NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.5108 8.1633 120.6175 55.0325 34.0800 174.4713 1 Q 4.5555 8.6995 124.6886 56.0790 29.4038 174.3841 2 G 4.2749 9.7329 110.3268 44.8353 0.0000 171.0924 3 V 4.7904 8.2907 121.3836 60.8035 33.7295 174.5370 4 N 4.8714 8.5567 124.1096 51.3536 42.1223 173.2929 5 I 4.8105 7.7904 122.9816 59.6997 40.0668 174.6006 6 Y 4.8061 9.2597 122.7437 56.3061 42.6343 173.9498 7 N 5.0560 9.0338 121.5707 52.2344 40.7184 173.9002 8 I 4.4196 8.8009 129.4704 59.6147 38.8771 175.6114 9 S 4.8715 8.7312 122.6924 57.5975 63.7440 173.3504 10 A 4.0491 9.4055 130.8775 54.1492 18.4416 177.9642 11 G 3.8948 9.5231 111.4692 45.4966 0.0000 172.7320 12 T 4.9203 7.8565 108.6426 59.7598 72.8375 172.4589 13 S 5.1928 8.5736 115.7971 56.7801 66.7111 173.3806 14 V 4.5112 9.3213 113.1069 59.5976 35.5240 174.9667 15 D 4.9620 8.7103 125.2039 53.8866 41.4090 176.1164 16 L 4.1428 8.6891 124.3364 54.3843 42.3752 178.1906 17 A 3.9349 9.1134 126.1323 53.7996 18.6811 177.5026 18 A 4.4494 7.5722 119.0790 49.7416 20.8583 174.2571 19 P 4.6045 0.0000 0.0000 64.0798 32.4189 175.9748 20 V 4.3461 8.8899 121.7505 62.2175 33.1370 174.5202 21 T 5.2511 9.5086 124.7457 59.3869 71.3750 172.4384 22 T 4.2511 8.4634 117.2363 65.6720 68.6940 175.1627 23 G 4.0176 9.7620 115.2509 45.2176 0.0000 172.6833 24 D 5.1726 8.0314 119.5436 52.9866 43.6098 175.4928 25 I 4.9038 8.5561 120.5452 59.7848 41.4989 175.0525 26 V 4.8842 8.0428 122.2029 60.7985 35.2208 173.7261 27 T 4.7665 8.5074 119.4759 61.8897 72.6238 172.7852 28 F 5.0509 8.7439 125.1406 56.0529 41.6875 174.9890 29 F 4.9504 9.1837 122.1380 55.8115 40.9818 175.0428 30 S 4.6441 9.0260 119.7560 56.2054 64.7197 175.2714 31 S 4.7356 9.1810 119.6655 60.0264 63.1610 174.5174 32 A 4.3109 7.7230 124.8770 51.0849 17.9974 178.3547 33 L 5.1161 7.4303 128.1242 56.2538 40.5222 171.1830 *42 P 4.1870 0.0000 0.0000 62.8623 32.6244 177.2583 43 N 4.5126 8.3861 114.5763 54.1019 38.5975 174.1039 44 N 5.8294 7.7220 116.3010 51.1901 41.5464 173.7506 45 T 5.0270 8.4875 120.0393 61.9194 73.0300 173.3069 46 T 5.2412 8.3730 112.3097 60.4329 72.8962 172.6068 47 L 5.1650 9.0774 122.5081 53.1878 46.0937 175.2932 48 N 5.3857 9.0049 119.5801 51.4335 43.1687 173.3541 49 L 4.8789 8.7922 123.2657 53.4071 43.6064 175.5799 50 F 5.2460 9.8224 124.1594 55.8552 41.8086 175.1962 51 A 4.9579 8.7503 123.1307 50.3162 21.3574 177.8790 52 E 3.8618 8.1697 117.1386 59.9172 29.5571 179.8329 53 N 4.5113 8.1911 111.2290 53.0834 36.7612 175.5368 54 G 3.7713 8.2686 104.9112 46.5031 0.0000 174.4572 55 A 4.3438 7.8724 122.6728 52.0816 19.3008 177.2264 56 Y 4.4061 8.7356 119.7806 56.5555 37.0996 176.2890 57 L 4.2106 8.5100 123.8001 57.2272 42.6715 177.3726 58 L 4.6120 7.9725 119.7705 53.5249 45.8367 174.2842 59 H 5.5896 9.3386 125.8772 53.6956 32.6247 171.9612 60 I 4.2999 8.5847 128.0291 59.3666 39.0973 174.8022 61 A 4.8875 8.4229 129.2247 50.0295 22.2004 174.8842 62 F 4.3953 9.7045 122.5715 56.2319 40.1345 175.1682 63 R 4.6841 8.3784 124.2378 54.8392 30.7451 177.5857 64 L 4.1593 9.1887 126.3434 56.9363 42.2391 179.1283 65 Q 4.4359 7.9983 112.4591 56.9292 28.0776 176.2756 66 E 4.5052 7.6449 114.3433 55.3451 33.0482 174.6407 67 N 4.1171 8.0724 115.0685 53.2997 37.6291 172.8338 68 V 5.4093 8.0494 117.7774 61.4547 35.8214 173.6429 69 I 4.4227 8.5311 123.3766 59.5882 39.8269 174.6067 70 I 4.7961 8.2582 126.9198 59.3597 40.3337 174.4151 71 F 5.0811 9.3467 125.5315 55.7248 41.8944 174.0512 72 N 5.5085 9.0864 120.8650 53.0391 43.2117 172.7374 73 S 5.5343 9.0006 115.3597 57.2278 67.8192 173.4488 74 R 4.4349 8.2271 119.6836 55.3021 33.3369 174.8964 75 Q 4.4949 8.5763 125.1512 54.7776 29.7806 175.2481 76 P 4.2482 0.0000 0.0000 66.0401 31.0934 177.3532 77 D 4.4398 8.0372 116.9748 54.5292 40.0774 176.6053 78 G 3.7521 7.2370 108.2487 44.6109 0.0000 170.4802 79 P 4.6222 0.0000 0.0000 60.5204 33.0458 175.5066 80 W 4.0540 8.3556 118.7659 57.5405 29.6737 176.1296 81 L 4.9671 8.2206 122.3624 53.3798 44.3308 