NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.4585 8.2393 121.1232 56.5475 30.2348 173.1432 12 T 4.5067 8.7424 113.4298 59.3953 71.5226 172.6567 13 Y 4.8324 9.5741 123.6936 56.9947 39.2459 176.5983 14 L 4.6388 8.9996 123.9246 55.8618 43.7017 176.3949 15 Y 4.7880 7.8203 118.6410 56.6353 42.3980 173.5874 16 R 5.1586 7.6295 124.9882 53.7148 31.8442 174.5873 17 G 4.1969 8.0732 116.0016 43.8641 0.0000 171.6073 18 R 3.9821 8.8659 119.0255 59.0726 28.8359 178.4433 19 I 4.4238 7.5763 108.2489 60.1483 38.5529 174.0864 20 L 4.9836 7.3270 119.9514 55.2828 43.7506 173.5183 21 N 5.4894 9.1280 117.1651 51.4947 42.7764 173.0317 22 L 5.2181 9.3527 124.8076 53.5317 44.3088 175.0901 23 A 5.0659 9.4306 127.1362 50.0279 23.4573 174.2160 24 L 5.0090 9.0167 118.4753 53.1487 45.3154 175.8479 25 E 4.4791 9.3675 126.3198 54.4718 30.5171 178.2683 26 G 3.9916 8.8180 119.7487 46.4892 0.0000 173.7539 27 R 4.2233 9.1695 125.3476 56.7300 31.0618 174.8442 28 Y 4.3397 8.0237 116.2668 57.5548 38.7485 173.8924 29 E 4.9495 8.7414 123.8754 55.3489 31.0021 175.5655 30 I 4.8443 9.0363 125.7020 59.4400 41.2173 174.6386 31 V 4.8216 9.0195 127.4262 61.2968 33.3315 174.4066 32 E 4.8226 9.1539 129.0755 56.3839 30.7123 175.5512 33 H 5.3900 9.7009 123.4620 54.1272 33.2736 173.2075 34 K 4.3624 7.9218 123.2939 55.8419 32.8448 175.2150 35 P 4.7201 0.0000 0.0000 62.9687 33.1209 174.4746 36 A 5.2093 9.1971 121.8267 50.4429 23.3411 175.0289 37 V 5.2121 8.8082 110.6813 60.0331 36.3784 175.1361 38 A 5.1379 9.0676 122.8062 50.5869 23.0102 175.3213 39 V 4.7328 8.7555 121.3318 61.1763 34.0251 174.8689 40 I 4.3454 8.8729 129.4761 60.0821 38.8390 174.7527 41 A 5.1239 8.3536 127.9289 50.0462 22.3410 174.3365 42 L 5.2407 8.7397 123.6686 53.2451 45.0026 175.8659 43 R 4.4111 9.2081 125.2980 56.2344 32.8388 174.6567 44 E 3.8068 9.8815 125.5603 57.4905 26.7440 175.8502 45 G 4.0147 8.3849 105.7396 45.3879 0.0000 173.5423 46 R 4.8389 7.8460 119.3686 54.7541 32.7075 175.0894 47 M 4.7641 9.1064 123.1249 54.2189 34.4958 175.1663 48 L 3.5953 8.0778 127.6293 54.1082 41.6136 175.8441 49 F 5.0188 8.5064 124.8937 55.9634 42.0502 175.2829 50 V 5.0670 8.8834 112.9476 60.0125 36.2327 174.9770 51 R 5.2048 8.8629 121.1771 54.9009 34.7655 174.2529 52 Q 4.8648 8.2989 117.8065 55.1831 32.0089 173.4970 53 M 3.9883 8.7112 120.8733 55.7853 32.5616 176.6726 54 R 4.5162 8.2407 123.5699 53.1939 29.4671 174.3479 55 P 4.2281 0.0000 0.0000 65.5115 31.3638 178.9951 56 A 4.3073 8.1285 120.6852 54.2753 18.3667 178.1042 57 V 4.1966 7.1668 104.7383 60.4073 33.2296 176.6771 58 G 3.9038 9.2733 107.7823 45.5114 0.0000 172.7812 59 L 4.2622 7.3680 118.5251 54.8819 42.8375 173.7458 60 A 4.9955 8.4163 121.4799 48.7975 18.6804 174.3279 61 P 4.6276 0.0000 0.0000 62.8819 33.2912 175.8202 62 L 4.3016 8.9278 123.5167 54.9074 43.0743 175.4492 63 E 5.4985 9.1930 125.8554 54.5763 33.9181 174.4193 64 I 4.8799 7.8458 111.7401 58.2376 40.9433 173.7637 65 P 4.4054 0.0000 0.0000 62.8070 31.8903 175.2472 66 A 4.9490 8.1851 124.4159 51.2177 22.5083 174.7122 67 G 4.4211 8.1746 105.3983 46.3453 0.0000 172.5458 68 L 4.8925 8.5472 119.6723 54.0889 42.7825 177.2912 69 I 4.0262 8.1943 123.8149 61.1570 37.7879 176.2136 70 E 4.3342 9.4119 127.1256 54.4665 30.4766 174.4136 71 P 4.4692 0.0000 0.0000 64.4708 31.6012 176.9861 72 G 3.9479 8.9758 109.7654 45.2549 0.0000 173.0112 73 E 4.6610 7.7112 119.0249 55.0931 31.1947 175.7849 74 D 4.8585 8.5446 122.0442 51.0225 42.9879 175.8053 75 P 4.1949 0.0000 0.0000 65.9076 31.2636 178.5448 76 L 3.1414 7.9441 118.2199 58.0690 41.9770 