NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 Q 4.3908 8.2033 118.8312 55.7161 31.4043 176.6861 11 Q 3.8639 8.2581 116.4106 58.1628 29.2044 177.6073 12 N 4.4245 8.9831 118.3674 55.9660 39.1274 177.2414 13 K 3.9974 8.0280 119.6485 59.4015 32.2175 179.0425 14 R 3.6231 8.2032 118.9817 59.3032 30.0056 178.3066 15 L 3.8180 7.9038 119.9980 58.0319 42.0595 178.7462 16 I 3.6828 8.0793 120.4238 64.8115 37.0905 178.5232 17 T 3.8933 7.7947 110.1823 64.7525 68.5892 176.2550 18 I 3.5363 7.6264 122.7566 64.3622 37.1482 178.3455 19 S 4.1120 8.0369 115.5679 61.9266 62.6884 176.7243 20 M 4.0780 7.9156 121.1772 58.5487 31.7537 178.9055 21 L 4.0698 8.1309 119.0897 57.8939 41.6552 179.8200 22 S 4.1640 8.3032 115.0495 61.1859 62.7316 176.5748 23 A 4.0740 8.0979 123.5913 55.3690 18.1958 179.6956 24 I 3.6764 7.9113 118.0984 64.3643 36.9186 178.5571 25 A 3.9559 7.9060 120.4967 55.1323 18.6094 178.8727 26 F 4.2710 8.4196 119.5089 61.7528 39.3804 177.0132 27 V 3.3451 7.7096 117.3406 66.2784 30.9154 177.7373 28 L 4.1581 8.1197 117.8125 57.1599 41.3106 179.5527 29 T 4.0482 7.0707 117.0772 65.6909 68.3237 175.7912 30 F 4.7742 7.3467 118.2123 58.4882 40.6724 176.9272 31 I 4.3154 7.1071 120.9535 59.9752 35.2241 174.8101 32 K 4.6680 7.8952 120.8182 54.4761 35.8642 178.0881 33 F 4.8352 7.9774 116.2980 55.2484 38.9732 171.5892 34 P 4.6197 0.0000 0.0000 62.3875 32.7777 175.3843 35 I 4.3255 8.2118 122.3663 59.2969 38.4124 173.9721 36 P 4.1289 0.0000 0.0000 64.0898 31.4605 177.1285 37 F 4.0930 8.3323 118.5647 57.7862 37.3953 174.8634 38 L 4.8892 7.5015 119.6201 51.6964 44.2955 174.2371 39 P 4.3164 0.0000 0.0000 62.2749 31.9195 174.5130 40 P 4.7066 0.0000 0.0000 62.9761 32.0993 175.8647 41 Y 4.2024 8.5862 116.6838 58.5178 38.5320 175.3036 42 L 3.8844 7.1921 121.7644 53.5587 41.8522 176.3934 43 T 3.9382 8.1519 114.3392 61.5534 70.1437 170.7592 44 L 3.7406 8.9283 132.3702 54.1001 41.8096 172.4245 45 D 4.1779 7.6016 123.3073 52.3058 42.0717 174.7771 46 F 4.6216 8.4003 116.5565 57.6817 39.0956 178.0522 47 S 4.3181 7.5413 114.7324 60.1764 63.0406 174.3744 48 D 4.6127 7.7431 120.4357 55.4784 42.4410 178.6546 49 V 3.6847 7.6268 119.0283 65.5946 31.4042 176.3358 50 P 4.3587 0.0000 0.0000 65.6430 31.2433 178.0074 51 S 4.0085 8.1366 112.6536 61.5409 62.0943 176.1982 52 L 3.4795 7.6251 121.1425 57.4656 40.9837 179.4205 53 L 4.3481 8.0848 117.9659 57.7711 41.7862 178.9738 54 A 4.2970 8.3333 121.2245 55.5718 18.3646 179.8659 55 T 4.5889 7.4732 109.3302 64.1814 68.6189 175.8336 56 F 5.2355 7.7359 118.6245 57.7797 39.2773 176.3387 57 T 4.6672 7.7891 115.0311 64.2179 71.7802 174.4766 58 F 4.7110 8.3316 120.9288 57.1792 39.6843 175.2614 59 G 3.8691 8.6806 117.9743 45.3895 0.0000 171.3662 60 P 3.9391 0.0000 0.0000 64.9773 31.3203 178.7739 61 V 3.5658 7.6213 112.2361 64.2420 31.3904 177.8405 62 A 4.0148 8.0639 120.1931 55.0855 18.2051 179.6525 63 G 3.4616 7.8377 103.5317 48.1502 0.0000 175.8204 64 I 3.7165 8.0549 123.1385 63.8162 36.9893 178.3504 65 I 3.6853 7.9176 120.9034 64.5530 36.9559 178.5867 66 V 3.5167 7.5784 118.2937 66.0631 31.5190 177.9519 67 A 4.0155 7.9720 120.5310 54.8708 18.0816 179.4800 68 L 4.0111 8.3943 119.1588 58.4454 42.4441 179.1939 69 V 3.5379 8.0253 118.6849 65.7403 31.4123 177.8506 70 K 3.8979 8.0108 118.4969 60.4266 32.2743 178.8559 71 N 4.4193 8.0922 117.4831 55.5841 38.5069 177.2632 72 L 4.0760 8.0740 120.4583 57.8717 41.9154 179.2557 73 L 3.6917 7.4745 118.1153 58.0756 41.5344 179.2510 74 N 4.6495 8.1699 116.5308 57.1765 38.5021 175.7729 75 Y 4.4975 8.0677 120.3332 60.5640 38.9812 177.4011 76 L 3.8293 7.8740 119.4547 58.8794 42.3086 179.3286 77 F 4.4076 9.1012 117.5956 59.9570 38.0733 178.6122 78 S 4.6561 8.8525 113.5209 58.4804 62.2105 