NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1215 7.8827 121.4494 61.3345 39.5959 177.0025 3 I 3.3881 7.6045 119.6239 63.8507 37.3016 176.2439 4 K 3.8887 8.6481 119.1777 59.5634 32.7191 177.9376 5 D 4.4907 7.9976 118.4422 57.5830 40.3236 178.5734 6 I 3.6559 7.9474 120.1952 64.8026 37.0325 178.5107 7 L 3.7315 7.9602 117.8474 57.5021 41.3613 179.1533 8 R 3.9820 8.2012 118.8291 58.9075 30.1534 176.8280 9 E 4.5548 7.6908 115.2401 56.2604 31.2704 176.1349 10 N 4.9592 6.9612 125.5538 52.4155 37.5774 176.0941 *25 P 4.1584 0.0000 0.0000 62.3439 32.2541 175.6499 26 K 4.6758 8.5468 121.0098 56.4761 33.3821 175.5033 27 L 5.2067 7.7574 123.0427 53.3924 44.9284 174.4610 28 C 5.2974 8.9543 124.9662 57.6609 34.9124 172.3710 29 I 4.9220 8.9470 126.9851 59.5696 39.9033 174.4456 30 I 4.8242 8.6980 127.6483 60.0855 39.8378 174.7820 31 T 4.7398 8.7201 121.4860 61.1545 70.9630 171.9304 32 C 5.1097 8.6238 121.4811 58.7070 32.9655 173.9681 33 M 4.3751 8.3994 118.3355 55.4488 31.6737 176.2083 34 D 4.3564 8.1750 120.4550 54.9187 41.6106 177.4002 35 S 4.2322 8.6957 120.3929 60.9849 63.2559 175.9805 36 R 4.1199 8.2513 119.0281 57.6755 30.2065 177.2576 37 L 4.2091 7.6538 117.7214 55.8343 42.1368 176.8826 38 I 3.9975 7.1323 120.7366 62.4410 37.6068 175.2864 39 D 5.0284 9.2465 129.7677 55.4641 40.6721 176.2520 40 L 3.8934 7.7845 119.3589 58.1408 42.0873 178.6357 41 L 3.9397 7.9007 120.1244 58.1312 42.0008 178.6254 42 E 3.9907 8.1347 118.0016 59.6138 29.0360 179.2824 43 R 3.9125 8.0405 118.3838 59.3450 29.9095 178.4151 44 A 4.0777 8.0685 119.8482 54.4947 18.4983 178.6911 45 L 4.3961 8.0301 114.9714 53.8130 42.5177 176.6424 46 G 3.8312 7.6660 105.6571 46.9868 0.0000 173.8305 47 I 4.6428 8.2869 119.9962 59.0368 40.2089 175.7397 48 G 4.3414 9.0969 115.2078 43.4892 0.0000 171.2610 49 R 3.9691 8.5238 119.4370 58.1214 30.1666 177.8377 50 G 3.9786 8.9686 112.8181 45.7582 0.0000 173.4249 51 D 4.5374 7.7534 118.2268 55.1931 41.5132 176.0861 52 A 4.6029 7.2264 117.3329 51.0042 21.9571 175.9966 53 K 4.2941 8.4070 119.9251 55.9796 33.7744 176.4003 54 V 4.8320 8.2994 123.2278 61.2249 34.0867 174.3594 55 I 4.6108 9.1651 129.0235 59.5743 39.6173 174.9332 56 K 5.6703 8.7365 124.7598 54.1588 36.2506 175.0839 57 N 4.9305 8.4192 119.6958 51.5942 41.1546 172.6129 58 A 3.9980 8.5918 120.8810 52.9220 18.4659 177.7887 59 G 3.7622 8.9346 109.8916 45.6427 0.0000 172.3274 60 N 4.5123 7.8710 114.2992 52.1846 36.2744 173.8973 61 I 4.0322 7.6501 117.3272 61.4398 38.4424 176.4025 62 V 3.9068 8.2762 125.5311 62.0974 31.1619 173.9309 63 D 5.1928 8.0579 128.5930 51.2560 42.4287 175.7622 64 D 4.4408 8.7980 117.3160 57.7499 40.6830 178.7726 65 G 3.6487 8.1246 105.7809 47.8659 0.0000 175.7018 66 V 3.6096 8.3305 121.1789 65.6971 31.5920 178.1155 67 I 3.6693 7.9207 119.6460 64.2842 36.9454 178.3754 68 R 3.9028 8.3855 119.8769 59.6709 29.9911 178.7780 69 S 4.1266 8.1650 114.6769 61.5716 62.9316 176.6027 70 A 3.9659 8.3711 123.5640 54.8976 17.9685 179.6079 71 A 3.6022 8.0560 119.4205 55.0908 18.5870 179.9168 72 V 3.5311 7.8632 116.5426 66.2763 31.6779 178.0364 73 A 4.0011 7.9968 120.2823 55.1565 18.0583 179.6784 74 I 3.8804 7.1712 119.2245 64.1656 37.1016 178.2396 75 Y 4.3914 7.6002 116.4646 60.5856 37.8819 177.3740 76 A 4.5077 7.9404 119.4968 52.7482 19.9019 177.7109 77 L 4.3150 8.0797 115.6292 54.5222 43.3491 176.8998 78 G 3.8982 7.9394 105.5287 45.9003 0.0000 173.1328 79 D 4.8411 8.0146 118.9693 53.1875 42.4774 177.0940 80 N 5.1884 8.8843 119.4809 52.2398 39.3165 173.1672 81 E 5.1284 7.9691 120.2226 55.2942 33.4552 173.6278 82 I 5.1184 9.1936 127.3832 59.5525 41.1242 174.4271 83 I 5.0068 8.7418 126.6096 59.6300 40.6223 174.3913 84 I 4.5841 8.7652 128.5822 60.1267 