.7120 101 L 3.9458 7.3780 117.4115 57.6191 42.0477 179.0687 102 S 4.1155 7.8813 111.9140 57.6526 63.7698 173.4799 103 E 4.0308 7.6246 121.0112 57.8386 27.0361 174.3488 104 E 4.3569 8.8273 119.1701 57.3642 31.1630 174.6464 105 T 5.4354 7.6993 110.1974 60.5987 70.9165 171.9278 106 T 4.7208 8.1254 111.6631 59.2415 72.0143 174.5391 107 L 3.9043 8.7672 123.8572 58.3257 42.1385 179.6391 108 R 4.1525 8.1817 117.2193 58.8061 30.3092 178.2086 109 E 4.0511 8.2782 117.2419 59.2782 29.5439 178.1619 110 Q 4.2949 8.2636 116.3229 55.6723 28.4155 176.0058 111 G 4.0576 8.2384 105.3462 46.4412 0.0000 173.7639 112 L 4.7716 8.1817 119.1964 52.0494 44.2832 176.1371 113 S 4.2824 8.8614 117.0348 57.6700 62.7367 173.4179 114 P 4.3069 0.0000 0.0000 65.4768 31.3081 176.2406 115 T 4.7969 7.1894 111.4741 61.7989 71.3102 174.9619 116 L 4.4356 8.6368 123.8057 52.9624 43.9607 176.1882 117 R 4.4504 8.3766 123.5000 55.9019 28.6398 176.6650 118 L 4.3580 8.2111 123.7599 54.6403 43.1861 175.2929 119 H 4.9701 8.5934 119.2932 53.5720 32.5406 172.0369 120 P 4.2632 0.0000 0.0000 62.0623 31.8260 174.3813 121 P 4.4032 0.0000 0.0000 62.7855 31.0059 176.0069 122 R 3.9989 8.5031 124.0276 57.7738 30.1541 177.6416 123 G 3.7918 8.9000 111.2036 44.5459 0.0000 173.5513 124 G 3.9804 8.3244 107.5318 45.3290 0.0000 173.0385 125 H 4.8763 8.1628 114.9746 54.1374 31.0098 173.8851 126 D 4.6710 9.5371 117.5513 54.7725 41.2511 175.7902 127 G 4.4324 8.1897 108.5153 45.9460 0.0000 175.0837 128 V 4.1194 8.1305 113.7895 61.0633 32.1311 176.6336 129 K 4.4733 8.0232 116.3800 56.3310 33.5222 175.7094 130 H 4.8600 7.4765 115.6675 53.4717 32.9813 171.1194 131 P 4.9291 0.0000 0.0000 61.5750 32.8308 177.0375 132 V 3.6919 8.0410 118.3581 65.4447 31.2742 178.6233 133 K 3.8424 7.9959 116.8623 59.0994 31.9587 177.5351 134 E 4.2976 8.0494 115.7744 56.0801 29.4919 176.8211 135 G 3.9006 8.4005 108.2897 44.8839 0.0000 174.4921 136 G 4.6492 8.2458 107.8028 44.6332 0.0000 174.0827 137 Q 4.7664 8.2972 121.1545 55.5961 30.4599 176.5989 138 L 4.5059 7.8818 118.0521 55.7859 43.8999 177.8829 139 G 4.0481 8.6882 108.3299 44.0934 0.0000 172.4601 140 K 2.8175 7.9718 119.9629 56.3375 32.7448 177.2352 141 H 4.9013 8.4141 122.7439 53.4909 32.6695 172.9772 142 D 4.4579 8.4414 119.5518 54.5805 42.2558 177.3802 143 T 4.3222 8.5320 120.5385 66.2459 68.4598 176.6349 144 E 4.0436 8.1920 120.9581 59.0591 29.7494 178.9249 145 G 3.6621 7.9148 105.3234 48.8277 0.0000 175.6177 146 I 3.7273 8.3937 122.9023 64.0179 37.0407 178.3802 147 D 4.3579 8.1656 119.9496 57.1694 40.4908 178.1991 148 D 4.3378 8.1372 119.5734 57.4141 40.8928 178.6447 149 L 4.0006 7.7983 120.2608 58.3425 41.9312 178.9400 150 L 3.9878 7.7594 117.4091 58.0138 41.3672 179.2752 151 E 4.0733 8.8600 118.4457 59.0795 29.2736 178.9731 152 A 4.2367 8.0033 120.3101 53.9057 18.6128 178.3458 153 M 5.0571 7.5387 117.9842 54.3111 32.5060 176.2533 154 R 4.0388 7.3160 124.8840 56.9785 30.1944 175.8832 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 4.53 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 2 H 9.31 5.26 0.00 3.11 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.85 5.10 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 4 L 9.12 5.12 0.00 1.55 1.60 0.88 0.54 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 5 V 8.43 5.13 2.10 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 1.31 0.00 0.00 0.94 0.00 0.00 6 Q 8.83 4.76 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.47 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 7 L 8.87 4.84 0.00 1.59 1.70 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.04 4.66 0.00 1.99 1.96 0.00 3.15 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 9 G 8.63 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.56 4.07 0.00 2.29 2.18 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 2.33 2.28 0.00 11 V 7.57 3.78 2.10 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 0.82 0.00 0.00 0.93 0.00 0.00 12 N 8.94 4.46 0.00 2.98 3.02 0.00 0.00 7.05 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.72 4.21 0.00 1.96 1.70 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.15 0.00 14 H 8.69 4.07 0.00 3.15 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.47 3.82 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 1.19 0.00 0.00 16 D 8.06 4.37 0.00 2.83 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 17 I 7.59 3.66 1.80 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.99 0.64 0.00 0.00 18 Q 7.94 3.87 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 19 D 8.48 4.35 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 20 T 7.91 3.83 4.41 0.00 0.00 0.00 0.00 0.00 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 