178.7791 77 E 3.8692 8.7433 118.5786 59.2268 29.3399 179.1868 78 A 4.1327 7.9421 120.7166 54.9690 18.4063 179.5274 79 A 3.7673 7.8661 119.5112 55.1049 18.3331 179.7843 80 R 3.6932 7.6910 117.1735 59.4636 30.1240 178.7076 81 R 3.7971 7.9889 118.3870 59.5877 30.1978 178.2630 82 E 3.9600 8.4721 118.7856 59.2689 29.4349 179.1676 83 L 3.8698 7.9362 120.1161 58.0309 42.0765 178.9824 84 A 4.2367 7.8369 122.0044 54.8506 18.1518 179.5582 85 E 3.8981 8.3824 116.3068 59.3705 29.2868 179.0344 86 Q 4.2947 8.3086 117.9673 57.3052 28.9312 177.1827 87 T 4.4511 7.6829 106.4600 60.0048 70.2684 174.6473 88 G 3.8969 8.5617 110.9807 46.0929 0.0000 172.8137 89 L 5.3077 7.3885 117.9233 52.7917 45.0522 175.4272 90 S 4.7490 8.8707 115.0413 57.1474 66.4482 172.8353 91 G 4.1906 8.1422 109.5485 45.9132 0.0000 171.9526 92 D 4.8264 9.0290 120.6670 53.4938 41.7728 176.1502 93 L 5.1820 8.4958 123.8666 53.6207 43.8181 176.2737 94 T 4.7256 8.9008 119.3710 61.6081 72.0934 172.8225 95 Y 3.4619 8.8909 128.1526 57.9536 39.0175 174.2495 96 L 3.9161 6.9180 126.3527 54.3988 43.1616 176.4657 97 F 4.3724 5.4634 110.5573 56.4296 40.6761 171.5369 98 S 5.3900 8.7603 112.8745 57.2862 66.3976 172.6157 99 Y 4.7774 8.0951 116.6796 55.9537 41.4692 173.4899 100 F 4.8276 8.7111 120.2739 56.5658 39.3723 176.2912 101 V 4.0332 8.3468 118.4462 64.8623 31.9247 176.9023 102 S 4.7695 7.4806 109.7768 56.7997 62.1009 173.4605 103 P 4.4673 0.0000 0.0000 63.5905 31.4427 179.3561 104 G 3.7769 8.0450 107.5243 47.6375 0.0000 174.0570 105 F 5.0282 7.7854 110.2041 56.7081 42.0305 174.0167 106 T 5.1046 7.5716 114.6167 59.0489 70.0357 172.9920 107 D 4.8401 8.3587 123.9262 53.0042 40.6822 175.7711 108 E 4.0190 7.9403 122.2170 56.9715 30.7204 175.4178 109 K 4.6523 8.7125 127.6017 54.7285 35.5512 174.3074 110 T 4.8608 8.1713 123.8138 62.0004 71.3508 172.7220 111 H 5.1267 9.2066 124.1619 54.2791 30.9237 173.9064 112 V 4.8939 8.8040 124.3256 61.3617 33.4722 174.6554 113 F 5.0502 9.2454 125.6429 55.4924 43.1850 173.5189 114 L 5.0824 8.9114 122.5930 53.2982 44.4272 174.8113 115 A 5.2492 8.9547 127.7763 50.2905 21.2687 175.2936 116 E 4.6771 8.9023 120.9169 53.9368 34.3203 175.1631 117 N 4.2291 8.6910 115.1023 54.2106 36.0722 175.3512 118 L 4.4445 7.7963 116.1176 55.2413 42.9101 177.4342 119 K 4.7131 9.0117 121.1632 54.5908 36.8376 175.0723 120 E 4.6569 8.8916 125.0539 56.1391 29.5269 176.1534 121 V 4.2615 8.7665 120.3257 62.2795 33.6983 176.4408 122 E 4.4582 8.2700 114.5187 56.5367 29.3019 178.0155 *131 I 4.0761 8.9057 125.1064 61.9118 38.8805 174.5473 132 E 4.3790 9.1381 129.2997 55.1458 31.0462 175.0787 133 V 4.0789 8.3696 127.3712 62.4441 32.7398 175.7698 134 V 4.4002 8.9881 128.4418 60.5872 32.6140 172.8050 135 W 4.9701 8.6323 125.1858 56.3815 29.9217 175.1284 136 M 5.0060 9.4647 123.9796 53.9930 36.0280 174.3147 137 R 4.5473 8.7079 123.8039 55.1862 31.0905 176.0749 138 P 4.5320 0.0000 0.0000 65.8428 31.2427 178.7721 139 E 4.1664 8.1818 117.0287 59.4889 29.3720 179.0652 140 E 4.0418 8.1263 118.0442 59.0840 29.6850 178.9189 141 A 3.8542 8.1458 120.9283 55.0558 18.3915 179.4574 142 L 4.2021 8.3291 118.9961 58.2426 42.1852 178.7262 143 E 4.1870 8.1862 120.5654 58.9655 29.5470 178.9682 144 R 3.8742 8.3263 118.4583 59.5137 29.9943 178.5958 145 H 4.2990 8.0580 119.2474 58.8794 29.4045 177.4171 146 Q 3.9506 8.3766 119.9069 58.6201 28.3024 178.1266 147 R 4.3305 7.7328 116.7810 55.8879 30.3669 177.2499 148 G 3.8055 7.8370 107.2211 46.0258 0.0000 174.4808 149 E 4.1419 8.3105 122.3449 57.6424 30.0576 176.7891 150 V 4.4920 7.1549 116.5892 60.2886 