174.6812 79 M 4.5006 8.1611 121.3910 56.2440 32.3793 175.4651 80 G 4.0915 9.2137 107.8152 45.0702 0.0000 173.2105 81 D 4.7692 7.2161 118.8086 51.8313 40.9641 172.4699 82 P 4.7587 0.0000 0.0000 61.9191 32.2771 177.3306 83 V 4.1921 7.6622 118.3136 63.3566 33.6796 177.5452 84 G 3.9549 8.2501 107.7167 47.2965 0.0000 173.3469 85 P 4.3160 0.0000 0.0000 65.3622 31.2298 178.4152 86 F 4.1264 8.7370 119.0976 61.3049 39.3820 176.9919 87 A 3.9490 8.1833 119.9890 55.3041 18.1883 178.9314 88 N 4.2212 8.3337 115.4797 56.6000 38.8888 176.9778 89 F 3.9303 8.0948 122.1648 61.0741 39.4461 177.0759 90 L 3.7015 7.9073 118.5414 57.6832 41.4169 179.1040 91 A 3.9899 8.0222 120.6509 55.1434 18.2291 179.4763 92 G 3.6397 7.8340 103.5168 48.1135 0.0000 175.5733 93 A 3.7039 7.6343 124.0519 54.2823 18.1621 179.6490 94 S 3.9874 8.0965 113.2596 61.6636 62.8873 176.5538 95 F 4.0425 8.2397 124.9677 60.6367 39.2196 177.0926 96 L 3.8595 8.3257 119.7062 58.5530 40.0885 179.3199 97 L 3.9315 8.2176 120.5416 57.9115 41.6686 179.5340 98 T 3.8626 7.9210 109.4978 64.7944 68.7489 176.3019 99 A 3.9603 7.8820 123.7953 54.9641 18.2779 178.9252 100 Y 4.5014 8.1585 117.7710 60.4167 38.6601 177.1340 101 A 4.2236 8.2015 119.0514 52.3410 18.7164 177.5316 102 I 4.3143 7.7565 120.6785 64.6467 40.0662 177.4056 103 Y 4.6926 8.0454 118.3320 58.8277 38.8514 177.1771 104 K 3.6327 7.8211 118.2659 60.1574 33.0802 177.7717 105 N 4.5034 7.0420 117.7821 51.9279 39.3930 173.7142 106 K 3.6202 8.5540 115.0522 58.4225 32.8422 178.0942 107 R 3.7809 8.3247 121.0087 56.3551 30.9194 174.5830 108 S 4.2616 8.5393 113.2009 59.3833 63.4407 175.8763 109 T 3.9781 9.6630 126.2863 67.8466 68.7670 174.7002 110 K 3.9587 8.1198 119.3747 59.6223 31.9617 179.1933 111 S 4.0962 8.7122 113.7420 60.9068 62.3195 175.7434 112 L 3.8929 7.9843 122.5991 58.3843 41.9083 178.8473 113 I 3.7497 7.7996 119.5157 64.7947 37.0839 178.4915 114 T 4.0223 7.9396 113.4039 64.8703 67.0554 176.4929 115 G 3.5661 8.2908 108.2691 47.6054 0.0000 175.7914 116 L 3.8360 7.9399 121.3025 57.4019 41.6796 179.6412 117 I 3.7243 7.7431 119.7694 64.6451 37.1624 178.6750 118 I 3.7316 7.9382 120.3510 63.9130 36.7832 178.3231 119 A 4.2437 8.1245 123.5280 54.8817 18.0570 179.8925 120 T 4.1627 8.2350 108.2087 64.9827 68.7902 176.8354 121 I 3.7099 7.7030 122.7159 64.3486 37.0657 178.0054 122 V 3.5122 8.3523 119.4926 65.9572 31.3171 177.3619 123 M 4.0230 8.3065 118.8993 58.7091 32.0727 178.8182 124 T 3.9163 8.1526 115.5120 66.6069 68.6082 176.7544 125 I 3.6794 7.7532 121.7097 64.5421 37.2128 178.6381 126 V 3.6396 8.2194 119.3284 66.0209 31.3113 177.9465 127 L 4.1640 8.1213 118.5029 57.4212 41.4549 179.3639 128 S 4.2554 8.2782 114.6090 61.6469 62.8596 176.0518 129 I 3.9312 7.9656 123.5125 63.9402 36.6951 178.0174 130 L 4.1591 8.3214 121.6851 57.5733 41.9689 179.0728 131 N 4.6845 8.5191 116.6418 55.4239 39.3552 174.9777 132 Y 5.0211 8.5453 120.6102 55.7089 35.9052 176.0040 133 F 5.5913 7.2815 127.1461 58.0115 42.6573 175.2916 134 V 4.5817 7.1844 119.1721 62.7971 37.1875 175.5423 135 L 4.1833 8.1579 120.0815 57.3496 41.5327 178.7504 136 L 4.0621 7.8561 119.4807 58.7986 40.1619 177.7174 137 P 4.2136 0.0000 0.0000 64.1365 30.9561 177.3290 138 L 4.4973 7.5246 117.3666 55.4720 41.8798 177.3409 139 Y 4.2457 8.4490 119.5897 59.8132 39.0903 176.4842 140 G 4.0057 8.3371 109.5901 49.6757 0.0000 175.1450 141 M 3.9636 8.1094 120.2620 57.1980 31.9859 180.1916 *153 K 4.6185 8.0446 119.3509 54.7683 34.3839 180.9497 154 V 3.9513 7.8372 114.3226 63.8751 31.3105 178.5885 155 I 3.7788 7.8540 117.7560 64.3999 37.1213 178.0648 156 I 3.9225 7.7170 120.2578 64.5020 37.0133 178.4748 157 V 3.8093 7.9674 118.8182 65.2282 30.9598 176.7628 158 S 5.0640 7.8613 113.8986 