175.9456 82 V 3.8005 8.7317 119.6650 63.9529 30.6913 176.0335 83 E 4.3420 8.7054 126.8835 56.1915 30.6318 175.0879 84 Q 4.8088 9.7389 128.0643 54.4601 31.5390 174.1405 85 R 5.2107 8.7414 124.6623 54.3786 33.1402 175.0644 86 V 4.0397 8.5162 123.1616 62.0263 34.1166 174.6123 87 S 3.7842 8.8720 118.5752 61.5232 62.8425 174.3588 88 D 4.3846 8.3783 120.6859 54.4753 44.2073 175.0768 *93 G 3.7680 8.4142 111.1038 45.7283 0.0000 171.9824 94 A 4.7133 7.7727 120.3776 49.4931 21.9235 175.3802 95 G 4.4454 8.0197 118.2747 45.4407 0.0000 170.6222 96 I 4.5704 7.9543 126.7967 61.9877 44.6418 177.0590 97 D 4.5055 7.9272 119.6301 52.7314 41.2944 176.0041 98 G 3.9880 8.5329 103.4185 45.9873 0.0000 173.3930 99 K 5.3543 7.3657 119.3827 54.2517 35.4176 174.9877 100 A 4.7154 8.1700 120.3256 51.1407 22.7302 175.6247 101 M 4.6828 8.6458 120.3104 53.9059 34.2637 175.6202 102 V 4.4874 8.3602 126.0525 61.9117 31.9766 174.7878 103 T 4.7683 8.9228 124.6904 62.2931 71.1271 174.2323 104 V 4.7915 8.8522 124.3296 61.5987 35.0158 173.7649 105 F 5.0903 9.1675 127.1117 56.2244 41.2712 174.6329 106 D 4.9567 9.2450 124.2931 53.3492 41.8757 175.8023 107 H 4.8015 8.9771 124.7583 55.8121 29.1049 176.5746 108 G 4.6818 8.2471 113.3055 45.3374 0.0000 175.1633 109 D 4.8167 7.6283 117.9611 52.7146 41.6753 174.9896 110 K 5.1033 7.7174 117.5515 55.2532 37.6149 174.4105 111 Y 5.4986 9.3163 118.4958 55.5961 41.0167 174.7932 112 Q 4.7473 9.0108 126.4324 54.9838 31.0334 174.1127 113 V 4.9877 8.6038 126.5927 61.1916 34.2608 174.3887 114 V 4.7769 8.9076 127.4790 61.3080 34.2763 174.4966 115 I 4.6289 8.5462 130.2067 60.7094 38.0541 177.6167 116 N 4.3380 9.9746 130.3484 54.7355 37.1061 176.3815 117 E 4.4862 9.3224 127.2966 56.7204 31.1204 175.0238 118 K 4.3856 7.7539 122.0944 54.7094 33.0033 175.5184 119 T 4.5151 8.5454 124.1609 63.7735 68.6967 174.4713 120 V 4.1363 8.6752 127.3849 63.5220 33.0024 176.4674 121 I 4.2991 7.4266 119.3931 58.9068 41.1711 174.5169 122 Q 4.8530 7.9678 130.2525 54.7438 27.1954 175.0889 123 Y 4.0229 7.9452 122.5839 58.5558 40.4679 176.2333 124 T 4.3419 8.0183 124.3330 62.7646 69.2308 175.0171 125 K 4.2250 8.6665 126.7972 57.3014 32.3301 177.0986 126 Q 4.5090 9.0173 121.0805 55.9530 30.2885 175.9971 127 I 4.3269 7.4352 118.6189 60.5114 40.4091 174.7482 128 S 4.4669 8.7979 122.1827 57.5301 63.9249 172.6410 129 G 4.3929 8.0165 106.8821 43.2074 0.0000 172.7912 130 L 4.6488 7.9001 121.4239 54.0429 42.1533 176.4317 131 T 4.3481 8.6704 120.2296 64.0307 69.1768 174.6759 132 S 4.7739 9.1723 120.6006 58.1618 64.6468 173.7048 133 S 5.2013 7.6981 115.5396 57.6848 67.3558 172.9460 134 L 5.8186 9.1627 121.5967 52.3268 46.1618 175.6923 135 S 5.0047 8.6474 114.9368 57.3119 67.1151 171.9544 136 Y 5.3162 8.7053 121.7177 56.0869 42.1484 173.4648 137 N 5.0151 9.4638 123.7981 51.7343 42.7939 171.9476 138 A 4.9158 7.5056 122.2713 50.6107 19.4135 177.4978 139 T 4.1828 7.6597 116.1971 63.3041 71.9490 173.9253 *147 T 4.5892 8.4356 123.5629 63.0585 71.5113 174.1348 148 V 5.0916 7.7815 120.1586 61.0569 34.5640 174.7256 149 V 4.4550 8.2876 127.3475 59.9623 33.9015 175.0461 150 E 5.1002 8.7688 122.2663 55.6302 32.0058 175.0428 151 A 5.0662 9.5119 122.9976 50.4553 22.9915 175.1968 152 V 4.8707 8.7541 122.6219 61.1348 34.6911 174.1994 153 T 4.9778 8.8610 118.5317 60.1487 71.4941 172.7884 154 Y 4.6994 8.9291 124.2238 56.7948 39.5655 174.8110 155 T 4.9669 8.1235 114.3373 59.3191 72.9805 174.9712 156 G 4.4200 8.8225 106.7239 46.7921 0.0000 175.0348 157 L 3.9541 8.6307 116.2349 56.7777 41.6192 177.0204 158 A 4.2125 7.7124 127.6802 51.8840 18.5322 176.7609 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 0 M 8.16 4.51 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 1 Q 8.70 4.56 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 2 G 9.73 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.29 4.79 1.97 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 0.54 0.00 0.00 0.86 0.00 0.00 4 N 8.56 4.87 0.00 2.64 2.13 0.00 0.00 