35.0915 173.7967 151 E 4.6953 8.5867 120.9802 55.0841 32.3353 174.6736 152 F 5.6252 8.5840 119.4432 55.9837 42.1616 175.3597 153 S 4.7934 8.7246 116.2321 56.9269 65.3549 175.0449 154 A 4.0005 8.7962 122.0618 55.6399 18.0306 180.0132 155 T 4.0282 8.1076 107.9194 64.8927 68.8980 176.8740 156 G 3.8084 8.2903 108.6434 47.5247 0.0000 175.5024 157 L 3.0945 7.7768 123.0220 57.4314 42.0126 179.1250 158 V 3.6277 7.9731 118.5590 65.8633 31.4166 178.2022 159 G 3.6970 8.2462 105.4120 47.8489 0.0000 175.7440 160 V 3.8239 7.9175 121.0569 65.8494 31.5989 178.1748 161 L 4.0552 8.3549 119.1283 57.8235 41.3446 178.7918 162 Y 4.1636 8.6559 120.0688 60.7598 38.6808 177.4541 163 Y 4.0946 8.4406 120.4149 61.3252 38.7709 177.9902 164 H 3.7323 8.1239 115.1024 58.4368 28.7723 177.3810 165 A 3.7265 7.5354 121.8839 53.8694 18.4976 178.0788 166 F 4.7417 7.6513 111.7999 56.9359 40.8978 175.6792 167 L 4.5877 7.8036 119.6015 54.3520 41.9273 176.7176 168 R 4.0495 7.5104 123.6044 56.2456 30.2008 176.1313 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 11 R 8.24 4.46 0.00 1.82 1.98 0.00 3.07 0.00 0.00 3.35 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 12 T 8.74 4.51 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 1.23 0.00 0.00 13 Y 9.57 4.83 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 9.00 4.64 0.00 1.59 1.79 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.82 4.79 0.00 3.07 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 16 R 7.63 5.16 0.00 1.58 1.65 0.00 3.15 0.00 0.00 3.72 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 17 G 8.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.87 3.98 0.00 1.81 2.00 0.00 3.21 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 19 I 7.58 4.42 1.79 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 1.51 0.80 0.92 0.00 0.00 20 L 7.33 4.98 0.00 2.00 1.83 1.18 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 21 N 9.13 5.49 0.00 2.83 3.04 0.00 0.00 6.77 6.02 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 22 L 9.35 5.22 0.00 1.86 1.72 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 A 9.43 5.07 0.64 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 24 L 9.02 5.01 0.00 1.49 1.54 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.37 4.48 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 26 G 8.82 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 0.00 0.00 0.00 27 R 9.17 4.22 0.00 1.70 1.77 0.00 2.86 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.41 0.00 28 Y 8.02 4.34 0.00 3.13 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.74 4.95 0.00 1.90 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 2.27 2.33 0.00 30 I 9.04 4.84 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 1.15 0.90 0.90 0.00 0.00 31 V 9.02 4.82 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 1.13 0.00 0.00 1.25 0.00 0.00 32 E 9.15 4.82 0.00 2.07 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 2.38 2.33 0.00 33 H 9.70 5.39 0.00 3.07 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.92 4.36 0.00 1.69 1.75 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.37 7.81 35 P 0.00 4.72 0.00 2.17 2.21 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 36 A 9.20 5.21 1.29 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 0.00 0.00 37 V 8.81 5.21 2.19 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 0.89 0.00 0.00 0.92 0.00 0.00 38 A 9.07 5.14 1.29 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 0.00 0.00 39 V 8.76 4.73 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 0.80 0.00 0.00 0.94 0.00 0.00 40 I 8.87 4.35 1.75 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.46 0.99 0.00 0.00 41 A 8.35 5.