58.7616 63.6306 175.5005 159 G 4.0617 8.2764 110.8191 45.4089 0.0000 176.1040 160 I 3.6056 7.5083 121.7468 64.6142 37.3188 177.7640 161 I 3.6998 8.0652 120.8204 64.0530 36.5920 176.4139 162 P 4.2309 0.0000 0.0000 66.7008 30.7715 177.4012 163 F 4.1451 7.9004 119.7747 60.8046 39.1997 176.4358 164 N 3.9590 8.6887 115.7161 56.6011 38.4865 177.3109 165 I 3.6288 7.7436 120.6630 64.6924 37.2133 178.6148 166 I 3.6298 7.2373 119.8125 63.8963 36.8029 178.5083 167 K 3.6154 7.5620 120.6611 59.6290 31.9806 178.4273 168 G 3.5882 7.9660 105.7568 48.4193 0.0000 174.9158 169 I 3.6510 8.1170 121.6402 64.3503 37.2570 178.6643 170 V 3.6399 8.2861 118.5546 66.1811 31.5201 178.2197 171 I 3.7585 7.7787 119.5981 64.6368 36.8205 178.6186 172 S 4.3660 8.0584 115.8304 61.6286 62.6665 176.7117 173 I 3.7578 8.2391 122.9173 64.4823 36.9133 178.6756 174 V 3.6167 8.2146 119.2709 65.9365 31.4091 177.6650 175 F 4.2720 8.8421 120.8102 61.4743 39.2459 177.1734 176 I 3.5338 8.1448 119.3529 64.2618 36.9626 178.1456 177 L 3.9670 8.0215 119.8118 57.9931 41.3036 179.7296 178 L 3.9385 7.6076 117.0518 58.0655 41.8058 178.5227 179 Y 4.1157 8.1160 119.7728 60.7736 38.4086 177.9814 180 R 3.7675 8.0416 119.4835 59.4448 29.9377 178.5175 181 R 4.0800 7.6584 113.2081 57.4613 30.2944 177.5012 182 L 4.2790 7.4477 117.6752 55.5931 41.9221 178.4633 183 A 3.9342 8.8743 122.1684 55.2978 18.1545 179.8418 184 N 3.1968 7.3201 104.6073 54.1505 39.2476 174.5348 185 F 4.5744 8.7032 122.0765 58.1999 40.5447 175.6727 186 L 4.1453 7.7687 123.1227 57.3407 41.2676 176.8804 187 K 4.4336 7.3982 118.1781 58.4768 36.1909 176.9618 188 R 3.7265 7.6228 123.3711 55.2804 29.3423 178.5910 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 10 Q 8.20 4.39 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 11 Q 8.26 3.86 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 12 N 8.98 4.42 0.00 2.78 2.87 0.00 0.00 7.14 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 13 K 8.03 4.00 0.00 2.05 1.95 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.56 7.81 14 R 8.20 3.62 0.00 2.16 2.11 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 0.00 15 L 7.90 3.82 0.00 1.72 1.82 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.08 3.68 2.02 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 1.58 0.66 0.92 0.00 0.00 17 T 7.79 3.89 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 1.30 0.00 0.00 18 I 7.63 3.54 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.82 0.00 0.00 19 S 8.04 4.11 0.00 4.07 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 20 M 7.92 4.08 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 21 L 8.13 4.07 0.00 1.85 1.73 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.30 4.16 0.00 4.00 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 23 A 8.10 4.07 1.45 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 24 I 7.91 3.68 1.90 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 1.48 0.47 0.94 0.00 0.00 25 A 7.91 3.96 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 26 F 8.42 4.27 0.00 2.98 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 27 V 7.71 3.35 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 0.99 0.00 0.00 0.95 0.00 0.00 28 L 8.12 4.16 0.00 1.86 1.80 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.07 4.05 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 0.54 0.00 0.00 30 F 7.35 4.77 0.00 3.04 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 31 I 7.11 4.32 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.59 1.17 0.00 0.00 32 K 7.90 4.67 0.00 1.62 1.70 0.00 1.23 0.00 0.00 2.43 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.29 7.81 33 F 7.98 4.84 0.00 3.09 3.11 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 