38.7722 174.9930 85 V 4.6155 9.1960 127.8437 61.1957 33.5196 175.3151 86 G 4.3072 8.8891 116.9149 43.6251 0.0000 170.2623 87 H 5.6133 8.1767 113.9168 53.9936 31.4659 173.5860 88 T 4.0064 8.4312 110.3595 61.8774 69.7357 173.2683 89 D 4.3149 8.5385 119.3634 55.4646 39.7013 173.3094 90 C 4.3923 8.3762 118.5164 58.2334 32.5563 174.2702 91 G 3.7546 8.8446 113.7605 48.2333 0.0000 175.3606 92 M 4.2156 8.0270 118.9212 57.4052 32.0998 177.3174 93 A 4.4837 7.6841 119.1403 52.2040 19.1385 177.4996 94 R 4.6007 7.7168 117.0088 55.3085 31.6566 175.3232 95 L 3.9724 8.1931 120.3882 55.3297 42.6591 176.7798 96 D 4.7341 8.3482 126.2434 52.6013 40.2962 175.9150 97 E 4.0293 8.3228 125.2001 58.7633 29.7406 178.2950 98 D 4.3354 8.1179 118.7552 57.3572 40.8699 178.3585 99 L 4.0957 7.9425 121.6179 57.6058 42.1454 178.9190 100 I 3.7875 7.7993 119.8228 64.2371 37.0626 178.4459 101 V 3.6884 8.2027 119.7780 65.9932 31.4309 178.2388 102 S 4.1524 8.0772 113.9647 61.6648 62.9655 176.7944 103 R 4.3411 7.7819 122.9905 58.5263 29.7669 178.9993 104 M 4.0772 8.1735 118.6599 58.5024 31.9850 179.0051 105 R 3.9942 8.1571 118.1135 59.2382 29.7185 178.9915 106 E 4.0918 8.0175 118.0980 58.9214 29.2569 178.2252 107 L 4.4674 7.5409 115.9584 54.1862 41.7154 177.0170 108 G 3.8369 7.6379 106.3422 46.4206 0.0000 174.2955 109 V 3.7599 7.6801 119.7826 61.7052 32.2725 176.3823 110 E 4.1032 8.6961 126.4745 56.4399 31.2551 177.7103 111 E 3.9585 8.8596 122.1674 59.8854 29.5453 179.4875 112 E 3.9408 8.1675 118.4599 59.2221 29.7269 178.8770 113 V 3.5794 7.7160 117.6759 66.0339 31.7319 177.7874 114 I 3.7704 7.7477 119.5073 64.4571 36.9847 177.8688 115 E 3.9395 8.5627 120.4438 59.5345 29.4708 178.4359 116 N 4.3407 8.4606 117.0370 56.5058 38.9116 176.7132 117 F 4.3746 8.3041 122.2397 61.4434 39.3420 177.3682 118 S 4.0604 8.4916 113.8991 61.6083 62.6636 176.5590 119 I 3.8327 7.6627 121.4702 64.5242 36.9574 177.9467 120 D 4.6868 7.8814 118.4549 56.2336 40.8420 176.8767 121 V 3.6368 7.3026 120.0670 61.5882 30.5807 175.3996 122 L 3.9689 8.2986 127.3454 54.6366 42.0488 177.4475 123 N 4.3769 8.5613 119.0572 52.8673 37.5641 173.9660 124 P 4.5860 0.0000 0.0000 61.7831 30.2808 176.4178 125 V 3.4791 7.9496 122.1771 62.1229 31.1374 178.3322 126 G 4.0613 8.3580 105.6770 42.8205 0.0000 173.5797 127 D 4.6071 8.2122 120.3793 52.6439 41.5483 176.9349 128 E 3.9050 8.6768 117.8257 59.9423 29.3965 179.4497 129 E 3.9819 8.1667 117.7786 59.4938 29.5121 179.1492 130 E 3.9644 8.5834 118.6230 59.3425 29.4200 178.8840 131 N 4.2498 8.3635 117.2650 56.5039 38.9968 177.0055 132 V 3.5581 7.6872 119.4069 66.1702 31.6810 177.9932 133 I 3.6294 7.6011 119.2411 64.4093 36.9021 178.0001 134 E 4.0011 8.5453 120.5285 59.2243 29.4482 179.1398 135 G 3.5527 8.3538 106.0562 47.6688 0.0000 175.8210 136 V 3.5749 7.8463 120.6407 65.7618 31.6424 178.3255 137 K 3.8715 7.9878 118.1571 59.4718 31.6246 179.5808 138 R 3.9341 7.8347 117.5374 59.0571 30.1497 178.9719 139 L 4.1024 7.9662 118.6888 57.9166 41.5664 179.7092 140 K 3.9496 8.0902 117.1855 58.6866 31.9505 178.4253 141 S 4.6102 7.5392 112.1028 57.1566 63.8180 173.5865 142 S 4.5374 7.7505 118.9671 56.7749 62.9456 173.1704 143 P 4.4317 0.0000 0.0000 64.7121 31.3175 177.0672 144 L 4.2788 7.7585 118.3632 55.9382 41.9765 176.6136 145 I 4.2583 7.4239 119.3968 58.4625 37.0683 173.5623 146 P 4.4080 0.0000 0.0000 62.7732 31.7132 177.8003 147 E 4.2130 8.6688 120.3469 58.3551 29.6685 178.1878 148 S 4.3225 7.9402 112.3146 59.6847 63.7305 173.9357 149 I 4.2728 7.4479 123.4409 60.3207 37.9484 175.9176 150 G 3.6870 8.6909 115.1379 46.0044 0.0000 172.5390 151 V 4.8353 9.5989 126.3287 61.7089 33.1366 174.4268 152 H 5.3399 9.2560 125.8767 54.2227 32.0845 174.2654 153 G 4.4861 9.3296 