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.74 5.24 0.00 1.69 1.65 0.91 1.14 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 43 R 9.21 4.41 0.00 1.82 1.10 0.00 3.21 0.00 0.00 2.70 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.47 0.00 44 E 9.88 3.81 0.00 1.97 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 2.14 2.14 0.00 45 G 8.38 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 46 R 7.85 4.84 0.00 1.96 2.14 0.00 3.00 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 47 M 9.11 4.76 0.00 1.52 1.65 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 2.28 1.24 0.00 48 L 8.08 3.60 0.00 0.44 1.08 -0.33 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.51 5.02 0.00 3.28 2.99 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 50 V 8.88 5.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.98 0.00 0.00 51 R 8.86 5.20 0.00 1.86 1.76 0.00 3.14 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 52 Q 8.30 4.86 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 53 M 8.71 3.99 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 54 R 8.24 4.52 0.00 1.96 1.87 0.00 3.35 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 55 P 0.00 4.23 0.00 2.23 2.34 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 56 A 8.13 4.31 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.17 4.20 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 0.76 0.00 0.00 1.03 0.00 0.00 58 G 9.27 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 59 L 7.37 4.26 0.00 1.83 1.76 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.42 5.00 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 61 P 0.00 4.63 0.00 2.15 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.01 0.00 62 L 8.93 4.30 0.00 1.61 1.56 0.76 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 63 E 9.19 5.50 0.00 2.02 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 2.30 2.48 0.00 64 I 7.85 4.88 1.98 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 1.30 0.71 0.86 0.00 0.00 65 P 0.00 4.41 0.00 2.03 2.00 0.00 4.01 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 1.97 1.85 0.00 66 A 8.19 4.95 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 67 G 8.17 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 0.00 0.00 0.00 0.00 68 L 8.55 4.89 0.00 1.56 1.62 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.19 4.03 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 0.62 0.90 0.00 0.00 70 E 9.41 4.33 0.00 2.08 1.84 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 2.30 2.37 0.00 71 P 0.00 4.47 0.00 2.16 2.04 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 1.97 1.96 0.00 72 G 8.98 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 73 E 7.71 4.66 0.00 2.21 1.84 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 2.24 2.20 0.00 74 D 8.54 4.86 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.19 0.00 2.31 2.26 0.00 3.53 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.96 0.00 76 L 7.94 3.14 0.00 1.79 1.77 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.74 3.87 0.00 2.08 1.91 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 2.27 2.42 0.00 78 A 7.94 4.13 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 79 A 7.87 3.77 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 80 R 7.69 3.69 0.00 1.79 2.03 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 81 R 7.99 3.80 0.00 1.87 2.00 