NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.5993 8.1933 116.8251 58.3290 64.4765 174.6492 10 Q 3.7432 8.5663 122.1023 57.8111 28.4953 177.3373 11 K 3.9034 8.4226 122.3359 59.4259 32.7636 178.2088 12 A 4.0497 7.9925 120.5290 55.2901 18.3993 179.4916 13 L 3.9587 7.7035 117.2009 57.5155 41.6953 179.3554 14 L 3.8625 8.2089 120.6995 58.2777 42.0675 179.0408 15 L 4.0170 8.3002 119.2785 57.7750 41.5071 179.2612 16 E 4.0451 8.2970 119.2918 59.0435 29.6832 178.2827 17 L 3.5435 8.5558 120.7557 57.9063 42.1091 178.5374 18 K 3.8616 8.1100 119.4566 59.8164 32.0206 178.8926 19 G 3.7080 8.1191 105.5038 47.5997 0.0000 175.0620 20 L 4.2887 7.9364 120.2004 56.4656 41.7334 178.5730 21 Q 4.1710 7.8811 116.7803 57.5343 28.9759 177.3133 22 E 4.4423 8.1704 119.1365 57.1920 30.8253 176.3584 23 E 4.6037 7.6339 117.9029 53.1972 30.1970 173.4458 24 P 4.7201 0.0000 0.0000 61.5077 32.4767 176.5135 25 V 3.8059 8.2530 121.0227 62.0609 32.1582 174.8979 26 E 4.0514 8.8247 128.1518 58.8903 29.6035 176.2879 27 G 4.1083 10.3711 114.7211 45.0789 0.0000 171.5858 28 F 5.4225 8.1529 117.2765 55.8704 43.1650 174.1997 29 R 4.7413 9.3578 122.7265 54.4992 32.9281 174.6283 30 V 5.0295 8.6421 124.4547 61.4299 33.4569 174.6873 31 T 4.6860 8.6540 116.6054 59.7609 72.8132 172.7503 32 L 4.3070 8.1271 121.6475 54.2675 42.2731 177.5735 33 V 3.5763 8.3913 123.6508 65.2755 31.9306 175.6094 34 D 4.8452 7.8113 121.8410 51.9310 42.1429 176.3915 35 E 3.8965 9.0039 125.5281 58.2974 29.4641 177.6497 36 G 3.8736 8.0769 107.5848 45.4262 0.0000 173.4897 37 D 4.6894 8.7703 120.4132 52.1011 42.1663 175.8200 38 L 4.0924 8.4246 126.2966 56.7736 42.0541 177.9603 39 Y 4.5152 8.3228 116.1334 59.1548 39.3475 174.7725 40 N 5.6417 8.2169 117.9567 51.2461 41.3481 173.8574 41 W 5.1531 9.5765 123.7067 54.8576 33.4214 173.9427 42 E 5.0943 9.1575 123.5148 54.5064 31.8699 174.6113 43 V 5.0672 8.8018 126.4538 61.1509 34.3818 173.9228 44 A 4.9890 9.1494 130.1758 50.8590 21.0451 175.9186 45 I 4.5058 8.5247 122.5922 59.5002 40.7636 174.5984 46 F 4.8930 8.8920 127.5960 55.4624 39.5548 176.4739 47 G 4.0340 8.8692 112.2512 45.9927 0.0000 170.8206 48 P 4.7387 0.0000 0.0000 62.0138 31.8780 175.7890 49 P 4.4445 0.0000 0.0000 64.9347 31.4044 176.6686 50 N 4.9798 8.1698 114.3553 52.9169 39.5896 173.8181 51 T 4.6304 7.7627 110.0724 60.0764 71.1541 174.2678 52 Y 4.2799 8.5572 116.9973 59.4405 38.0206 176.1601 53 Y 4.5682 8.1208 118.2108 58.2838 38.7452 175.4661 54 E 4.4212 7.1718 117.9188 57.3697 29.7070 177.6121 55 G 4.0000 9.1375 111.2951 45.0522 0.0000 173.7576 56 G 3.4930 8.0300 107.2512 46.1763 0.0000 172.7402 57 Y 4.6948 7.6319 121.7694 55.6786 40.8909 174.2655 58 F 4.8908 8.8092 126.2070 55.3528 42.2699 174.8092 59 K 4.9752 9.1198 123.1705 54.6932 35.0296 174.7619 60 A 5.0324 8.8573 127.2793 50.5183 23.3875 174.5656 61 R 4.9729 8.5164 116.8724 54.4317 34.6652 174.9241 62 L 4.8589 8.9249 121.3784 52.7033 45.4482 175.4796 63 K 4.8685 8.1072 123.2006 54.6182 35.1867 174.6516 64 F 5.0675 9.0649 126.3624 55.0091 41.3238 174.1569 65 P 4.5874 0.0000 0.0000 61.9377 31.9767 177.4229 66 I 3.7582 8.1726 112.8275 62.7493 37.8294 176.3449 67 D 4.9257 8.0103 120.1577 52.9672 39.6835 175.0786 68 Y 4.5909 7.7853 120.6687 58.3333 39.0279 174.1456 69 P 3.5219 0.0000 0.0000 62.6479 31.4792 176.4091 70 Y 4.1442 8.1051 122.6433 60.1993 38.8411 176.5576 71 S 4.7612 7.8380 114.1208 55.6761 65.8982 172.0310 72 P 4.6283 0.0000 0.0000 61.5767 32.0411 173.9810 73 P 4.5771 0.0000 0.0000 62.6017 33.0542 174.5924 74 A 4.7074 8.7767 121.2978 50.1942 21.4612 175.6508 75 F 5.0402 8.5395 123.7715 56.3802 42.6616 174.2378 76 R 4.8885 7.1259 124.8590 54.9900 34.1090 173.9079 77 F 4.3529 9.4758 126.3892 57.7071 39.6307 176.6273 78 L 4.0235 8.9684 124.5403 57.7784 41.9336 178.2752 79 T 3.9708 7.9137 113.6544 63.6236 68.8636 174.0255 80 K 4.2050 8.5518 125.4007 56.5550 32.7612 176.4359 81 M 4.6482 8.2933 122.2340 53.0716 34.8736 174.8251 82 W 4.4542 9.4959 135.0000 57.2804 30.6946 174.9078 83 H 4.5750 7.9705 123.2263 54.4329 32.4606 172.2997 84 P 