NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0060 7.7274 119.7306 56.3259 34.2126 176.2600 2 G 3.3083 8.1895 108.3669 45.5005 0.0000 171.5365 3 I 3.8463 8.0160 118.3031 60.1084 39.9028 174.1734 4 Y 4.7805 9.1485 121.8613 60.6310 38.8346 176.1133 5 S 4.7285 7.8258 109.9880 57.4333 65.9975 174.2335 6 F 5.8181 8.0089 124.6898 56.5360 42.1347 174.1915 7 W 4.8605 9.2425 124.8229 55.0161 33.3962 174.0096 8 I 4.5082 8.4441 125.1881 59.3221 39.9216 174.6181 9 F 4.9551 8.8237 124.6815 55.3795 41.7897 174.6588 10 D 4.6906 8.9336 125.0320 54.2629 41.7355 176.4662 11 R 4.6576 8.1181 112.7446 55.4712 29.6174 176.1769 12 H 4.6600 7.6771 114.1494 55.8842 29.3201 174.7557 13 C 2.6410 7.6135 114.9318 59.8136 25.1290 172.3775 14 N 4.4988 7.2189 117.9635 52.2087 39.9611 173.2153 15 C 4.5123 8.2672 123.3092 58.0777 32.5356 173.1183 16 I 4.1249 8.1745 127.8798 62.7764 37.9484 175.9270 17 F 4.8514 7.7757 121.0309 56.5237 42.8450 173.5609 18 D 4.4004 7.1623 123.9496 51.4310 43.3301 175.0346 19 R 4.2710 6.4678 118.2226 56.4425 32.5477 172.6120 20 E 4.9423 9.8874 126.2450 56.4541 30.6819 176.7082 21 W 4.8116 8.8359 135.0000 59.6947 32.2211 175.5011 *35 K 4.9539 7.4715 118.3849 56.4800 32.7251 178.2442 36 Q 3.8840 7.9618 117.1876 58.9266 28.6782 178.1851 37 N 4.7433 8.2662 115.3481 56.0878 39.2510 176.9068 38 E 4.0998 7.9561 117.1001 59.3948 29.4246 179.1444 39 E 4.0557 7.7874 118.9643 59.4076 29.6091 178.8563 40 D 4.3572 7.9594 118.8024 57.0577 40.7582 178.6893 41 A 3.8665 7.8115 120.4225 54.8552 18.2359 179.7822 42 K 3.9893 8.0136 117.4093 59.5543 32.1138 179.5290 43 L 3.9646 7.8101 119.5950 58.7894 40.5636 178.8059 44 L 3.8251 8.0145 121.4571 57.8739 41.8827 178.2655 45 Y 3.3078 8.6188 120.6448 60.2271 38.0380 178.4956 46 G 3.3545 7.5528 106.8750 47.7682 0.0000 175.3695 47 M 4.2193 8.1573 121.1993 58.4924 32.1351 178.4663 48 I 3.7677 7.5846 119.9575 64.1351 37.3854 178.2834 49 F 4.2438 7.7911 121.8610 61.1545 39.1952 177.4854 50 S 3.7038 9.1027 114.4414 61.4619 62.8452 176.4810 51 L 3.8953 7.6706 122.6848 57.0168 41.1948 179.4344 52 R 3.7866 8.1535 119.1656 59.5687 29.9637 178.6311 53 S 3.9224 7.5607 112.5598 61.0480 62.2791 175.7906 54 I 3.5587 7.7024 121.5449 64.4722 37.4774 178.0926 55 T 3.9018 7.9479 115.9067 66.4534 68.2896 176.6183 56 Q 4.0879 7.9137 119.5761 58.8706 28.8483 178.4158 57 K 4.0904 8.0108 119.6552 58.8677 32.7669 177.8005 58 L 4.3668 7.7175 120.5812 54.3183 42.4432 176.4583 59 S 4.6942 7.3417 110.6270 56.1779 66.3731 173.1793 60 K 4.4771 9.7658 121.3882 53.8489 34.3803 176.9362 61 G 3.7580 7.7144 111.2840 44.9725 0.0000 172.2755 62 S 4.6176 8.1790 115.4987 58.0124 63.2644 175.7595 63 V 3.7292 7.7775 118.9883 64.5962 32.0435 174.7286 64 K 3.6568 7.7446 117.1131 55.7134 27.8199 174.7441 65 N 4.2247 7.8361 117.4927 53.9666 39.9345 173.2283 66 D 4.8272 8.1340 121.7602 51.7734 44.7716 175.6431 67 I 3.6519 8.1293 114.4015 61.3352 36.5513 175.4997 68 R 4.1226 7.8925 128.2510 56.8442 29.8027 175.1012 69 S 5.1877 7.9205 115.1867 56.4277 66.3852 173.1530 70 I 4.6362 8.1765 124.2279 59.6637 40.3749 174.4893 71 S 5.2284 8.8028 122.3340 57.1166 65.9905 173.1996 72 T 4.5552 8.2346 116.6446 59.8650 70.2459 173.7219 73 G 3.6290 8.6064 109.7840 47.9502 0.0000 174.5460 74 K 4.5850 7.6051 115.5503 55.4310 33.7649 174.7189 75 Y 5.0544 7.3677 116.8688 57.6631 41.1066 172.4515 76 R 4.8815 8.6682 116.7373 55.5049 33.4017 175.1779 77 V 5.3478 8.5193 118.5332 58.7304 30.5078 174.9864 78 H 4.1830 7.9973 118.5988 57.1181 29.9774 175.6222 79 T 5.2974 8.6121 119.2731 62.3827 71.9060 173.8794 80 Y 4.9490 8.6838 124.5185 57.6332 41.6541 173.0723 81 C 4.9802 8.8299 124.5129 58.1658 30.9347 174.3253 82 T 3.9764 7.8007 118.3091 63.0788 69.0255 175.4435 83 A 4.4470 8.3155 124.4640 52.4484 19.6474 177.9345 84 S 4.5213 8.1030 108.9549 57.7459 64.3512 174.0276 85 G 3.8945 8.5272 109.2072 45.7441 0.0000 172.4581 86 L 4.8902 8.3749 118.1194 53.2289 45.9871 176.4985 87 W 4.7311 9.6332 125.6005 56.4949 30.1712 175.8578 88 F 5.1128 9.5717 125.9072 56.1092 39.9622 175.2787 89 V 5.0253 9.2350 