21 L 7.74 3.98 0.00 1.82 1.66 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.88 3.90 0.00 2.10 1.92 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 2.15 2.48 0.00 23 M 8.00 4.14 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 24 L 7.43 4.58 0.00 1.80 1.66 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.00 4.25 0.00 2.83 2.91 0.00 0.00 6.62 7.38 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 26 I 7.63 4.45 1.90 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 1.28 0.88 0.95 0.00 0.00 27 H 8.91 4.78 0.00 3.00 3.12 0.00 5.90 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.48 4.88 0.00 2.51 2.96 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.05 3.67 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 0.96 0.00 0.00 30 N 9.32 4.53 0.00 2.99 3.02 0.00 0.00 7.00 7.71 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 31 H 7.87 4.84 0.00 3.27 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.77 5.82 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 33 T 8.38 4.88 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 1.21 0.00 0.00 34 L 8.52 5.13 0.00 1.48 1.53 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.54 4.03 1.79 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 0.74 0.00 0.00 0.11 0.00 0.00 36 P 0.00 4.46 0.00 1.98 2.02 0.00 2.54 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 37 E 8.59 4.44 0.00 1.91 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 2.04 2.16 0.00 38 T 7.84 4.79 4.40 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 1.23 0.00 0.00 39 D 8.61 4.36 0.00 2.66 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 40 A 7.91 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.78 4.23 0.00 3.05 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 42 R 8.40 4.00 0.00 2.18 1.99 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 43 G 7.86 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 44 M 7.63 4.03 0.00 2.13 2.36 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 45 V 7.72 3.50 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 0.46 0.00 0.00 0.90 0.00 0.00 46 A 8.23 4.12 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 47 K 7.99 3.96 0.00 1.88 2.04 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 48 V 7.63 4.16 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 1.06 0.00 0.00 0.98 0.00 0.00 49 N 7.58 4.31 0.00 2.98 2.97 0.00 0.00 7.11 8.14 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 50 D 8.18 4.59 0.00 2.50 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 0.00 0.00 0.00 0.00 51 F 9.05 4.85 0.00 2.95 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 52 V 7.83 5.15 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 0.93 0.00 0.00 1.15 0.00 0.00 53 A 8.73 5.25 1.20 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 54 F 8.06 5.81 0.00 3.15 3.08 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 55 G 7.96 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 56 E 8.04 5.24 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 65 V 7.99 3.56 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.92 0.00 0.00 66 L 7.96 3.91 0.00 1.94 1.66 0.88 0.75 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 67 A 8.04 4.00 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 68 T 7.82 4.17 4.28 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 1.39 0.00 0.00 69 R 8.11 4.50 0.00 1.71 1.81 0.00 3.59 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 70 A 7.74 4.22 1.17 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 0.00 0.00 0.00 71 E 8.21 4.49 0.00 1.76 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 72 P 0.00 4.75 0.00 2.21 2.24 0.00 3.54 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.57 0.00 73 L 8.23 4.21 0.00 1.70 1.77 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.92 4.56 0.00 1.93 1.81 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 2.23 2.33 0.00 75 G 8.85 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 76 D 8.23 4.71 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.11 4.24 1.48 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 0.00 0.00 *78 D 8.18 4.48 0.00 2.46 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 79 V 7.65 3.55 1.72 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 0.63 0.00 0.00 -0.19 0.00 0.00 80 D 8.21 5.07 0.00 2.94 2.79 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 81 D 8.97 4.51 0.00 2.76 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 82 E 8.30 4.01 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 83 W 9.43 3.91 0.00 3.68 3.48 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 84 V 9.05 4.07 