NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 S 4.3983 8.3193 115.2895 57.5553 64.5000 173.1751 -5 D 4.6459 7.7292 119.7743 52.8135 41.2319 173.9496 -4 K 4.9179 9.1748 121.2560 54.8265 35.0539 177.3187 -3 I 3.8522 8.6868 125.1085 61.5445 38.2157 174.8245 -2 H 5.4082 8.3895 123.2319 52.3231 31.5461 172.5398 -1 H 5.0356 9.4772 130.6245 55.5589 28.7887 175.8649 *49 N 4.7836 9.2199 126.4079 53.6255 39.4421 175.4130 50 T 4.8706 5.7900 107.5015 61.5044 73.0811 173.7978 51 A 4.6124 8.5537 125.8185 50.2678 23.3350 175.3793 52 S 3.9010 8.3188 113.9611 58.1592 62.6979 174.6727 53 W 4.2128 8.8612 124.9084 58.7128 29.7525 175.6129 54 F 5.6426 8.0220 117.5667 55.2159 41.6147 175.4768 55 T 4.3274 8.8274 111.2777 61.9564 69.3661 173.7371 56 A 4.3716 8.3623 123.8633 51.3339 20.3401 176.6938 57 L 4.6166 8.7605 120.0185 53.9014 43.2958 176.2778 58 T 4.6541 8.6003 121.3011 62.9020 69.7165 174.5339 59 Q 3.0830 8.9583 128.8354 55.1596 28.5344 175.1023 60 H 4.5017 8.6730 124.8393 56.5585 29.7524 175.7368 61 G 4.3349 7.2712 108.1297 44.2954 0.0000 172.2469 62 K 4.2278 8.5704 117.3516 57.7848 32.8057 177.1418 63 E 4.1773 7.9528 118.8045 55.9864 30.0065 176.5441 64 E 4.6855 8.4857 122.6996 55.3313 30.6732 176.1452 65 L 2.8096 7.1567 122.9375 54.5601 42.3168 176.1964 66 R 4.1817 6.6072 119.8213 55.5812 31.6715 173.6751 67 F 4.7490 8.1538 115.9489 54.7136 43.1055 173.3674 68 P 4.4060 0.0000 0.0000 62.3924 31.8191 176.3087 69 R 4.0979 8.3663 120.2616 58.1454 30.3099 177.3047 70 G 4.2834 8.9849 110.9310 44.9137 0.0000 173.0517 71 Q 4.4586 7.5656 117.5702 54.5768 31.0614 175.7733 72 G 2.4517 8.2612 106.6159 44.7475 0.0000 174.3058 73 V 3.1979 7.0954 119.8668 61.3733 32.1244 173.8253 74 P 4.1911 0.0000 0.0000 62.3078 31.8831 176.1242 75 I 3.7926 8.1430 124.5127 61.5294 37.9246 175.8556 76 N 4.9342 8.6717 125.7505 52.4306 40.4358 174.6772 77 T 3.9289 8.7441 117.3811 64.2919 68.9616 174.9822 78 N 4.6298 8.2567 118.0041 53.1801 38.7045 174.4605 79 S 4.6994 7.8692 112.9893 56.2701 65.8831 173.0619 80 G 4.1571 8.7707 109.9351 42.7049 0.0000 172.6680 81 P 4.2407 0.0000 0.0000 65.6352 31.5242 178.9717 82 D 4.3875 8.1260 117.4204 57.0869 40.8424 177.4292 83 D 4.6480 7.9911 116.9123 55.2836 41.7453 177.2644 84 Q 4.5287 7.7199 121.1544 53.3385 27.5343 174.3039 85 I 4.8824 6.8859 117.6105 59.6421 41.9400 174.0350 86 G 4.4442 8.5033 113.7489 46.2480 0.0000 170.9418 87 Y 5.1685 6.8659 116.9907 55.4858 41.9052 174.0130 88 Y 5.2266 9.2808 118.8927 56.8281 40.5957 174.5702 89 R 5.2944 9.3918 123.8154 54.4632 33.0904 174.5690 90 R 3.7865 8.5259 127.5419 55.8638 30.8053 175.4038 91 A 4.7402 9.0794 127.4532 50.4257 22.4919 174.7667 92 T 4.7726 8.5461 118.2814 61.8137 71.4255 173.8069 93 R 4.7479 8.6192 124.6333 54.6711 33.2444 175.2818 94 R 5.2675 8.2234 119.1610 54.8207 33.8967 175.2569 95 V 4.4826 8.3358 119.3003 60.6794 35.0848 172.9221 96 R 4.5082 8.6366 122.5583 56.1407 30.9392 177.0731 97 G 3.9388 9.1894 113.6562 44.1637 0.0000 174.6444 98 G 3.6109 8.5864 107.7965 48.4454 0.0000 174.3335 99 D 4.4300 8.0293 116.7379 53.6170 39.7121 177.2421 100 G 3.9366 8.2830 108.7658 45.4538 0.0000 173.5685 101 K 4.5054 8.0219 119.7099 54.9781 34.2006 175.7890 102 M 4.4543 8.6114 124.1377 55.6925 32.8875 175.4543 103 K 4.7035 9.1253 125.6111 54.6703 35.6272 174.5469 104 E 5.0437 8.5268 123.2150 54.5455 31.2828 175.7812 105 L 4.4799 8.7060 127.5306 53.7798 43.1919 176.8419 106 S 4.2822 8.4819 116.3002 58.2093 63.4346 173.1494 107 P 4.5533 0.0000 0.0000 62.9291 32.7448 175.3026 108 R 5.1120 8.9621 121.4664 54.2576 33.6957 174.4490 109 W 5.3329 9.4499 123.9623 55.3199 31.5559 174.4726 110 Y 5.0934 9.3029 122.6205 56.1486 40.4232 174.6159 111 F 4.3763 8.7354 125.8192 57.3042 40.7302 