124.7167 60.1620 34.5512 174.8123 90 L 5.4712 8.8969 123.5346 54.1551 45.9834 174.1151 91 L 5.2107 9.4947 127.2813 53.5098 43.2062 176.3783 92 S 4.3152 8.8910 124.6651 57.5570 65.7925 175.3025 93 D 4.3808 8.1515 119.6158 53.4907 39.9212 174.5900 94 F 3.6320 8.2457 115.5639 59.2938 35.9842 173.8030 95 K 4.4092 7.1891 120.5815 57.3689 35.2902 176.3760 96 Q 4.1909 7.7517 120.1446 54.8416 30.1715 175.6800 97 Q 4.2000 7.8994 119.2810 54.8135 30.1220 175.0191 98 S 4.1434 8.4807 112.6786 59.5684 62.7785 174.7534 99 Y 4.2623 8.5897 125.6580 58.1923 38.3638 178.2005 100 T 3.8912 7.9127 113.1839 65.0620 68.7484 175.2960 101 Q 3.9390 7.9205 120.4235 58.5693 28.8488 178.4884 102 V 4.0009 7.7922 118.8034 66.0056 31.5699 177.6692 103 L 4.0705 8.4644 120.4008 58.2287 42.0473 178.6115 104 Q 4.4154 8.3266 119.8385 59.6384 28.9781 177.7021 105 Y 4.1442 9.1456 122.8423 60.0757 38.6168 177.9106 106 I 3.4596 8.4540 121.2020 64.4578 37.0887 177.8498 107 Y 3.9706 7.9373 120.6259 60.5076 38.1161 177.9924 108 S 3.7202 8.5402 115.5036 61.6880 63.0283 176.2198 109 H 4.0648 7.4716 119.2434 58.2602 28.1920 177.7035 110 I 3.3921 6.8064 121.4633 64.2952 36.7694 177.9898 111 Y 4.3009 7.7660 120.3677 60.7636 38.7316 177.9868 112 V 3.7802 7.1753 117.3403 65.4193 31.4619 178.2700 113 K 3.9383 7.9591 116.3500 59.8301 32.3601 178.1168 114 Y 3.9897 8.2455 114.1724 61.1249 38.0646 177.7586 115 V 3.5455 7.5912 118.5770 65.2660 31.5165 177.1436 116 S 4.7723 7.9755 114.0700 58.1572 62.9793 174.7532 117 N 4.7798 8.1615 116.1283 53.4360 40.9756 174.7984 118 N 4.6657 7.7250 116.3482 50.8424 36.6170 175.1447 119 L 4.3764 8.0531 124.2538 56.4661 40.1739 178.6461 120 L 4.1745 7.9173 122.4037 56.9876 41.8966 177.1503 121 S 4.4455 7.4278 111.8731 54.8342 63.2257 171.0886 122 P 3.8835 0.0000 0.0000 61.7413 32.4025 175.8501 123 Y 4.3319 7.9772 118.0245 57.3571 38.8738 177.1817 124 D 4.3688 9.3819 124.0844 57.0952 42.7148 179.8419 125 F 3.1594 10.4074 113.5204 57.4125 41.1604 176.8833 126 A 4.4468 8.5978 122.8268 52.2281 22.1797 176.9921 127 E 4.6789 8.3051 112.6699 56.5575 30.4426 178.9842 128 N 4.2818 8.5515 118.2852 54.8527 38.3806 175.4034 129 E 3.9424 9.4340 116.8199 57.2331 29.8895 177.4608 130 N 4.8269 8.5857 120.9722 54.1570 38.2697 175.0375 131 E 4.6029 8.1428 116.7828 56.6993 30.4349 177.7498 132 M 3.6479 8.0159 118.3258 58.2185 32.0911 178.4504 133 R 4.1021 7.2882 115.2651 58.7928 30.4446 178.3431 134 G 3.6695 8.2026 105.0125 47.9212 0.0000 174.4738 135 Q 4.0047 7.9959 118.1880 55.9570 28.5867 172.2887 136 G 3.9924 8.0049 113.1934 45.6016 0.0000 173.4056 137 T 4.6151 7.9280 119.2911 61.0742 72.3334 172.0581 138 R 4.2178 8.4441 123.1532 56.2442 29.4760 177.4533 139 K 4.0733 9.1881 119.0210 58.8340 32.7588 177.7066 140 I 3.7624 7.1548 117.8870 60.8184 37.6460 174.9510 141 T 4.3924 8.1657 120.1215 62.7134 69.9340 173.7652 142 N 3.9222 7.3392 118.0402 51.8947 37.5085 174.2353 143 R 4.0107 8.8987 125.6060 59.8433 30.0029 178.5651 144 N 4.4657 8.2249 115.4225 56.2481 38.7682 177.0270 145 F 3.7847 8.5404 122.2985 61.2331 39.4808 177.1985 146 I 4.0237 7.9968 112.5555 63.9958 37.5183 178.2502 147 S 4.1206 7.8415 116.2777 61.2820 62.9340 176.9397 148 V 3.5811 8.5774 124.4297 63.9857 31.1618 178.1996 149 L 3.8266 7.6339 120.9889 58.0025 41.7527 178.7267 150 E 4.0560 7.9652 117.2737 59.5898 29.6581 179.3364 151 S 4.2704 8.0801 115.0477 61.4891 62.6972 176.3737 152 F 4.3880 8.2826 122.5976 60.5712 39.1302 175.4102 153 L 4.4350 7.6152 116.6082 54.3181 42.0528 177.8665 154 A 4.0190 7.8773 123.2068 54.7815 17.9767 177.7487 155 P 4.4468 0.0000 0.0000 64.1548 32.3278 175.9590 156 M 4.2591 8.2891 117.7912 54.9726 30.8835 176.7326 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 7.73 5.01 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 2 G 8.19 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.02 3.85 1.72 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 1.41 0.70 0.30 0.00 0.00 4 Y 9.15 4.78 0.00 2.88 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 5 S 7.83 4.73 0.00 3.06 