NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4777 8.3049 120.2709 55.3524 33.9892 173.9225 2 I 4.0606 8.4415 121.3185 58.8889 39.3815 173.7802 3 R 4.3992 8.5022 127.6622 56.0628 31.5418 174.7813 4 V 4.7655 8.7543 126.3198 61.1594 35.2513 173.5962 5 Y 5.0752 8.7418 123.5141 56.3088 41.0167 174.5204 6 I 5.0460 8.8239 124.9478 59.4261 40.5113 174.3985 7 A 5.0923 9.3690 128.6808 50.6603 20.9495 175.8101 8 L 5.1120 9.0553 122.9452 53.0371 44.7204 176.0008 9 G 4.8576 8.7178 108.8057 45.7087 0.0000 171.6402 10 S 5.0445 8.5490 115.1291 56.5315 66.0368 174.4598 11 N 5.0772 7.7972 125.7033 51.3034 37.0260 174.8882 12 L 4.1509 7.2409 118.2848 55.0541 42.6136 177.3812 13 A 4.1866 8.5878 123.0457 55.1668 18.3830 178.0285 14 M 4.8125 7.5499 114.6502 52.5488 32.6045 173.8743 15 P 4.3142 0.0000 0.0000 63.9049 32.1467 177.8766 16 L 3.6437 7.7459 120.8280 58.5109 41.9222 178.4286 17 Q 4.0303 7.8912 119.9399 58.5528 28.9461 178.1284 18 Q 3.9163 7.8591 118.5507 59.0795 28.8959 178.7680 19 V 3.5667 7.5243 118.9885 65.8202 31.0800 178.2350 20 S 4.0541 8.1082 113.9394 61.4202 62.9046 176.3451 21 A 3.9509 8.1132 124.4601 54.5391 18.0092 179.4770 22 A 3.9094 8.1188 119.2786 55.5125 18.5389 180.0399 23 R 3.8915 8.1051 116.6015 59.2517 29.8234 179.0651 24 E 3.8613 7.8372 117.9443 59.3128 29.5280 178.2628 25 A 4.1145 8.3461 121.2388 55.2289 18.3924 179.6753 26 L 3.9639 8.3973 117.6006 57.9108 41.5501 179.5509 27 A 4.1476 7.9218 119.2219 54.4204 18.2133 178.2504 28 H 4.7723 7.4929 112.5056 54.7555 30.0798 174.8196 29 L 4.1812 7.3720 121.4575 53.5293 42.1984 175.1346 30 P 4.1846 0.0000 0.0000 64.5163 32.0971 176.3866 31 R 3.7530 8.6261 119.0595 57.1485 27.8719 175.8319 32 S 5.1071 7.6009 110.0361 56.9612 67.5255 174.0345 33 R 4.5560 9.1350 122.3366 54.3274 33.1460 174.0951 34 L 4.2427 8.7115 128.8569 55.5478 42.2252 176.1516 35 V 4.2353 8.6008 125.4628 64.5083 33.8755 174.6731 36 A 4.4533 7.3353 119.4387 51.5216 22.5567 175.0036 *38 S 4.5205 8.6003 109.6886 57.7931 64.5426 171.7269 39 P 4.4720 0.0000 0.0000 62.2511 32.0557 175.5696 40 L 4.6451 7.9406 118.8055 53.8251 43.6388 175.6337 41 Y 5.3679 9.0452 120.6085 56.2520 42.0620 174.4389 42 R 5.6023 9.7031 124.3582 55.5904 31.7926 175.2595 43 T 5.1121 9.2415 116.0244 59.7200 73.0176 172.8067 44 K 4.7973 8.6231 121.9431 54.7855 33.0043 175.4481 45 P 4.3602 0.0000 0.0000 62.4971 32.0770 176.3362 46 L 4.1930 8.0883 121.5142 55.3752 42.4326 177.3434 47 G 4.1514 8.7007 107.7762 44.7318 0.0000 172.3983 48 P 4.3687 0.0000 0.0000 64.9529 31.7621 177.0678 49 Q 4.0943 7.9863 119.8891 55.7848 29.5714 174.5515 50 D 4.7798 8.5520 124.2660 52.0859 40.4563 175.5197 51 Q 4.5770 8.2397 120.7301 53.6354 31.9181 172.3114 52 P 4.3924 0.0000 0.0000 62.4845 31.4579 176.2796 53 D 4.7531 8.5114 120.1521 54.8805 42.2775 175.3518 54 F 4.5874 9.4117 119.2592 56.2001 41.9570 174.9349 55 L 4.9778 8.9098 124.1751 53.6832 43.5589 174.8636 56 N 5.7149 9.5484 123.9804 51.7463 42.3457 173.5736 57 A 5.1215 8.7559 122.4260 50.9585 23.5073 175.1056 58 V 4.9904 8.8426 118.7604 61.3111 34.7223 175.2846 59 V 4.8393 8.8877 119.4783 59.5478 35.5828 174.1945 60 A 4.8118 8.9980 126.1902 50.2784 21.2910 175.7367 61 L 5.0156 8.5793 123.2288 53.4459 46.4729 174.4534 62 D 5.2838 9.0879 124.3513 52.9735 43.4027 175.4084 63 T 5.0978 8.7604 116.4569 61.0334 71.1920 173.9210 64 S 4.8365 8.6937 119.9442 58.3211 64.3865 174.9372 65 L 4.1831 8.0212 121.4975 53.6476 42.0556 175.9021 66 P 4.6954 0.0000 0.0000 61.0869 33.4604 175.5497 67 P 3.8781 0.0000 0.0000 66.0360 31.1237 178.4642 68 E 3.9129 8.0152 117.0717 59.3908 29.5863 178.7182 69 Q 4.0092 8.0001 117.7607 58.6314 28.7731 178.1194 70 L 4.0097 8.3472 121.9114 58.0687 42.0833 