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 0.97 0.00 0.00 1.15 0.00 0.00 85 A 8.35 4.62 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 86 E 7.58 4.19 0.00 1.58 1.64 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 2.17 2.38 0.00 87 H 7.56 4.55 0.00 1.57 2.65 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.18 4.69 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 89 D 8.84 4.72 0.00 2.50 2.32 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 98 F 8.61 4.04 0.00 3.24 3.34 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 99 A 7.89 4.25 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 0.00 100 L 7.85 3.87 0.00 1.76 1.65 0.85 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.38 3.95 0.00 1.61 1.62 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.88 4.12 0.00 3.77 3.48 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 0.00 103 E 7.62 4.03 0.00 2.09 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 2.18 2.42 0.00 104 E 8.83 4.36 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 105 T 7.70 5.44 4.40 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 1.21 0.00 0.00 106 T 8.13 4.72 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 1.22 0.00 0.00 107 L 8.77 3.90 0.00 1.71 1.78 0.93 0.75 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 0.00 108 R 8.18 4.15 0.00 1.86 1.96 0.00 3.25 0.00 0.00 3.32 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 109 E 8.28 4.05 0.00 2.39 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 0.00 2.37 2.33 0.00 110 Q 8.26 4.29 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 111 G 8.24 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 0.00 112 L 8.18 4.77 0.00 1.72 1.55 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.86 4.28 0.00 3.95 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 0.00 114 P 0.00 4.31 0.00 2.09 2.14 0.00 3.70 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 2.06 2.15 0.00 115 T 7.19 4.80 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 1.23 0.00 0.00 116 L 8.64 4.44 0.00 1.49 1.53 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.38 4.45 0.00 1.62 1.84 0.00 3.21 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.50 0.00 118 L 8.21 4.36 0.00 1.71 1.84 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 H 8.59 4.97 0.00 3.28 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.26 0.00 1.98 1.94 0.00 3.09 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 121 P 0.00 4.40 0.00 2.12 2.24 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 122 R 8.50 4.00 0.00 1.82 1.93 0.00 3.16 0.00 0.00 3.20 7.32 0.00 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0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.93 0.00 2.18 2.15 0.00 3.78 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 2.04 1.94 0.00 132 V 8.04 3.69 1.94 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 1.10 0.00 0.00 0.65 0.00 0.00 133 K 8.00 3.84 0.00 1.75 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 134 E 8.05 4.30 0.00 2.08 1.92 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 2.24 2.28 0.00 135 G 8.40 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 0.00 0.00 0.00 136 G 8.25 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.30 4.77 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 138 L 7.88 4.51 0.00 1.60 1.53 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.69 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.97 2.82 0.00 1.46 1.47 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 0.93 7.81 141 H 8.41 4.90 0.00 2.90 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.44 4.46 0.00 2.68 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 0.00 143 T 8.53 4.32 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 1.36 0.00 0.00 144 E 8.19 4.04 0.00 2.03 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 0.00 2.53 2.37 0.00 145 G 7.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.39 3.73 2.03 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 1.43 0.89 0.95 0.00 0.00 147 D 8.17 4.36 0.00 2.88 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 0.00 148 D 8.14 4.34 0.00 2.91 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.80 4.00 0.00 1.77 1.78 0.95 0.65 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 0.00 150 L 7.76 3.99 0.00 1.66 1.71 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.86 4.07 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 152 A 8.00 4.24 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.54 5.06 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 154 R 7.32 4.04 0.00 1.99 1.83 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.