174.2918 112 Y 4.2659 7.0031 122.7740 55.6327 41.7271 174.8393 113 Y 4.3994 8.4102 120.6019 57.4937 39.6479 175.4850 114 L 4.4332 8.9506 124.0643 57.4255 42.5459 178.1832 115 G 4.5098 9.5785 113.0234 45.6667 0.0000 172.5400 116 T 4.6887 7.8045 108.1510 60.4317 72.2256 174.9333 117 G 3.4570 8.4938 109.5088 44.0356 0.0000 171.9828 118 P 4.1741 0.0000 0.0000 64.8738 31.5896 176.8885 119 E 4.5334 8.1487 117.9342 55.2281 30.3521 177.9736 120 A 4.2196 7.9736 124.9390 55.3865 18.5453 180.3715 121 S 4.5229 7.8897 107.4018 59.0301 63.8422 174.3433 122 L 4.2491 7.6542 122.9654 53.8440 42.1850 175.1821 123 P 4.4340 0.0000 0.0000 61.8534 32.3311 174.9884 124 Y 2.3900 8.0852 120.5714 59.1148 38.7082 176.9068 125 G 3.1982 5.3800 114.6937 44.5725 0.0000 173.3786 126 A 4.0541 6.7133 122.8440 51.9563 18.9151 176.9356 127 N 4.7453 8.6350 119.8115 52.5930 39.4988 174.9374 128 K 4.5397 8.4121 123.2284 54.4556 35.4435 174.4960 129 E 4.1235 8.7823 126.8498 58.0428 29.9469 177.0220 130 G 3.9071 9.2157 113.0780 45.4016 0.0000 172.0466 131 I 5.1306 7.7291 119.9979 59.3840 39.8125 175.5765 132 V 4.5446 8.8708 119.2143 59.4140 35.3423 174.8169 133 W 5.3623 8.9489 124.6361 56.0645 30.6222 176.1601 134 V 4.9825 9.5800 115.6103 60.1530 36.2594 174.4169 135 A 5.0924 8.4568 123.6362 51.2320 22.7531 175.7962 136 T 4.4992 8.9919 119.9489 62.6640 69.8333 174.1299 137 E 3.9257 8.8678 124.9492 58.4174 29.8173 178.0415 138 G 3.8850 9.0555 114.6753 44.7805 0.0000 173.4372 139 A 4.4968 7.6967 121.9459 51.4968 19.7270 176.3241 140 L 4.5074 8.4505 123.7693 53.8401 42.9522 177.5010 141 N 4.8533 8.9025 128.1354 52.6921 36.2885 173.8915 142 T 4.7819 7.5412 110.1884 58.5017 72.5413 172.9919 143 P 4.6191 0.0000 0.0000 63.1762 32.6822 177.2664 144 K 4.4137 8.8027 122.5350 55.1611 30.8791 177.4566 145 D 4.4441 8.0308 120.2974 57.7334 41.4369 178.5994 146 H 4.4482 8.2325 112.6088 57.3738 29.1789 176.0634 147 I 3.9206 7.5303 120.0785 62.0900 38.5625 176.8767 148 G 3.9086 8.1010 108.9096 46.2838 0.0000 171.8509 149 T 4.5914 8.3431 110.9688 59.4938 72.3857 173.9116 150 R 2.6163 7.4616 122.2682 55.1996 31.5357 174.6862 151 N 5.0742 7.9957 124.4307 50.8095 39.4431 173.7575 152 P 4.4751 0.0000 0.0000 64.6420 31.6771 177.8828 153 N 4.5010 8.3944 115.0895 55.2298 38.5129 175.4347 154 N 4.9866 8.1903 113.5685 53.0905 40.7864 174.4958 155 N 4.9884 7.6903 114.6015 51.3551 42.7330 173.9077 156 A 4.2010 8.5113 125.0588 51.5294 19.3620 177.0026 157 A 4.4163 8.2774 121.7872 52.3994 19.4345 177.5538 158 T 4.3022 8.9240 118.4450 62.7609 70.1201 174.6659 159 V 3.9727 8.4635 126.3020 62.8988 32.2765 175.0672 160 L 4.2595 8.9492 131.4393 55.1799 42.4298 175.7277 161 Q 4.7261 8.6665 127.0496 54.2624 32.4902 173.7761 162 L 4.9700 8.3154 124.2055 51.9044 44.8928 174.6463 163 P 4.2291 0.0000 0.0000 62.6078 31.9271 175.8921 164 Q 4.1165 8.4236 122.8074 57.8670 29.3026 176.6937 165 G 3.9847 8.8973 113.0954 45.2925 0.0000 173.4958 166 T 4.1651 7.3988 117.0883 63.5042 68.8897 174.5741 167 T 4.1254 8.9130 124.0799 63.4117 69.1384 174.0789 168 L 4.4552 7.9070 124.1337 51.8960 45.3227 174.7308 169 P 4.3454 0.0000 0.0000 61.6107 32.0775 175.8316 170 K 3.7263 8.3208 121.3678 58.3680 32.4201 177.1830 171 G 3.8077 8.8743 113.0463 45.1121 0.0000 172.4988 172 F 4.8764 6.9940 117.5148 55.5805 41.6057 174.6384 173 Y 4.7162 8.4238 120.1546 56.5037 41.6852 175.1644 174 A 4.4348 8.7925 126.1983 52.3144 19.3854 175.9367 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 -6 S 8.32 4.40 0.00 3.84 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 -5 D 7.73 4.65 0.00 2.83 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 -4 K 9.17 4.92 0.00 1.61 1.59 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.43 7.81 -3 I 