106.7534 44.8122 0.0000 171.8828 154 L 5.4969 9.2389 123.9597 53.0787 47.0887 175.1353 155 I 5.0395 8.5245 119.2857 59.6098 41.6345 173.4503 156 I 4.9497 8.5954 129.1325 58.9851 41.0550 173.8721 157 D 4.7042 8.8998 128.7631 53.9624 41.3890 176.9927 158 I 3.7551 8.6536 127.2174 63.0741 38.2854 175.9762 159 N 4.8168 8.7130 116.7107 54.1192 40.0481 175.6927 160 T 4.2071 8.2769 106.3321 61.1137 70.0586 175.8181 161 G 3.9103 8.3962 109.4535 44.9265 0.0000 173.3079 162 R 4.1071 7.8506 121.4938 56.2345 31.0984 175.3394 163 L 4.9996 8.8504 126.2951 53.4521 43.7982 176.1573 164 K 4.6128 8.8043 123.2596 53.8744 35.1691 173.6284 165 P 4.6999 0.0000 0.0000 63.0668 31.5369 176.0447 166 L 4.7271 8.6437 121.7016 55.6835 44.6710 176.4193 167 Y 4.4575 7.6753 116.9284 56.7391 42.2145 172.8601 168 L 4.7382 7.9297 127.3177 52.9155 43.1677 176.0384 169 D 4.3225 8.6880 124.0459 53.6349 42.8122 175.7180 170 E 4.2442 8.7361 120.3762 56.2671 30.2087 174.3399 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 7.88 4.12 1.99 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 0.71 0.91 0.00 0.00 3 I 7.60 3.39 1.69 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 1.26 1.36 0.69 0.00 0.00 4 K 8.65 3.89 0.00 1.73 1.83 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.47 7.81 5 D 8.00 4.49 0.00 2.93 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 6 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 1.68 0.98 0.90 0.00 0.00 7 L 7.96 3.73 0.00 1.79 1.72 0.91 1.17 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 8 R 8.20 3.98 0.00 1.88 2.05 0.00 3.24 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 9 E 7.69 4.55 0.00 1.98 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 2.24 2.27 0.00 10 N 6.96 4.96 0.00 2.65 1.85 0.00 0.00 7.09 7.57 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 *25 P 0.00 4.16 0.00 2.10 2.14 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.35 0.00 26 K 8.55 4.68 0.00 1.71 2.01 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.43 7.81 27 L 7.76 5.21 0.00 1.70 1.49 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.95 5.30 0.00 3.19 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 29 I 8.95 4.92 1.87 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 1.23 1.05 0.92 0.00 0.00 30 I 8.70 4.82 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.91 0.00 0.00 31 T 8.72 4.74 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 32 C 8.62 5.11 0.00 3.31 2.87 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 33 M 8.40 4.38 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 34 D 8.18 4.36 0.00 2.68 2.47 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 35 S 8.70 4.23 0.00 4.03 4.11 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 0.00 0.00 0.00 36 R 8.25 4.12 0.00 1.85 2.00 0.00 3.10 0.00 0.00 3.51 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 37 L 7.65 4.21 0.00 1.75 1.67 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.13 4.00 1.97 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 1.29 0.46 0.91 0.00 0.00 39 D 9.25 5.03 0.00 2.90 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 40 L 7.78 3.89 0.00 1.78 1.65 1.02 0.53 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 41 L 7.90 3.94 0.00 1.89 1.71 0.93 0.94 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 42 E 8.13 3.99 0.00 2.24 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 0.00 2.40 2.43 0.00 43 R 8.04 3.91 0.00 2.14 1.92 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 44 A 8.07 4.08 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 45 L 8.03 4.40 0.00 1.63 1.72 0.93 0.81 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 46 G 7.67 3.83 