178.8086 71 L 4.0383 8.1974 121.9709 57.7878 42.0370 178.5814 72 D 4.3389 8.2819 118.8774 57.7060 40.8355 178.6992 73 H 4.1701 8.2534 116.8906 59.0558 28.5837 178.0023 74 T 3.9540 8.2597 111.9414 64.9969 68.6044 176.6399 75 Q 4.4772 8.7455 122.2634 57.9881 28.5944 178.4685 76 A 4.0133 7.9291 121.9920 55.1454 18.3889 179.7791 77 I 3.6377 7.5800 117.7873 64.5147 37.0892 178.3705 78 E 3.9213 8.2521 119.4033 59.5250 29.2839 179.3735 79 R 3.8832 8.4985 118.7961 59.5318 29.9642 178.2435 80 N 4.3103 8.3542 116.2325 56.6302 37.6303 177.5410 81 Q 4.1196 8.1724 119.5199 58.6693 28.7314 179.1618 82 G 3.6905 8.4960 107.3366 47.7174 0.0000 175.8946 83 R 3.9190 8.2594 121.2843 59.0927 29.9167 179.0622 84 V 3.6625 7.2901 116.7577 65.6678 31.4942 176.7291 85 R 4.4260 7.3388 116.0122 54.7800 30.1693 176.0819 86 K 3.7685 8.3000 116.6236 56.3362 30.2972 175.0981 87 E 3.8012 7.9485 117.4125 57.1012 30.0423 176.1385 88 Q 4.3827 8.4327 124.8798 54.8052 30.0882 175.8714 89 R 3.7276 8.6585 122.7932 58.8353 30.3298 177.3420 90 W 4.6131 7.3782 118.6683 53.3864 27.7374 175.2099 91 G 4.0093 7.4735 107.8210 44.6325 0.0000 168.6859 92 P 4.2697 0.0000 0.0000 62.8878 31.9907 175.8663 93 R 4.4951 9.6358 123.3683 55.4984 30.9387 177.1799 94 T 3.7665 9.3070 123.6394 65.9210 68.6884 174.5531 95 L 4.6368 7.4033 120.5167 54.0083 45.4681 173.2039 96 D 5.0090 9.4844 126.4417 52.5324 44.0740 174.2356 97 L 4.8972 9.6117 127.1926 53.4544 43.2685 175.5466 98 D 4.9730 8.8765 124.9180 52.4326 43.3836 176.2129 99 I 4.2896 8.4315 124.4339 61.3968 37.1461 175.8194 100 M 4.3670 9.4258 128.7854 57.9876 33.0450 176.8798 101 L 5.0522 7.9501 116.6983 53.4670 46.7943 174.9703 102 Y 4.7169 8.5912 122.9501 56.0329 40.1856 175.7926 103 G 3.9090 8.7984 120.2222 46.9251 0.0000 172.4085 104 D 5.0131 8.7274 120.9515 54.1852 41.6115 176.0037 105 Q 4.5377 7.9292 117.5567 54.5930 30.4769 175.5773 106 V 4.4758 8.2277 120.3115 61.6219 32.9982 174.6763 107 I 4.4610 8.8060 130.0251 59.6195 39.4815 175.4346 108 K 4.9203 8.5968 125.9042 55.4039 33.8824 174.9740 109 T 4.7105 8.9085 116.8036 59.6497 71.7676 174.3698 110 D 4.4675 8.7285 119.3779 55.7025 39.5203 176.8564 111 R 4.5907 7.3484 116.6746 55.7028 32.1355 175.3954 112 L 4.9071 7.9231 117.5358 53.2563 46.5287 175.8183 113 T 5.0119 8.4226 116.0162 60.9908 69.9449 172.8839 114 I 4.8111 8.9105 130.1366 58.6360 40.9826 173.7305 115 P 5.4289 0.0000 0.0000 62.1977 32.3320 175.6553 116 H 4.2855 8.9367 122.2004 56.7445 30.1123 175.4706 117 Y 4.1547 8.8451 123.7850 59.7692 37.8126 177.4666 118 G 3.6098 6.8550 106.3718 44.5904 0.0000 174.4731 119 L 3.6706 7.8071 123.5348 58.1675 41.8686 179.1366 120 K 4.0912 7.6936 112.9436 57.3062 31.8063 177.0715 121 A 4.4915 7.8348 120.0799 51.2880 20.3587 176.1839 122 R 4.0529 7.3486 116.5872 53.6368 31.0072 177.0326 123 E 4.0976 8.4353 122.7178 59.0701 29.7876 178.6750 124 F 4.4936 7.4922 112.1470 58.2509 38.7455 175.7802 125 M 4.4687 7.3189 120.5979 57.1188 33.2384 177.7897 126 L 3.9128 7.8037 118.9660 57.9591 41.8959 179.1672 127 Y 3.6769 7.9873 116.4871 60.6854 37.9975 177.0153 128 P 4.7961 0.0000 0.0000 64.9263 31.4431 178.3864 129 L 3.9802 7.9429 118.9026 58.1678 41.7811 179.0052 130 A 3.9065 7.9710 119.7610 54.9254 17.9657 179.0220 131 D 4.4945 8.0357 117.6878 56.9016 40.7372 178.0666 132 I 4.3555 7.3081 109.3332 60.7976 40.0847 175.8586 133 A 4.6851 8.0415 124.0429 50.0265 19.2012 174.8526 134 P 4.1436 0.0000 0.0000 65.1946 31.8543 177.8423 135 D 4.6407 7.8061 115.7628 53.5647 41.0355 176.1209 136 L 3.9333 7.4474 122.1893 55.0561 42.5420 175.9228 137 I 4.4770 7.6939 124.7183 59.1049 40.0884 175.7411 138 F 4.6302 8.5506 124.3128 56.5450 39.4441 174.6688 139 P 4.2691 0.0000 0.0000 65.5911 