6.49 7.03 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 5 I 7.79 4.81 1.67 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 1.19 0.39 0.81 0.00 0.00 6 Y 9.26 4.81 0.00 2.86 2.78 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 7 N 9.03 5.06 0.00 2.71 2.77 0.00 0.00 6.99 7.94 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 8 I 8.80 4.42 2.09 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.79 1.14 0.00 0.00 9 S 8.73 4.87 0.00 3.97 3.79 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 10 A 9.41 4.05 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 11 G 9.52 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 0.00 0.00 0.00 12 T 7.86 4.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 S 8.57 5.19 0.00 3.95 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 14 V 9.32 4.51 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 0.83 0.00 0.00 0.74 0.00 0.00 15 D 8.71 4.96 0.00 2.56 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 16 L 8.69 4.14 0.00 1.57 1.73 0.91 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.11 3.93 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 18 A 7.57 4.45 1.23 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 0.00 0.00 0.00 19 P 0.00 4.60 0.00 2.12 2.11 0.00 3.78 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 2.02 2.00 0.00 20 V 8.89 4.35 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 0.98 0.00 0.00 0.94 0.00 0.00 21 T 9.51 5.25 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 1.28 0.00 0.00 22 T 8.46 4.25 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 23 G 9.76 4.02 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 0.00 0.00 0.00 24 D 8.03 5.17 0.00 2.88 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 25 I 8.56 4.90 1.96 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 1.08 0.88 0.60 0.00 0.00 26 V 8.04 4.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.39 0.00 0.00 27 T 8.51 4.77 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 0.36 0.00 0.00 28 F 8.74 5.05 0.00 2.90 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 29 F 9.18 4.95 0.00 3.15 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 30 S 9.03 4.64 0.00 3.67 3.74 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 31 S 9.18 4.74 0.00 4.05 4.04 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 32 A 7.72 4.31 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 33 L 7.43 5.12 0.00 1.65 1.55 0.38 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *42 P 0.00 4.19 0.00 2.23 2.24 0.00 3.67 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 1.94 1.93 0.00 43 N 8.39 4.51 0.00 2.78 3.09 0.00 0.00 5.67 6.96 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 44 N 7.72 5.83 0.00 2.36 2.72 0.00 0.00 6.74 7.42 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 45 T 8.49 5.03 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 1.21 0.00 0.00 46 T 8.37 5.24 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 1.15 0.00 0.00 47 L 9.08 5.17 0.00 1.24 0.68 0.46 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.00 5.39 0.00 2.44 1.93 0.00 0.00 6.63 6.06 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 49 L 8.79 4.88 0.00 1.39 1.53 0.57 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.82 5.25 0.00 2.87 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 51 A 8.75 4.96 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 52 E 8.17 3.86 0.00 2.05 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 0.00 2.37 2.45 0.00 53 N 8.19 4.51 0.00 2.82 2.92 0.00 0.00 6.00 7.00 0.00 0.00 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 G 8.27 3.77 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 0.00 0.00 0.00 55 A 7.87 4.34 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 56 Y 8.74 4.41 0.00 2.69 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 57 L 8.51 4.21 0.00 1.79 2.01 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.97 4.61 0.00 