34 P 0.00 4.62 0.00 1.97 2.06 0.00 3.80 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 35 I 8.21 4.33 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.43 1.04 0.00 0.00 36 P 0.00 4.13 0.00 1.75 1.21 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 37 F 8.33 4.09 0.00 3.26 3.19 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 0.00 38 L 7.50 4.89 0.00 1.81 1.55 1.06 0.92 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 39 P 0.00 4.32 0.00 1.45 1.84 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.16 0.00 40 P 0.00 4.71 0.00 2.22 2.19 0.00 3.95 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 41 Y 8.59 4.20 0.00 3.07 2.96 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 42 L 7.19 3.88 0.00 0.88 0.13 0.38 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.15 3.94 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 44 L 8.93 3.74 0.00 1.99 1.46 0.52 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.60 4.18 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.40 4.62 0.00 3.20 3.14 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 47 S 7.54 4.32 0.00 3.97 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 48 D 7.74 4.61 0.00 2.55 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 49 V 7.63 3.68 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 1.23 0.00 0.00 1.14 0.00 0.00 50 P 0.00 4.36 0.00 2.45 2.34 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 51 S 8.14 4.01 0.00 3.83 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 52 L 7.63 3.48 0.00 1.62 0.24 0.67 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.08 4.35 0.00 1.89 1.95 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.33 4.30 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 55 T 7.47 4.59 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 0.90 0.00 0.00 56 F 7.74 5.24 0.00 2.98 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 57 T 7.79 4.67 4.61 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 1.08 0.00 0.00 58 F 8.33 4.71 0.00 2.96 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 59 G 8.68 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 3.94 0.00 2.15 1.91 0.00 3.56 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 61 V 7.62 3.57 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 0.78 0.00 0.00 0.93 0.00 0.00 62 A 8.06 4.01 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 63 G 7.84 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 64 I 8.05 3.72 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.88 1.09 0.00 0.00 65 I 7.92 3.69 2.01 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 1.39 0.76 0.87 0.00 0.00 66 V 7.58 3.52 2.17 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 1.03 0.00 0.00 0.92 0.00 0.00 67 A 7.97 4.02 1.19 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 0.00 0.00 0.00 68 L 8.39 4.01 0.00 2.03 1.94 0.53 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.03 3.54 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 70 K 8.01 3.90 0.00 2.07 2.27 0.00 1.34 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.67 1.51 7.81 71 N 8.09 4.42 0.00 3.09 2.98 0.00 0.00 7.09 6.79 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 72 L 8.07 4.08 0.00 1.84 1.71 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.47 3.69 0.00 0.59 0.13 0.30 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.17 4.65 0.00 2.95 3.10 0.00 0.00 6.93 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 75 Y 8.07 4.50 0.00 3.05 3.27 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 76 L 7.87 3.83 0.00 2.26 1.74 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.10 4.41 0.00 3.30 3.11 