8.69 3.85 1.66 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.42 0.60 0.00 0.00 -2 H 8.39 5.41 0.00 2.96 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 9.48 5.04 0.00 3.16 2.76 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 N 9.22 4.78 0.00 2.82 2.71 0.00 0.00 5.71 7.22 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 50 T 5.79 4.87 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 1.17 0.00 0.00 51 A 8.55 4.61 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.32 3.90 0.00 3.22 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 53 W 8.86 4.21 0.00 2.96 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 54 F 8.02 5.64 0.00 3.01 3.01 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 55 T 8.83 4.33 4.33 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 1.31 0.00 0.00 56 A 8.36 4.37 0.39 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 57 L 8.76 4.62 0.00 1.77 1.86 0.77 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.60 4.65 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 1.01 0.00 0.00 59 Q 8.96 3.08 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.10 0.00 60 H 8.67 4.50 0.00 3.29 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.27 4.33 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 0.00 62 K 8.57 4.23 0.00 1.76 1.89 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.40 7.81 63 E 7.95 4.18 0.00 2.18 1.90 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 2.31 2.32 0.00 64 E 8.49 4.69 0.00 1.94 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 2.50 2.38 0.00 65 L 7.16 2.81 0.00 0.27 0.13 -0.85 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 66 R 6.61 4.18 0.00 1.75 1.62 0.00 2.93 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.32 0.00 67 F 8.15 4.75 0.00 2.96 2.85 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 68 P 0.00 4.41 0.00 2.20 1.98 0.00 3.75 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 2.13 2.11 0.00 69 R 8.37 4.10 0.00 1.74 1.58 0.00 3.29 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 70 G 8.98 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 0.00 0.00 0.00 0.00 71 Q 7.57 4.46 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 72 G 8.26 2.45 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 0.00 73 V 7.10 3.20 1.89 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 0.53 0.00 0.00 0.92 0.00 0.00 74 P 0.00 4.19 0.00 0.49 0.95 0.00 2.20 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.33 0.00 75 I 8.14 3.79 1.83 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 1.05 0.46 0.90 0.00 0.00 76 N 8.67 4.93 0.00 3.17 2.84 0.00 0.00 6.96 7.22 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 77 T 8.74 3.93 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 1.21 0.00 0.00 78 N 8.26 4.63 0.00 2.79 2.78 0.00 0.00 6.79 7.67 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 79 S 7.87 4.70 0.00 4.05 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 80 G 8.77 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 81 P 0.00 4.24 0.00 2.18 2.12 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 2.11 0.00 82 D 8.13 4.39 0.00 2.70 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 83 D 7.99 4.65 0.00 2.82 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 84 Q 7.72 4.53 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.29 0.00 85 I 6.89 4.88 1.87 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 1.08 0.00 0.00 86 G 8.50 4.44 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 0.00 87 Y 6.87 5.17 0.00 2.30 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 88 Y 9.28 5.23 0.00 3.12 3.37 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 89 R 9.39 5.29 0.00 2.20 2.09 