31.1584 177.1780 140 D 4.6725 8.2217 115.4524 53.0860 39.5616 176.4074 141 G 4.0709 8.3606 110.0021 45.7410 0.0000 174.2883 142 E 4.1445 8.3588 121.3236 55.7961 30.5759 176.1048 143 S 4.6606 8.2769 119.8003 57.3837 65.6680 175.1938 144 L 3.7855 8.1668 126.0438 58.4340 41.5966 179.6654 145 S 4.0238 7.8779 112.3605 61.5190 62.8234 176.0053 146 E 4.0885 7.7676 121.4390 59.3477 29.1720 178.8601 147 C 4.1461 7.9609 116.3007 62.9272 28.1349 176.0247 148 L 3.7591 7.9805 120.4679 57.9205 40.9329 179.8576 149 K 4.1381 7.6511 117.2337 58.9040 31.9839 178.8895 150 R 4.3359 7.9522 117.4889 55.8783 30.5448 176.5459 151 V 4.2647 6.6901 117.2022 60.7303 32.8422 174.9553 152 D 4.7271 8.5170 126.5501 53.4956 42.0949 176.1807 153 K 3.2728 8.5463 122.0709 57.4902 32.2361 177.1575 154 N 4.1975 9.3998 115.0325 54.1450 36.4948 175.2293 155 G 3.9137 8.3305 104.5374 44.7639 0.0000 173.8677 156 L 4.3537 7.4915 122.8181 55.3450 42.5747 176.4799 157 V 4.7797 8.7870 118.2841 59.2922 36.8270 174.5834 158 L 4.2999 8.5997 121.6315 54.5865 42.2633 177.4418 159 W 4.2625 8.5764 131.8047 57.7329 30.2747 175.7084 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 1 M 8.30 4.48 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 I 8.44 4.06 1.46 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 1.02 0.71 0.29 0.00 0.00 3 R 8.50 4.40 0.00 1.83 1.71 0.00 2.56 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.36 0.00 4 V 8.75 4.77 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 1.07 0.00 0.00 0.62 0.00 0.00 5 Y 8.74 5.08 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.82 5.05 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.14 1.00 0.00 0.00 7 A 9.37 5.09 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 8 L 9.06 5.11 0.00 1.63 1.56 1.00 0.55 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 9 G 8.72 4.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.55 5.04 0.00 3.86 3.52 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 11 N 7.80 5.08 0.00 2.26 1.42 0.00 0.00 6.97 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 12 L 7.24 4.15 0.00 1.61 1.60 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.59 4.19 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 14 M 7.55 4.81 0.00 1.99 1.98 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 2.51 2.53 0.00 15 P 0.00 4.31 0.00 1.92 2.22 0.00 3.85 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 1.47 1.82 0.00 16 L 7.75 3.64 0.00 1.66 1.68 0.84 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.89 4.03 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 18 Q 7.86 3.92 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 19 V 7.52 3.57 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 0.98 0.00 0.00 0.85 0.00 0.00 20 S 8.11 4.05 0.00 4.08 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 21 A 8.11 3.95 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 22 A 8.12 3.91 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 23 R 8.11 3.89 0.00 2.04 2.00 0.00 3.11 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 24 E 7.84 3.86 0.00 2.15 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 2.27 2.27 0.00 25 A 8.35 4.11 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 26 L 8.40 3.96 0.00 1.84 1.73 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.92 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 7.49 4.77 0.00 3.10 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.37 4.18 0.00 1.78 1.50 0.92 1.00 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 30 P 0.00 4.18 0.00 1.98 1.99 0.00 3.52 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 31 R 8.63 3.75 0.00 1.91 1.92 0.00 3.23 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 