0.00 3.13 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 1.71 1.64 0.00 82 E 8.47 3.96 0.00 1.94 1.96 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 2.47 2.51 0.00 83 L 7.94 3.87 0.00 1.80 1.77 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.84 4.24 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 85 E 8.38 3.90 0.00 1.90 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 2.56 0.00 86 Q 8.31 4.29 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 87 T 7.68 4.45 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 1.09 0.00 0.00 88 G 8.56 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 89 L 7.39 5.31 0.00 1.64 1.60 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.87 4.75 0.00 3.82 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 91 G 8.14 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 0.00 0.00 0.00 0.00 92 D 9.03 4.83 0.00 2.58 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 93 L 8.50 5.18 0.00 1.51 1.63 0.70 0.89 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 94 T 8.90 4.73 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 95 Y 8.89 3.46 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 96 L 6.92 3.92 0.00 0.27 0.13 -0.31 0.38 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 97 F 5.46 4.37 0.00 2.84 2.99 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 98 S 8.76 5.39 0.00 3.65 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 99 Y 8.10 4.78 0.00 2.98 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 0.00 100 F 8.71 4.83 0.00 2.99 2.97 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 0.00 101 V 8.35 4.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.96 0.00 0.00 102 S 7.48 4.77 0.00 3.93 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 0.00 103 P 0.00 4.47 0.00 2.13 2.14 0.00 3.99 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 104 G 8.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.79 5.03 0.00 3.26 3.26 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 0.00 106 T 7.57 5.10 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 0.56 0.00 0.00 107 D 8.36 4.84 0.00 2.74 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 0.00 108 E 7.94 4.02 0.00 1.83 1.76 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 2.18 2.34 0.00 109 K 8.71 4.65 0.00 1.61 1.41 0.00 1.14 0.00 0.00 1.58 0.00 0.00 2.51 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.80 0.35 7.81 110 T 8.17 4.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 111 H 9.21 5.13 0.00 3.35 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.80 4.89 1.84 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 0.92 0.00 0.00 1.24 0.00 0.00 113 F 9.25 5.05 0.00 2.94 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 0.00 114 L 8.91 5.08 0.00 1.49 1.41 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.95 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 0.00 116 E 8.90 4.68 0.00 1.91 1.84 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 2.26 2.29 0.00 117 N 8.69 4.23 0.00 2.96 2.87 0.00 0.00 6.95 7.85 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 0.00 118 L 7.80 4.44 0.00 1.70 1.71 1.05 1.21 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 0.00 119 K 9.01 4.71 0.00 1.63 1.64 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.59 7.81 120 E 8.89 4.66 0.00 2.01 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 0.00 2.30 2.39 0.00 121 V 8.77 4.26 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 0.74 0.00 0.00 0.96 0.00 0.00 122 E 8.27 4.46 