4.4597 0.0000 0.0000 64.6118 31.2238 177.3465 85 N 4.8042 8.1841 111.4144 52.5966 38.9497 174.1101 86 I 4.6296 7.0858 119.4059 59.5606 39.9379 175.4010 87 Y 4.3479 8.7152 122.9949 56.9889 38.6976 176.3842 88 E 4.1052 8.8134 121.8922 59.3416 29.8853 178.1687 89 T 3.9902 7.9438 108.0940 62.9820 69.2444 175.1094 90 G 4.5793 8.2492 108.9205 45.8431 0.0000 173.2641 91 D 4.9660 8.0877 120.1656 54.6355 41.9492 175.4778 92 V 4.7673 8.3601 122.7950 60.8745 33.5806 175.0885 93 C 4.1003 9.0545 124.9019 60.6365 28.6601 175.0335 94 I 3.6898 8.6568 122.8553 63.9605 37.2142 178.1772 95 S 4.3247 8.1459 114.7924 60.5886 62.5877 175.5875 96 I 4.0425 7.3165 115.1285 62.1833 37.9127 176.9856 97 L 4.3105 7.6218 119.3220 55.0900 43.5414 175.9729 98 H 4.7870 8.1251 117.7381 53.6966 29.3237 170.6500 99 P 4.7379 0.0000 0.0000 60.1626 32.5595 174.7868 100 P 4.4402 0.0000 0.0000 63.2822 32.6521 174.5238 101 V 4.2646 7.4691 120.3670 62.5033 31.4134 178.5043 *118 Q 4.1870 8.5838 114.8564 55.0497 30.7241 174.3197 119 N 4.2799 8.7314 119.7989 57.0962 38.6784 177.7591 120 V 3.6060 8.3739 119.0232 65.8704 31.5500 177.8268 121 R 3.8000 8.0634 117.9712 59.9519 29.9028 178.1353 122 T 3.7718 7.8320 112.4380 65.0891 67.3422 175.9251 123 I 3.7289 7.8665 121.6953 64.4366 36.7463 178.1677 124 L 3.5491 8.1410 119.9242 57.8336 41.2488 179.7485 125 L 3.9335 7.9109 118.7750 57.8522 41.5157 179.7558 126 S 4.1021 8.1831 115.2550 61.2930 62.6363 176.8915 127 V 3.4947 7.3987 120.5822 66.0189 31.3246 177.9476 128 I 3.7995 7.5714 118.9614 64.5865 36.9471 178.2881 129 S 4.1078 7.8359 113.5073 61.4905 62.0560 176.0467 130 L 3.9889 8.2441 121.9197 57.8268 41.8440 178.5404 131 L 4.0387 7.8251 118.5003 57.6978 41.5768 178.9700 132 N 4.9853 8.1591 115.0991 54.9516 38.7876 175.4413 133 E 4.6090 8.1463 121.5174 53.5807 31.5334 173.9565 134 P 4.1883 0.0000 0.0000 62.6318 31.7698 176.2817 135 N 4.8028 8.2564 118.5179 52.2900 39.0724 173.3917 136 T 4.3495 8.3524 113.9611 61.5628 68.9156 176.0768 137 F 4.2667 8.0481 124.2480 61.2024 39.4872 176.1472 138 S 4.2733 7.5237 119.6544 55.3510 62.5822 171.0414 139 P 4.3450 0.0000 0.0000 61.4875 32.3700 177.2297 140 A 3.4002 8.3761 124.2143 54.3529 18.5063 177.2249 141 N 4.6257 8.1690 116.7033 51.5946 40.1880 175.1949 142 V 3.5939 8.2012 126.1001 65.8753 31.7729 177.3932 143 D 4.3575 8.1023 118.0310 57.4919 40.7893 178.5557 144 A 4.0364 7.7597 121.1090 54.7937 18.1018 179.7677 145 S 3.9476 7.5925 111.3448 61.5092 62.8075 176.1034 146 V 3.5972 8.4646 121.8818 66.5417 31.1530 177.9454 147 M 4.2046 8.2072 118.2679 58.4971 31.6591 178.1156 148 Y 3.5950 7.9503 119.7560 60.3381 38.8737 177.9740 149 R 3.7051 8.1041 119.6992 59.3673 30.3456 178.4464 150 K 3.9363 7.8787 117.7814 59.4476 31.9440 178.9662 151 W 4.3354 8.2217 127.9434 59.3776 30.2873 177.7394 152 K 3.7579 6.9144 115.8910 58.5611 32.4042 178.1225 153 E 3.9641 8.3373 117.8980 57.7279 29.7470 177.5683 154 S 4.6861 7.1684 112.0772 56.4316 65.3307 175.2508 155 K 3.9756 8.2825 124.0687 55.7096 30.2576 177.4351 156 G 3.8083 7.6820 103.8026 45.9218 0.0000 173.4505 157 K 4.0276 7.9615 120.4571 58.3387 32.3751 176.5214 158 D 4.6499 7.7522 118.6603 53.3903 40.3043 176.5742 159 R 4.3113 8.4215 125.5516 56.6612 30.2971 177.7618 160 E 3.8390 7.9607 119.6112 59.6168 29.3262 178.1195 161 Y 4.0469 7.8832 118.7918 61.0507 38.9134 177.8491 162 T 3.0755 7.2365 116.0681 66.2310 68.3770 176.2790 163 D 4.2500 8.1880 121.3945 57.1438 40.7947 178.9160 164 I 3.5036 7.2392 120.3808 64.2118 36.8977 178.0975 165 I 3.3844 6.7029 119.4037 64.5860 36.8479 178.3035 166 R 4.1833 7.4811 117.8130 59.3252 29.9845 179.0589 167 K 3.8377 7.9623 118.0182 59.7681 31.8432 179.4276 168 Q 3.9838 8.2860 117.0626 58.8605 28.8883 178.2303 169 V 3.8320 8.7793 120.7565 66.2576 31.6363 177.9055 170 L 4.2723 8.2493 118.8116 58.0018 40.7320 178.9588 171 G 3.7620 8.2259 107.1765 47.8820 0.0000 175.2151 172 T 4.7957 7.5983 111.8537 62.9105 68.5443 176.7675 173 K 3.9076 7.6990 121.4759 59.5408 32.5323 178.4598 174 V 3.7550 7.3170 117.1941 66.5572 31.1444 177.8272 