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 78 S 8.85 4.66 0.00 4.51 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 79 M 8.16 4.50 0.00 1.91 2.29 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 80 G 9.21 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.22 4.77 0.00 2.85 2.63 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 82 P 0.00 4.76 0.00 2.19 2.35 0.00 3.51 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 1.97 2.16 0.00 83 V 7.66 4.19 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 0.87 0.00 0.00 1.01 0.00 0.00 84 G 8.25 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 0.00 0.00 0.00 85 P 0.00 4.32 0.00 2.02 2.21 0.00 4.00 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 86 F 8.74 4.13 0.00 2.97 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 87 A 8.18 3.95 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 88 N 8.33 4.22 0.00 2.93 3.12 0.00 0.00 6.86 7.02 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 89 F 8.09 3.93 0.00 3.15 2.98 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 90 L 7.91 3.70 0.00 1.64 1.59 0.72 1.18 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 91 A 8.02 3.99 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 92 G 7.83 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 0.00 0.00 0.00 0.00 93 A 7.63 3.70 0.71 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 0.00 0.00 94 S 8.10 3.99 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.24 4.04 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.33 3.86 0.00 1.75 2.05 0.71 0.65 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 97 L 8.22 3.93 0.00 1.91 1.74 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.92 3.86 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 1.27 0.00 0.00 99 A 7.88 3.96 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 0.00 100 Y 8.16 4.50 0.00 3.24 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 0.00 101 A 8.20 4.22 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 0.00 102 I 7.76 4.31 1.97 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 1.14 1.35 0.91 0.00 0.00 103 Y 8.05 4.69 0.00 2.67 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 0.00 104 K 7.82 3.63 0.00 1.59 1.35 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.25 7.81 105 N 7.04 4.50 0.00 2.65 2.66 0.00 0.00 7.31 6.56 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 0.00 106 K 8.55 3.62 0.00 1.70 1.71 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 107 R 8.32 3.78 0.00 1.86 1.90 0.00 3.26 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 108 S 8.54 4.26 0.00 3.83 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 9.66 3.98 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 1.26 0.00 0.00 110 K 8.12 3.96 0.00 1.78 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 111 S 8.71 4.10 0.00 3.76 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 0.00 112 L 7.98 3.89 0.00 1.85 1.82 0.29 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.80 3.75 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.94 0.00 0.00 114 T 7.94 4.02 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 1.25 0.00 0.00 115 G 8.29 3.57 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 0.00 0.00 0.00 0.00 116 L 7.94 3.84 0.00 1.95 1.87 1.17 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.18 4.58 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 1.14 0.00 0.00 1.09 0.00 0.00 135 L 8.16 4.18 0.00 1.83 1.82 1.13 1.00 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 0.00 136 L 7.86 4.06 0.00 1.71 1.75 0.19 0.56 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 0.00 137 P 0.00 4.21 0.00 2.16 2.11 0.00 3.56 