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 6 F 8.01 5.82 0.00 3.38 3.03 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 0.00 0.00 0.00 7 W 9.24 4.86 0.00 3.35 2.42 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 8 I 8.44 4.51 1.84 0.00 0.00 1.58 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 0.45 0.51 0.00 0.00 9 F 8.82 4.96 0.00 2.85 2.42 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 10 D 8.93 4.69 0.00 2.53 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.12 4.66 0.00 1.96 2.25 0.00 2.65 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 0.00 12 H 7.68 4.66 0.00 3.16 3.06 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.61 2.64 0.00 2.78 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 14 N 7.22 4.50 0.00 2.62 2.58 0.00 0.00 6.66 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.27 4.51 0.00 3.00 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 16 I 8.17 4.12 1.79 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 1.28 0.63 0.98 0.00 0.00 17 F 7.78 4.85 0.00 2.97 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 18 D 7.16 4.40 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 6.47 4.27 0.00 1.85 1.72 0.00 3.38 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 20 E 9.89 4.94 0.00 1.95 1.73 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 2.08 2.15 0.00 21 W 8.84 4.81 0.00 3.45 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 *35 K 7.47 4.95 0.00 1.93 1.88 0.00 1.88 0.00 0.00 1.77 0.00 0.00 3.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.61 7.81 36 Q 7.96 3.88 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 37 N 8.27 4.74 0.00 2.77 2.94 0.00 0.00 6.88 7.66 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 38 E 7.96 4.10 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 39 E 7.79 4.06 0.00 2.42 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 0.00 2.31 2.36 0.00 40 D 7.96 4.36 0.00 3.10 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 41 A 7.81 3.87 1.63 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 0.00 0.00 42 K 8.01 3.99 0.00 2.05 1.90 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.74 7.81 43 L 7.81 3.96 0.00 1.88 1.90 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.01 3.83 0.00 1.54 1.62 0.07 0.60 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 45 Y 8.62 3.31 0.00 2.66 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 46 G 7.55 3.35 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 0.00 47 M 8.16 4.22 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 48 I 7.58 3.77 1.94 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 1.62 0.76 1.27 0.00 0.00 49 F 7.79 4.24 0.00 2.28 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 50 S 9.10 3.70 0.00 3.98 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 51 L 7.67 3.90 0.00 1.82 1.71 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.15 3.79 0.00 2.02 2.01 0.00 2.96 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 53 S 7.56 3.92 0.00 3.42 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.56 1.93 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 1.47 1.12 0.85 0.00 0.00 55 T 7.95 3.90 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 1.17 0.00 0.00 56 Q 7.91 4.09 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 57 K 8.01 4.09 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.56 7.81 58 L 7.72 4.37 0.00 1.75 1.66 0.90 0.91 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 59 S 7.34 4.69 0.00 3.93 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 60 K 9.77 4.48 0.00 1.71 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.37 7.81 61 G 7.71 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.18 4.62 0.00 3.80 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 63 V 7.78 3.73 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 0.86 0.00 0.00 0.93 0.00 0.00 64 K 7.74 3.66 0.00 1.96 1.89 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.35 7.81 65 N 7.84 4.22 0.00 2.63 2.74 0.00 0.00 7.08 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.13 