175 D 4.4388 8.2632 117.4287 56.4543 41.2148 177.1125 176 A 4.4394 7.9581 121.3364 51.5555 18.2616 177.2481 177 E 4.4956 7.7153 119.8608 57.6764 34.0375 177.8092 178 R 4.0531 7.9881 118.1774 58.6052 30.1640 175.7757 179 D 4.5513 8.3528 114.7346 54.8550 41.1495 175.9180 180 G 3.5211 8.7819 105.5450 43.1225 0.0000 173.6172 181 V 3.6308 8.1948 119.6836 63.0866 32.1012 171.5780 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 9 S 8.19 4.60 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.57 3.74 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 11 K 8.42 3.90 0.00 1.83 1.82 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 12 A 7.99 4.05 1.42 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 13 L 7.70 3.96 0.00 1.52 1.64 0.37 -1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.21 3.86 0.00 2.02 1.73 0.86 0.67 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 15 L 8.30 4.02 0.00 2.08 1.74 0.93 0.76 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 16 E 8.30 4.05 0.00 2.40 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 2.51 2.46 0.00 17 L 8.56 3.54 0.00 1.74 1.43 0.51 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.11 3.86 0.00 1.83 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.21 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 19 G 8.12 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 0.00 0.00 0.00 20 L 7.94 4.29 0.00 2.08 1.79 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.88 4.17 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 22 E 8.17 4.44 0.00 1.99 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 2.31 2.43 0.00 23 E 7.63 4.60 0.00 1.87 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 0.00 2.24 2.25 0.00 24 P 0.00 4.72 0.00 2.10 2.06 0.00 3.75 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.06 0.00 25 V 8.25 3.81 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 0.99 0.00 0.00 0.89 0.00 0.00 26 E 8.82 4.05 0.00 2.04 1.98 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 2.35 2.35 0.00 27 G 10.37 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 0.00 0.00 0.00 28 F 8.15 5.42 0.00 3.05 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 29 R 9.36 4.74 0.00 1.92 1.94 0.00 3.31 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 30 V 8.64 5.03 2.15 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 1.07 0.00 0.00 1.18 0.00 0.00 31 T 8.65 4.69 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 1.22 0.00 0.00 32 L 8.13 4.31 0.00 1.44 1.57 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.39 3.58 2.15 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 0.75 0.00 0.00 0.99 0.00 0.00 34 D 7.81 4.85 0.00 2.71 2.54 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 0.00 0.00 0.00 0.00 35 E 9.00 3.90 0.00 2.07 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 0.00 2.27 2.31 0.00 36 G 8.08 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.77 4.69 0.00 2.74 2.71 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 38 L 8.42 4.09 0.00 1.25 1.44 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 8.32 4.52 0.00 3.22 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 40 N 8.22 5.64 0.00 2.88 2.81 0.00 0.00 6.60 7.55 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 41 W 9.58 5.15 0.00 3.26 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 42 E 9.16 5.09 0.00 2.07 1.83 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 2.26 2.25 0.00 43 V 8.80 5.07 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 1.26 0.00 0.00 1.16 0.00 0.00 44 A 9.15 4.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 4.51 2.07 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.07 0.68 0.00 0.00 46 F 8.89 4.89 0.00 2.87 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 47 G 8.87 4.03 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 0.00 0.00 0.00 48 P 0.00 4.74 0.00 2.32 2.10 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 49 P 0.00 4.44 0.00 2.07 2.16 0.00 3.68 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 2.07 2.17 0.00 50 N 8.17 4.98 0.00 2.68 2.78 0.00 0.00 6.81 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 51 T 7.76 4.63 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 52 Y 8.56 4.28 0.00 2.71 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 53 Y 8.12 4.57 0.00 3.23 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 0.00 54 E 7.17 4.42 0.00 2.11 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 0.00 2.56 2.26 0.00 55 G 9.