0.00 3.13 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 90 R 8.53 3.79 0.00 0.67 1.15 0.00 3.02 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 91 A 9.08 4.74 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 92 T 8.55 4.77 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 1.22 0.00 0.00 93 R 8.62 4.75 0.00 1.77 1.83 0.00 3.09 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 94 R 8.22 5.27 0.00 1.63 1.78 0.00 3.24 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 95 V 8.34 4.48 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 0.75 0.00 0.00 0.93 0.00 0.00 96 R 8.64 4.51 0.00 1.72 1.90 0.00 3.20 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 97 G 9.19 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 98 G 8.59 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.43 0.00 2.78 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 0.00 100 G 8.28 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 0.00 101 K 8.02 4.51 0.00 1.87 1.72 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.37 7.81 102 M 8.61 4.45 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 103 K 9.13 4.70 0.00 1.77 1.67 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.50 7.81 104 E 8.53 5.04 0.00 1.94 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 2.18 2.29 0.00 105 L 8.71 4.48 0.00 1.56 1.60 0.93 0.98 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 0.00 106 S 8.48 4.28 0.00 3.70 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.55 0.00 2.13 1.83 0.00 3.71 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 2.16 2.11 0.00 108 R 8.96 5.11 0.00 1.76 1.51 0.00 3.12 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 109 W 9.45 5.33 0.00 3.37 3.31 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 0.00 110 Y 9.30 5.09 0.00 2.99 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 0.00 111 F 8.74 4.38 0.00 2.02 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.00 4.27 0.00 1.43 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 0.00 113 Y 8.41 4.40 0.00 3.06 3.02 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 0.00 114 L 8.95 4.43 0.00 2.17 1.83 1.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 115 G 9.58 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 0.00 116 T 7.80 4.69 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 1.52 0.00 0.00 117 G 8.49 3.46 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 0.00 118 P 0.00 4.17 0.00 1.87 1.99 0.00 2.46 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 119 E 8.15 4.53 0.00 1.16 1.49 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 1.97 1.96 0.00 120 A 7.97 4.22 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 0.00 121 S 7.89 4.52 0.00 4.00 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 0.00 122 L 7.65 4.25 0.00 1.96 1.91 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.43 0.00 2.11 2.13 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 124 Y 8.09 2.39 0.00 2.72 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 0.00 125 G 5.38 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 0.00 0.00 0.00 126 A 6.71 4.05 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 0.00 127 N 8.63 4.75 0.00 2.76 2.82 0.00 0.00 6.70 7.61 0.00 0.00 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 K 8.41 4.54 0.00 1.75 1.58 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.42 7.81 129 E 8.78 4.12 0.00 1.98 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 2.30 2.35 0.00 130 G 9.22 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 0.00 131 I 7.73 5.13 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.22 0.00 0.00 132 V 8.87 4.54 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 