1.06 0.99 0.40 0.81 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 59 H 9.34 5.59 0.00 3.68 3.45 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.58 4.30 1.69 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 1.13 0.36 0.17 0.00 0.00 61 A 8.42 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.70 4.40 0.00 2.87 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 63 R 8.38 4.68 0.00 1.73 1.94 0.00 3.00 0.00 0.00 3.48 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 64 L 9.19 4.16 0.00 1.66 1.71 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.00 4.44 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 66 E 7.64 4.51 0.00 1.88 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 2.18 2.25 0.00 67 N 8.07 4.12 0.00 2.77 2.76 0.00 0.00 6.95 7.25 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 68 V 8.05 5.41 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 0.67 0.00 0.00 0.97 0.00 0.00 69 I 8.53 4.42 1.75 0.00 0.00 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 1.13 0.89 -0.23 0.00 0.00 70 I 8.26 4.80 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.06 0.80 0.00 0.00 71 F 9.35 5.08 0.00 3.06 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 9.09 5.51 0.00 2.70 2.71 0.00 0.00 6.59 7.64 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 73 S 9.00 5.53 0.00 4.26 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 74 R 8.23 4.43 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.85 0.00 75 Q 8.58 4.49 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 76 P 0.00 4.25 0.00 2.18 2.50 0.00 3.76 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 1.99 1.99 0.00 77 D 8.04 4.44 0.00 2.79 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 0.00 78 G 7.24 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 79 P 0.00 4.62 0.00 2.19 2.03 0.00 3.73 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 1.91 1.96 0.00 80 W 8.36 4.05 0.00 3.20 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 81 L 8.22 4.97 0.00 1.90 1.69 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.73 3.80 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 0.76 0.00 0.00 0.96 0.00 0.00 83 E 8.71 4.34 0.00 2.03 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 2.31 2.29 0.00 84 Q 9.74 4.81 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 85 R 8.74 5.21 0.00 1.72 1.80 0.00 3.24 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 86 V 8.52 4.04 2.31 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 1.19 0.00 0.00 1.18 0.00 0.00 87 S 8.87 3.78 0.00 3.83 3.74 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 88 D 8.38 4.38 0.00 2.73 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 G 8.41 3.77 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 0.00 0.00 0.00 94 A 7.77 4.71 1.23 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 0.00 0.00 0.00 95 G 8.02 4.45 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 96 I 7.95 4.57 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.27 1.00 0.00 0.00 97 D 7.93 4.51 0.00 2.62 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 98 G 8.53 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 99 K 7.37 5.35 0.00 1.83 1.92 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.44 7.81 100 A 8.17 4.72 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.65 4.68 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.31 0.00 102 V 8.36 4.49 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 1.15 0.00 0.00 1.05 0.00 0.00 103 T 8.92 4.77 4.13 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 0.00 0.00 0.71 0.00 0.00 104 V 8.85 4.79 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 0.91 0.00 0.00 0.99 0.00 0.00 105 F 9.17 5.09 0.00 2.87 2.75 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 0.00 106 D 9.24 4.96 0.00 3.00 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 0.00 107 H 8.98 4.80 0.00 3.35 3.24 0.00 5.78 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 