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.03 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.63 4.69 0.00 2.56 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 4.89 0.00 2.99 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 59 K 9.12 4.98 0.00 1.55 1.54 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.26 1.16 7.81 60 A 8.86 5.03 0.42 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 61 R 8.52 4.97 0.00 1.45 1.67 0.00 3.22 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 62 L 8.92 4.86 0.00 1.42 0.68 1.00 0.30 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 63 K 8.11 4.87 0.00 1.71 1.45 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.39 7.81 64 F 9.06 5.07 0.00 2.88 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 65 P 0.00 4.59 0.00 2.52 2.04 0.00 3.93 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.18 0.00 66 I 8.17 3.76 1.75 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 1.43 0.51 0.55 0.00 0.00 67 D 8.01 4.93 0.00 2.86 2.93 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 0.00 0.00 0.00 68 Y 7.79 4.59 0.00 3.16 3.07 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 69 P 0.00 3.52 0.00 1.77 1.06 0.00 3.73 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 70 Y 8.11 4.14 0.00 2.87 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 71 S 7.84 4.76 0.00 4.07 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 72 P 0.00 4.63 0.00 2.17 2.03 0.00 3.77 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 1.98 1.93 0.00 73 P 0.00 4.58 0.00 1.42 0.93 0.00 3.76 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 1.80 1.75 0.00 74 A 8.78 4.71 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.54 5.04 0.00 2.99 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 76 R 7.13 4.89 0.00 1.72 1.49 0.00 3.12 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 0.00 77 F 9.48 4.35 0.00 3.15 3.06 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 78 L 8.97 4.02 0.00 1.74 1.72 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.91 3.97 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 1.39 0.00 0.00 80 K 8.55 4.21 0.00 1.78 1.80 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.44 7.81 81 M 8.29 4.65 0.00 1.51 1.56 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.19 0.00 82 W 9.50 4.45 0.00 3.14 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 83 H 7.97 4.57 0.00 3.05 2.92 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.46 0.00 1.99 1.93 0.00 3.31 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 1.56 1.80 0.00 85 N 8.18 4.80 0.00 2.66 2.76 0.00 0.00 6.68 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.09 4.63 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 0.99 0.00 0.00 87 Y 8.72 4.35 0.00 3.03 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 88 E 8.81 4.11 0.00 2.02 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 2.36 2.39 0.00 89 T 7.94 3.99 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 1.22 0.00 0.00 90 G 8.25 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.09 4.97 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 4.77 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 0.85 0.00 0.00 1.26 0.00 0.00 93 C 9.05 4.10 0.00 3.00 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 94 I 8.66 3.69 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.28 0.91 0.00 0.00 95 S 8.15 4.32 0.00 4.08 4.12 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 0.00 0.00 0.00 96 I 7.32 4.04 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0.00 0.00 