32 S 7.60 5.11 0.00 3.90 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 9.14 4.56 0.00 1.74 1.66 0.00 3.06 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 34 L 8.71 4.24 0.00 1.68 1.53 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.60 4.24 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 0.78 0.00 0.00 0.91 0.00 0.00 36 A 7.34 4.45 1.25 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 0.00 0.00 0.00 *38 S 8.60 4.52 0.00 4.07 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 39 P 0.00 4.47 0.00 1.59 1.87 0.00 3.95 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 2.08 2.11 0.00 40 L 7.94 4.65 0.00 1.57 1.48 0.80 0.63 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 41 Y 9.05 5.37 0.00 3.11 2.91 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 42 R 9.70 5.60 0.00 2.00 2.02 0.00 2.91 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 43 T 9.24 5.11 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 44 K 8.62 4.80 0.00 1.72 1.84 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 45 P 0.00 4.36 0.00 2.38 2.49 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.37 0.00 46 L 8.09 4.19 0.00 1.69 1.71 1.09 1.15 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 47 G 8.70 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 0.00 0.00 0.00 48 P 0.00 4.37 0.00 2.22 2.23 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 49 Q 7.99 4.09 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 50 D 8.55 4.78 0.00 2.84 2.69 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 51 Q 8.24 4.58 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 52 P 0.00 4.39 0.00 2.25 2.01 0.00 3.62 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 2.10 0.00 53 D 8.51 4.75 0.00 2.71 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.41 4.59 0.00 2.91 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 55 L 8.91 4.98 0.00 0.85 1.28 0.20 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.55 5.71 0.00 2.86 2.83 0.00 0.00 6.24 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 57 A 8.76 5.12 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 58 V 8.84 4.99 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 0.97 0.00 0.00 1.08 0.00 0.00 59 V 8.89 4.84 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 0.69 0.00 0.00 1.02 0.00 0.00 60 A 9.00 4.81 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 61 L 8.58 5.02 0.00 1.62 1.33 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 62 D 9.09 5.28 0.00 2.49 2.46 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 63 T 8.76 5.10 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 1.20 0.00 0.00 64 S 8.69 4.84 0.00 3.89 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 65 L 8.02 4.18 0.00 1.72 1.67 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.70 0.00 2.23 2.20 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.92 0.00 67 P 0.00 3.88 0.00 1.91 1.78 0.00 3.37 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.44 0.00 68 E 8.02 3.91 0.00 1.99 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 2.36 2.38 0.00 69 Q 8.00 4.01 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 70 L 8.35 4.01 0.00 1.93 1.96 0.98 0.67 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 71 L 8.20 4.04 0.00 1.86 1.81 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.28 4.34 0.00 2.85 2.64 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 73 H 8.25 4.17 0.00 3.48 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.26 3.95 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 1.25 0.00 0.00 75 Q 8.75 4.48 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 76 A 7.93 