0.80 0.00 0.00 0.91 0.00 0.00 133 W 8.95 5.36 0.00 3.04 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 0.00 134 V 9.58 4.98 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 0.98 0.00 0.00 1.27 0.00 0.00 135 A 8.46 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.99 4.50 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 1.20 0.00 0.00 137 E 8.87 3.93 0.00 2.08 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 2.41 2.41 0.00 138 G 9.06 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 0.00 139 A 7.70 4.50 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 0.00 140 L 8.45 4.51 0.00 1.61 1.74 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.90 4.85 0.00 2.61 2.91 0.00 0.00 7.02 7.70 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 0.00 142 T 7.54 4.78 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 1.22 0.00 0.00 143 P 0.00 4.62 0.00 2.45 2.17 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 144 K 8.80 4.41 0.00 1.86 1.61 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.74 1.67 7.81 145 D 8.03 4.44 0.00 2.73 2.80 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 0.00 0.00 0.00 0.00 146 H 8.23 4.45 0.00 3.25 3.41 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.53 3.92 1.68 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.10 0.61 0.00 0.00 148 G 8.10 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 0.00 149 T 8.34 4.59 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 1.35 0.00 0.00 150 R 7.46 2.62 0.00 0.67 1.26 0.00 3.22 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.00 151 N 8.00 5.07 0.00 2.72 2.62 0.00 0.00 7.69 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 0.00 152 P 0.00 4.48 0.00 2.03 2.05 0.00 3.81 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 153 N 8.39 4.50 0.00 2.83 2.87 0.00 0.00 6.79 7.56 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 0.00 154 N 8.19 4.99 0.00 2.66 2.85 0.00 0.00 6.76 8.22 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 0.00 155 N 7.69 4.99 0.00 2.72 2.83 0.00 0.00 7.06 7.54 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 0.00 156 A 8.51 4.20 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 0.00 157 A 8.28 4.42 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 T 8.92 4.30 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 1.39 0.00 0.00 159 V 8.46 3.97 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 0.80 0.00 0.00 0.99 0.00 0.00 160 L 8.95 4.26 0.00 1.76 1.77 0.90 1.21 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 0.00 161 Q 8.67 4.73 0.00 2.15 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 162 L 8.32 4.97 0.00 1.52 1.46 0.98 0.82 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 0.00 163 P 0.00 4.23 0.00 2.12 1.94 0.00 3.48 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 164 Q 8.42 4.12 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 165 G 8.90 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 7.40 4.17 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 1.32 0.00 0.00 167 T 8.91 4.13 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 1.14 0.00 0.00 168 L 7.91 4.46 0.00 1.46 1.34 0.93 0.82 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 0.00 169 P 0.00 4.35 0.00 2.21 1.94 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 170 K 8.32 3.73 0.00 1.77 1.69 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.37 7.81 171 G 8.87 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 0.00 172 F 6.99 4.88 0.00 2.84 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 0.00 173 Y 8.42 4.72 0.00 2.97 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 0.00 174 A 8.79 4.43 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.