0.00 108 G 8.25 4.68 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 0.00 0.00 0.00 109 D 7.63 4.82 0.00 2.70 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 0.00 110 K 7.72 5.10 0.00 1.71 1.89 0.00 1.58 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 111 Y 9.32 5.50 0.00 3.03 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 0.00 112 Q 9.01 4.75 0.00 2.48 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 113 V 8.60 4.99 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 1.18 0.00 0.00 1.02 0.00 0.00 114 V 8.91 4.78 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 1.20 0.00 0.00 1.25 0.00 0.00 115 I 8.55 4.63 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 1.03 0.00 0.00 116 N 9.97 4.34 0.00 2.78 2.19 0.00 0.00 6.93 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 0.00 117 E 9.32 4.49 0.00 1.97 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 2.26 2.30 0.00 118 K 7.75 4.39 0.00 1.77 1.73 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.42 7.81 119 T 8.55 4.52 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 120 V 8.68 4.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.05 0.00 0.00 121 I 7.43 4.30 1.26 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.97 -0.39 0.00 0.00 122 Q 7.97 4.85 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 123 Y 7.95 4.02 0.00 2.84 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 0.00 124 T 8.02 4.34 4.02 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 1.10 0.00 0.00 125 K 8.67 4.23 0.00 1.65 1.77 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.14 1.32 7.81 126 Q 9.02 4.51 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 127 I 7.44 4.33 1.99 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 0.39 0.97 0.00 0.00 128 S 8.80 4.47 0.00 3.87 3.82 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 0.00 129 G 8.02 4.39 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 0.00 130 L 7.90 4.65 0.00 1.97 1.72 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.67 4.35 4.29 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 1.27 0.00 0.00 132 S 9.17 4.77 0.00 3.87 4.07 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 0.00 0.00 0.00 0.00 133 S 7.70 5.20 0.00 3.77 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 0.00 134 L 9.16 5.82 0.00 1.60 1.72 0.69 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.65 5.00 0.00 4.07 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 0.00 136 Y 8.71 5.32 0.00 2.84 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 0.00 137 N 9.46 5.02 0.00 2.74 2.47 0.00 0.00 6.82 7.95 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 0.00 138 A 7.51 4.92 1.22 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 0.00 0.00 139 T 7.66 4.18 4.21 0.00 0.00 0.00 0.00 0.00 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 *147 T 8.44 4.59 4.29 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 1.27 0.00 0.00 148 V 7.78 5.09 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 0.90 0.00 0.00 0.99 0.00 0.00 149 V 8.29 4.45 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 0.18 0.00 0.00 0.94 0.00 0.00 150 E 8.77 5.10 0.00 2.24 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 2.24 2.56 0.00 151 A 9.51 5.07 1.16 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 0.00 152 V 8.75 4.87 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 0.50 0.00 0.00 1.06 0.00 0.00 153 T 8.86 4.98 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 154 Y 8.93 4.70 0.00 3.00 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 0.00 155 T 8.12 4.97 4.29 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 1.30 0.00 0.00 156 G 8.82 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 0.00 157 L 8.63 3.95 0.00 1.89 1.79 1.16 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.71 4.21 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 * Residues marked with a * may have inaccurate shift predictions.