4.83 0.00 2.62 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.65 1.88 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 1.27 0.34 0.89 0.00 0.00 68 R 7.89 4.12 0.00 1.92 1.81 0.00 3.10 0.00 0.00 3.26 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 69 S 7.92 5.19 0.00 3.90 3.67 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 70 I 8.18 4.64 1.88 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 1.33 0.86 0.88 0.00 0.00 71 S 8.80 5.23 0.00 3.82 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.23 4.56 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 73 G 8.61 3.63 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 0.00 0.00 0.00 74 K 7.61 4.59 0.00 1.88 1.93 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 75 Y 7.37 5.05 0.00 3.33 3.25 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 76 R 8.67 4.88 0.00 1.64 1.49 0.00 2.88 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.71 0.00 77 V 8.52 5.35 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 1.11 0.00 0.00 1.06 0.00 0.00 78 H 8.00 4.18 0.00 3.21 3.40 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.61 5.30 4.66 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 1.32 0.00 0.00 80 Y 8.68 4.95 0.00 3.11 2.95 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 81 C 8.83 4.98 0.00 2.56 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 0.00 0.00 0.00 0.00 82 T 7.80 3.98 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 1.19 0.00 0.00 83 A 8.32 4.45 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 84 S 8.10 4.52 0.00 4.04 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 85 G 8.53 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 86 L 8.37 4.89 0.00 1.49 1.20 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 87 W 9.63 4.73 0.00 3.36 3.18 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 88 F 9.57 5.11 0.00 3.43 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 89 V 9.23 5.03 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.20 0.00 0.00 90 L 8.90 5.47 0.00 2.21 1.77 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.49 5.21 0.00 1.82 1.78 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.89 4.32 0.00 3.67 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 93 D 8.15 4.38 0.00 2.19 1.80 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 94 F 8.25 3.63 0.00 3.17 3.13 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 0.00 95 K 7.19 4.41 0.00 1.96 1.67 0.00 1.95 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.43 7.81 96 Q 7.75 4.19 0.00 1.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 97 Q 7.90 4.20 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.71 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 98 S 8.48 4.14 0.00 4.05 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 99 Y 8.59 4.26 0.00 2.98 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 0.00 100 T 7.91 3.89 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 1.20 0.00 0.00 101 Q 7.92 3.94 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 102 V 7.79 4.00 2.38 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 1.19 0.00 0.00 0.86 0.00 0.00 103 L 8.46 4.07 0.00 2.27 1.98 1.24 1.27 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 0.00 104 Q 8.33 4.42 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 105 Y 9.15 4.14 0.00 2.98 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 0.00 106 I 8.45 3.46 2.07 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.87 0.00 0.00 107 Y 7.94 3.97 0.00 1.43 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.54 3.72 0.00 3.89 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 0.00 109 H 7.47 4.06 0.00 1.65 2.85 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 6.81 3.39 1.68 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.56 -0.18 0.00 0.00 111 Y 7.77 4.30 0.00 3.46 3.23 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 0.00 112 V 7.18 3.78 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 1.23 0.00 0.00 0.81 0.00 0.00 