0.00 1.90 1.33 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 2.20 2.29 0.00 *131 I 8.91 4.08 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 1.24 0.48 0.91 0.00 0.00 132 E 9.14 4.38 0.00 2.02 1.96 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 2.28 2.27 0.00 133 V 8.37 4.08 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 0.63 0.00 0.00 0.89 0.00 0.00 134 V 8.99 4.40 2.19 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 1.00 0.00 0.00 0.96 0.00 0.00 135 W 8.63 4.97 0.00 3.24 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 0.00 136 M 9.46 5.01 0.00 2.32 1.99 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 2.56 2.61 0.00 137 R 8.71 4.55 0.00 1.96 2.05 0.00 3.50 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 138 P 0.00 4.53 0.00 1.68 2.11 0.00 3.01 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 0.55 1.91 0.00 139 E 8.18 4.17 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 140 E 8.13 4.04 0.00 2.19 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 2.44 2.35 0.00 141 A 8.15 3.85 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 0.00 142 L 8.33 4.20 0.00 2.02 1.96 1.08 0.78 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 0.00 143 E 8.19 4.19 0.00 2.22 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 0.00 2.31 2.23 0.00 144 R 8.33 3.87 0.00 1.89 2.01 0.00 3.07 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 145 H 8.06 4.30 0.00 2.49 3.40 0.00 5.64 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 0.00 146 Q 8.38 3.95 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.76 0.00 147 R 7.73 4.33 0.00 1.91 1.93 0.00 3.22 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 148 G 7.84 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 0.00 149 E 8.31 4.14 0.00 1.87 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 2.26 2.34 0.00 150 V 7.15 4.49 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 0.46 0.00 0.00 0.73 0.00 0.00 151 E 8.59 4.70 0.00 1.88 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 0.00 2.28 2.25 0.00 152 F 8.58 5.63 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 8.72 4.79 0.00 4.02 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 0.00 154 A 8.80 4.00 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 0.00 155 T 8.11 4.03 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 156 G 8.29 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 0.00 157 L 7.78 3.09 0.00 1.31 1.58 0.52 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.97 3.63 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 1.13 0.00 0.00 0.60 0.00 0.00 159 G 8.25 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.92 3.82 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 1.16 0.00 0.00 1.23 0.00 0.00 161 L 8.35 4.06 0.00 1.70 1.67 0.83 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 0.00 162 Y 8.66 4.16 0.00 3.42 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 0.00 163 Y 8.44 4.09 0.00 3.22 3.30 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 0.00 164 H 8.12 3.73 0.00 3.29 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.54 3.73 0.45 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 0.00 166 F 7.65 4.74 0.00 2.32 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 0.00 167 L 7.80 4.59 0.00 1.67 1.77 1.29 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.51 4.05 0.00 1.54 1.66 0.00 3.11 0.00 0.00 2.98 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.83 0.00 * Residues marked with a * may have inaccurate shift predictions.