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 2.07 2.08 0.00 138 L 7.52 4.50 0.00 1.69 1.65 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.45 4.25 0.00 2.91 3.14 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 0.00 140 G 8.34 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 0.00 141 M 8.11 3.96 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 *153 K 8.04 4.62 0.00 1.70 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 154 V 7.84 3.95 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 1.19 0.00 0.00 1.01 0.00 0.00 155 I 7.85 3.78 1.92 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 1.67 0.51 0.94 0.00 0.00 156 I 7.72 3.92 2.23 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.62 1.07 0.00 0.00 157 V 7.97 3.81 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 0.98 0.00 0.00 0.92 0.00 0.00 158 S 7.86 5.06 0.00 3.90 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 0.00 159 G 8.28 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 0.00 160 I 7.51 3.61 1.95 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 1.54 0.86 0.95 0.00 0.00 161 I 8.07 3.70 1.88 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 1.57 0.99 0.91 0.00 0.00 162 P 0.00 4.23 0.00 2.31 2.38 0.00 3.66 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 2.23 2.19 0.00 163 F 7.90 4.15 0.00 2.99 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.69 3.96 0.00 2.97 2.87 0.00 0.00 7.17 6.51 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 0.00 165 I 7.74 3.63 2.02 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 1.51 0.56 0.88 0.00 0.00 166 I 7.24 3.63 1.67 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 1.38 0.82 0.88 0.00 0.00 167 K 7.56 3.62 0.00 0.89 1.33 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.06 0.97 7.81 168 G 7.97 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 3.65 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 1.42 0.72 0.93 0.00 0.00 170 V 8.29 3.64 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 1.27 0.00 0.00 0.97 0.00 0.00 171 I 7.78 3.76 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.18 0.72 0.00 0.00 172 S 8.06 4.37 0.00 4.23 4.08 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 0.00 173 I 8.24 3.76 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.96 0.00 0.00 174 V 8.21 3.62 2.41 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 1.00 0.00 0.00 1.14 0.00 0.00 175 F 8.84 4.27 0.00 3.22 3.41 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 0.00 176 I 8.14 3.53 2.33 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.80 1.01 0.00 0.00 177 L 8.02 3.97 0.00 1.89 1.72 1.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.61 3.94 0.00 1.74 1.73 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 179 Y 8.12 4.12 0.00 2.08 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 0.00 180 R 8.04 3.77 0.00 1.98 2.13 0.00 3.28 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 181 R 7.66 4.08 0.00 1.82 1.96 0.00 3.28 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 1.63 1.65 0.00 182 L 7.45 4.28 0.00 1.63 1.48 0.91 1.44 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 0.00 183 A 8.87 3.93 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 0.00 184 N 7.32 3.20 0.00 2.75 2.63 0.00 0.00 6.69 7.45 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 0.00 185 F 8.70 4.57 0.00 3.01 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 0.00 186 L 7.77 4.15 0.00 1.77 1.81 0.92 0.25 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 0.00 187 K 7.40 4.43 0.00 1.76 1.64 0.00 1.42 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.55 7.81 188 R 7.62 3.73 0.00 1.85 1.74 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.