0.00 1.66 0.99 1.01 0.00 0.00 129 S 7.84 4.11 0.00 4.07 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 0.00 130 L 8.24 3.99 0.00 1.76 1.61 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.83 4.04 0.00 1.79 1.38 0.60 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.16 4.99 0.00 2.93 3.02 0.00 0.00 6.86 7.12 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 0.00 133 E 8.15 4.61 0.00 1.97 1.95 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 2.42 2.37 0.00 134 P 0.00 4.19 0.00 0.90 1.41 0.00 3.28 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.64 0.00 135 N 8.26 4.80 0.00 2.63 2.86 0.00 0.00 7.02 7.70 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 0.00 136 T 8.35 4.35 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 1.36 0.00 0.00 137 F 8.05 4.27 0.00 2.95 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 0.00 138 S 7.52 4.27 0.00 3.18 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 4.35 0.00 2.19 1.91 0.00 3.46 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 1.90 2.01 0.00 140 A 8.38 3.40 0.15 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 0.00 141 N 8.17 4.63 0.00 2.42 2.41 0.00 0.00 6.92 7.99 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 0.00 142 V 8.20 3.59 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 0.99 0.00 0.00 0.88 0.00 0.00 143 D 8.10 4.36 0.00 3.03 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 0.00 144 A 7.76 4.04 0.36 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 0.00 145 S 7.59 3.95 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 154 S 7.17 4.69 0.00 3.98 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 0.00 155 K 8.28 3.98 0.00 1.68 1.73 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 156 G 7.68 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 K 7.96 4.03 0.00 1.77 1.90 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 158 D 7.75 4.65 0.00 2.64 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 0.00 159 R 8.42 4.31 0.00 1.92 2.12 0.00 3.27 0.00 0.00 3.31 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 160 E 7.96 3.84 0.00 2.20 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 2.27 2.29 0.00 161 Y 7.88 4.05 0.00 3.25 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.24 3.08 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 163 D 8.19 4.25 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.24 3.50 1.54 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.56 0.00 0.00 165 I 6.70 3.38 1.53 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.36 0.04 0.00 0.00 166 R 7.48 4.18 0.00 1.95 1.96 0.00 3.24 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 167 K 7.96 3.84 0.00 1.88 1.81 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.53 7.81 168 Q 8.29 3.98 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 169 V 8.78 3.83 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 1.14 0.00 0.00 1.24 0.00 0.00 170 L 8.25 4.27 0.00 1.91 1.90 0.91 0.60 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 0.00 171 G 8.23 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 0.00 172 T 7.60 4.80 4.30 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 1.17 0.00 0.00 173 K 7.70 3.91 0.00 1.85 1.91 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.48 7.81 174 V 7.32 3.76 2.25 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 1.04 0.00 0.00 0.93 0.00 0.00 175 D 8.26 4.44 0.00 3.05 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 0.00 176 A 7.96 4.44 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 E 7.72 4.50 0.00 2.05 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 2.18 2.42 0.00 178 R 7.99 4.05 0.00 2.02 2.14 0.00 3.24 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 179 D 8.35 4.55 0.00 2.72 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 0.00 180 G 8.78 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 0.00 0.00 0.00 181 V 8.19 3.63 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 0.66 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.