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.58 3.64 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 1.54 0.73 0.91 0.00 0.00 78 E 8.25 3.92 0.00 2.16 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 2.34 2.57 0.00 79 R 8.50 3.88 0.00 1.90 2.12 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 80 N 8.35 4.31 0.00 2.88 2.84 0.00 0.00 7.08 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 81 Q 8.17 4.12 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 82 G 8.50 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 83 R 8.26 3.92 0.00 1.80 2.00 0.00 3.31 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 84 V 7.29 3.66 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 0.74 0.00 0.00 0.96 0.00 0.00 85 R 7.34 4.43 0.00 2.00 1.90 0.00 3.34 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 86 K 8.30 3.77 0.00 1.78 1.83 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.50 7.81 87 E 7.95 3.80 0.00 1.90 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 2.28 2.28 0.00 88 Q 8.43 4.38 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 89 R 8.66 3.73 0.00 1.52 1.56 0.00 3.01 0.00 0.00 2.73 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 90 W 7.38 4.61 0.00 3.37 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 91 G 7.47 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 92 P 0.00 4.27 0.00 1.99 2.10 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 93 R 9.64 4.50 0.00 1.85 1.90 0.00 3.36 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 94 T 9.31 3.77 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 95 L 7.40 4.64 0.00 1.56 1.48 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 D 9.48 5.01 0.00 2.82 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 97 L 9.61 4.90 0.00 1.52 1.62 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.88 4.97 0.00 2.56 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 99 I 8.43 4.29 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.53 1.06 0.00 0.00 100 M 9.43 4.37 0.00 2.03 2.35 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.54 0.00 101 L 7.95 5.05 0.00 1.86 1.69 1.01 0.89 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 0.00 102 Y 8.59 4.72 0.00 2.97 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 0.00 103 G 8.80 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 0.00 104 D 8.73 5.01 0.00 2.69 2.70 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 0.00 105 Q 7.93 4.54 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 106 V 8.23 4.48 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 0.82 0.00 0.00 0.96 0.00 0.00 107 I 8.81 4.46 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.83 0.00 0.00 108 K 8.60 4.92 0.00 1.56 1.70 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.43 7.81 109 T 8.91 4.71 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 0.00 110 D 8.73 4.47 0.00 2.78 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 0.00 111 R 7.35 4.59 0.00 1.94 1.96 0.00 3.10 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 112 L 7.92 4.91 0.00 1.53 1.47 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.42 5.01 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 1.26 0.00 0.00 114 I 8.91 4.81 1.91 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 1.29 0.63 1.05 0.00 0.00 115 P 0.00 5.43 0.00 1.87 1.96 0.00 3.76 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 116 H 8.94 4.29 0.00 3.35 3.09 0.00 5.70 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 0.00 117 Y 8.85 4.15 0.00 3.03 3.05 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 0.00 118 G 6.86 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.81 3.67 0.00 1.75 1.41 