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 0.00 0.00 0.00 47 I 8.29 4.64 1.87 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 1.23 0.80 0.91 0.00 0.00 48 G 9.10 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.52 3.97 0.00 1.78 1.87 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 50 G 8.97 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 51 D 7.75 4.54 0.00 2.80 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 52 A 7.23 4.60 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 53 K 8.41 4.29 0.00 1.78 1.72 0.00 1.49 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.42 7.81 54 V 8.30 4.83 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 0.82 0.00 0.00 0.99 0.00 0.00 55 I 9.17 4.61 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.91 0.00 0.00 56 K 8.74 5.67 0.00 1.57 1.65 0.00 1.81 0.00 0.00 2.53 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.26 7.81 57 N 8.42 4.93 0.00 2.73 2.91 0.00 0.00 6.15 7.72 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 58 A 8.59 4.00 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 59 G 8.93 3.76 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 0.00 0.00 0.00 60 N 7.87 4.51 0.00 2.98 3.15 0.00 0.00 6.73 7.68 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 61 I 7.65 4.03 1.86 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 1.45 0.74 0.90 0.00 0.00 62 V 8.28 3.91 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 63 D 8.06 5.19 0.00 2.84 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 64 D 8.80 4.44 0.00 2.79 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 65 G 8.12 3.65 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 66 V 8.33 3.61 2.22 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 1.11 0.00 0.00 1.05 0.00 0.00 67 I 7.92 3.67 1.99 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 1.40 0.92 0.92 0.00 0.00 68 R 8.39 3.90 0.00 1.86 2.17 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 69 S 8.16 4.13 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.37 3.97 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 71 A 8.06 3.60 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.86 3.53 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 1.01 0.00 0.00 1.02 0.00 0.00 73 A 8.00 4.00 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 74 I 7.17 3.88 1.17 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.48 0.00 0.00 75 Y 7.60 4.39 0.00 2.98 2.94 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 76 A 7.94 4.51 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 77 L 8.08 4.31 0.00 1.89 1.71 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.94 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 79 D 8.01 4.84 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.88 5.19 0.00 2.81 2.97 0.00 0.00 6.06 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 81 E 7.97 5.13 0.00 2.03 1.78 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 2.33 2.41 0.00 82 I 9.19 5.12 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.95 0.00 0.00 83 I 8.74 5.01 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 1.33 0.89 0.95 0.00 0.00 84 I 8.77 4.58 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.92 0.00 0.00 85 V 9.20 4.62 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 0.98 0.00 0.00 0.95 0.00 0.00 86 G 8.89 4.31 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 0.00 87 H 8.18 5.61 0.00 3.18 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.43 4.01 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 89 D 8.54 4.31 0.00 2.82 2.81 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 90 C 8.38 4.39 0.00 2.79 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 