113 K 7.96 3.94 0.00 1.80 1.70 0.00 2.05 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.69 7.81 114 Y 8.25 3.99 0.00 3.24 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 7.59 3.55 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 0.09 0.00 0.00 0.31 0.00 0.00 116 S 7.98 4.77 0.00 4.11 4.10 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 0.00 0.00 0.00 0.00 117 N 8.16 4.78 0.00 2.91 2.77 0.00 0.00 7.09 8.00 0.00 0.00 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 N 7.72 4.67 0.00 2.77 2.88 0.00 0.00 6.04 6.67 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 0.00 119 L 8.05 4.38 0.00 1.66 1.66 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.92 4.17 0.00 1.59 1.72 0.88 0.90 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 0.00 121 S 7.43 4.45 0.00 3.88 3.80 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 0.00 122 P 0.00 3.88 0.00 2.23 1.98 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 123 Y 7.98 4.33 0.00 3.22 3.17 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 0.00 124 D 9.38 4.37 0.00 2.81 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 0.00 125 F 10.41 3.16 0.00 3.19 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.60 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.31 4.68 0.00 1.97 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 2.29 2.28 0.00 128 N 8.55 4.28 0.00 2.88 2.95 0.00 0.00 7.15 7.66 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 0.00 129 E 9.43 3.94 0.00 2.07 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 0.00 2.32 2.47 0.00 130 N 8.59 4.83 0.00 2.68 2.79 0.00 0.00 6.77 7.66 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 0.00 131 E 8.14 4.60 0.00 1.94 2.14 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 2.14 2.32 0.00 132 M 8.02 3.65 0.00 1.63 1.89 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.25 0.00 133 R 7.29 4.10 0.00 1.67 1.81 0.00 3.21 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 134 G 8.20 3.67 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 0.00 0.00 0.00 135 Q 8.00 4.00 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 136 G 8.00 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 0.00 137 T 7.93 4.62 4.23 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 1.20 0.00 0.00 138 R 8.44 4.22 0.00 2.25 2.14 0.00 2.93 0.00 0.00 3.38 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 139 K 9.19 4.07 0.00 1.93 1.93 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 140 I 7.15 3.76 2.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.69 1.18 0.00 0.00 141 T 8.17 4.39 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 1.26 0.00 0.00 142 N 7.34 3.92 0.00 2.84 2.80 0.00 0.00 7.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.90 4.01 0.00 1.94 2.06 0.00 3.21 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 144 N 8.22 4.47 0.00 3.34 3.31 0.00 0.00 6.77 8.13 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 0.00 145 F 8.54 3.78 0.00 3.27 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 0.00 146 I 8.00 4.02 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.70 1.34 0.00 0.00 147 S 7.84 4.12 0.00 4.07 4.41 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 0.00 148 V 8.58 3.58 1.86 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 0.12 0.00 0.00 0.73 0.00 0.00 149 L 7.63 3.83 0.00 1.27 1.67 0.73 1.45 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 0.00 150 E 7.97 4.06 0.00 2.12 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 2.47 2.73 0.00 151 S 8.08 4.27 0.00 4.12 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.28 4.39 0.00 3.04 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 0.00 153 L 7.62 4.43 0.00 1.81 1.76 0.93 0.80 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 0.00 154 A 7.88 4.02 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 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.45 0.00 2.21 2.00 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 156 M 8.29 4.26 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.