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.69 4.09 0.00 1.60 1.65 0.00 1.28 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.68 0.88 7.81 121 A 7.83 4.49 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 0.00 122 R 7.35 4.05 0.00 1.17 0.66 0.00 2.87 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.39 0.00 123 E 8.44 4.10 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 124 F 7.49 4.49 0.00 3.21 3.21 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 0.00 125 M 7.32 4.47 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 126 L 7.80 3.91 0.00 1.61 1.54 0.88 0.87 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 0.00 127 Y 7.99 3.68 0.00 3.00 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 0.00 128 P 0.00 4.80 0.00 2.28 2.37 0.00 3.99 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.07 0.00 129 L 7.94 3.98 0.00 1.87 1.80 0.29 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.97 3.91 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 0.00 131 D 8.04 4.49 0.00 3.03 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 0.00 132 I 7.31 4.36 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.73 0.98 0.00 0.00 133 A 8.04 4.69 1.06 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 0.00 134 P 0.00 4.14 0.00 2.14 2.26 0.00 3.73 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 1.95 1.98 0.00 135 D 7.81 4.64 0.00 2.63 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 0.00 136 L 7.45 3.93 0.00 1.59 1.20 0.46 0.19 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 0.00 137 I 7.69 4.48 1.80 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 1.32 0.85 0.92 0.00 0.00 138 F 8.55 4.63 0.00 3.31 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.27 0.00 2.10 2.20 0.00 3.84 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 140 D 8.22 4.67 0.00 2.78 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 0.00 141 G 8.36 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 0.00 0.00 0.00 142 E 8.36 4.14 0.00 2.10 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 2.46 2.30 0.00 143 S 8.28 4.66 0.00 4.02 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 0.00 144 L 8.17 3.79 0.00 1.13 1.47 0.89 0.70 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 0.00 145 S 7.88 4.02 0.00 3.99 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 0.00 146 E 7.77 4.09 0.00 2.25 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 2.31 2.32 0.00 147 C 7.96 4.15 0.00 3.30 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.98 3.76 0.00 1.72 1.50 0.66 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.65 4.14 0.00 1.83 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.68 7.81 150 R 7.95 4.34 0.00 1.90 1.97 0.00 3.12 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 151 V 6.69 4.26 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 0.79 0.00 0.00 0.98 0.00 0.00 152 D 8.52 4.73 0.00 2.68 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 0.00 153 K 8.55 3.27 0.00 1.67 1.52 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.43 1.27 7.81 154 N 9.40 4.20 0.00 2.83 2.88 0.00 0.00 7.18 7.27 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 0.00 155 G 8.33 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 0.00 156 L 7.49 4.35 0.00 1.61 1.39 0.59 0.20 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 0.00 157 V 8.79 4.78 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 0.79 0.00 0.00 0.96 0.00 0.00 158 L 8.60 4.30 0.00 1.54 1.61 1.00 0.88 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 0.00 159 W 8.58 4.26 0.00 3.49 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 * Residues marked with a * may have inaccurate shift predictions.