91 G 8.84 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 92 M 8.03 4.22 0.00 1.98 2.14 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 2.73 2.56 0.00 93 A 7.68 4.48 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 94 R 7.72 4.60 0.00 1.77 1.86 0.00 3.17 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 1.55 1.54 0.00 95 L 8.19 3.97 0.00 1.71 1.56 0.92 1.14 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 96 D 8.35 4.73 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.32 4.03 0.00 2.02 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 2.33 2.36 0.00 98 D 8.12 4.34 0.00 2.89 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 99 L 7.94 4.10 0.00 1.88 1.89 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.80 3.79 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 1.10 0.00 0.00 101 V 8.20 3.69 2.29 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 1.08 0.00 0.00 1.00 0.00 0.00 102 S 8.08 4.15 0.00 4.12 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 7.78 4.34 0.00 1.99 2.03 0.00 3.16 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 104 M 8.17 4.08 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.53 0.00 105 R 8.16 3.99 0.00 2.05 1.99 0.00 3.13 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 106 E 8.02 4.09 0.00 2.21 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 2.33 2.63 0.00 107 L 7.54 4.47 0.00 1.75 1.67 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 108 G 7.64 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 0.00 109 V 7.68 3.76 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 0.75 0.00 0.00 0.93 0.00 0.00 110 E 8.70 4.10 0.00 2.05 1.87 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 2.40 2.40 0.00 111 E 8.86 3.96 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 112 E 8.17 3.94 0.00 2.04 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 2.39 2.38 0.00 113 V 7.72 3.58 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 0.98 0.00 0.00 0.93 0.00 0.00 114 I 7.75 3.77 2.06 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 1.44 0.55 0.99 0.00 0.00 115 E 8.56 3.94 0.00 2.05 2.22 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 2.33 2.34 0.00 116 N 8.46 4.34 0.00 3.01 3.03 0.00 0.00 6.91 7.47 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 0.00 117 F 8.30 4.37 0.00 3.21 3.28 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 0.00 118 S 8.49 4.06 0.00 3.94 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 0.00 119 I 7.66 3.83 2.01 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 1.51 0.59 0.90 0.00 0.00 120 D 7.88 4.69 0.00 2.66 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 0.00 121 V 7.30 3.64 1.67 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 0.56 0.00 0.00 0.18 0.00 0.00 122 L 8.30 3.97 0.00 1.63 1.58 0.90 1.06 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 0.00 123 N 8.56 4.38 0.00 2.78 2.82 0.00 0.00 6.14 7.75 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 0.00 124 P 0.00 4.59 0.00 2.05 2.03 0.00 3.64 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 2.00 2.03 0.00 125 V 7.95 3.48 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.91 0.00 0.00 126 G 8.36 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 0.00 127 D 8.21 4.61 0.00 2.92 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 0.00 128 E 8.68 3.91 0.00 2.04 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 2.63 2.41 0.00 129 E 8.17 3.98 0.00 2.01 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 2.40 2.40 0.00 130 E 8.58 3.96 0.00 2.27 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 2.32 2.31 0.00 131 N 8.36 4.25 0.00 2.81 2.94 0.00 0.00 6.85 7.33 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 0.00 132 V 7.69 3.56 2.27 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 1.06 0.00 0.00 1.08 0.00 0.00 133 I 7.60 3.63 1.98 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 1.63 0.95 0.83 0.00 0.00 134 E 8.55 4.00 0.00 2.03 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 0.00 2.28 2.35 0.00 135 G 8.35 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.57 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 0.90 0.00 0.00 0.97 0.00 0.00 137 K 7.99 3.87 0.00 1.96 1.78 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.46 7.81 138 R 7.83 3.93 0.00 1.92 1.97 0.00 3.33 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 139 L 7.97 4.10 0.00 1.84 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.09 3.95 0.00 1.78 1.86 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.24 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.49 1.44 7.81 141 S 7.54 4.61 0.00 4.04 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 0.00 142 S 7.75 4.54 0.00 3.87 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 0.00 143 P 0.00 4.43 0.00 2.23 2.17 0.00 3.82 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 2.01 2.00 0.00 144 L 7.76 4.28 0.00 1.75 1.90 0.97 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 0.00 145 I 7.42 4.26 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.89 0.89 0.00 0.00 146 P 0.00 4.41 0.00 2.22 2.05 0.00 3.57 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 147 E 8.67 4.21 0.00 1.97 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 2.33 2.31 0.00 148 S 7.94 4.32 0.00 3.99 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 0.00 149 I 7.45 4.27 1.99 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 1.16 0.79 0.89 0.00 0.00 150 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 0.00 151 V 9.60 4.84 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 0.82 0.00 0.00 0.97 0.00 0.00 152 H 9.26 5.34 0.00 3.12 3.31 0.00 5.61 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 0.00 153 G 9.33 4.49 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 0.00 0.00 0.00 154 L 9.24 5.50 0.00 1.55 1.54 0.93 0.35 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 0.00 155 I 8.52 5.04 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 1.12 1.57 0.97 0.00 0.00 156 I 8.60 4.95 1.89 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 1.12 1.55 0.97 0.00 0.00 157 D 8.90 4.70 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 3.76 2.11 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 1.30 0.79 0.94 0.00 0.00 159 N 8.71 4.82 0.00 2.83 2.83 0.00 0.00 6.89 7.82 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 0.00 160 T 8.28 4.21 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 1.26 0.00 0.00 161 G 8.40 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 0.00 162 R 7.85 4.11 0.00 1.94 1.81 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 163 L 8.85 5.00 0.00 1.64 1.57 0.98 0.71 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 0.00 164 K 8.80 4.61 0.00 1.79 1.62 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 165 P 0.00 4.70 0.00 2.10 2.02 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 166 L 8.64 4.73 0.00 1.68 1.77 0.94 0.75 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 0.00 167 Y 7.68 4.46 0.00 2.98 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 0.00 168 L 7.93 4.74 0.00 1.32 1.42 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.69 4.32 0.00 3.01 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 0.00 170 E 8.74 4.24 0.00 2.03 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 0.00 2.13 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.