NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 P 4.1574 0.0000 0.0000 61.9486 32.8379 175.7547 32 A 3.9672 8.4875 127.4056 53.9736 18.3274 172.7138 33 V 4.3777 8.1954 114.4014 60.1384 35.3498 171.8085 34 P 4.3355 0.0000 0.0000 62.4916 31.3209 175.8235 35 A 4.2720 7.9418 123.1742 51.2259 21.6707 175.3566 36 V 4.6060 7.9920 114.4164 59.6959 34.5001 175.1264 37 F 4.8522 8.9107 121.5818 55.7597 41.4812 174.5826 38 L 5.0494 8.5168 122.7643 52.7039 44.1217 175.9710 *40 K 4.1640 8.5361 123.4623 56.1931 33.1741 175.6214 41 T 4.2273 9.0958 123.9789 63.3820 69.0483 175.1867 42 I 3.6289 8.6765 124.0363 64.0974 38.1653 176.6555 43 E 4.3306 8.2188 118.2443 56.1399 29.2877 177.7339 44 G 4.0029 8.2143 109.7076 45.0668 0.0000 174.2124 45 E 4.1273 7.8698 120.6271 56.4537 31.0894 175.2672 46 D 5.1275 8.6281 125.5444 53.6407 41.6370 175.8322 47 I 4.8383 8.4798 124.1158 59.4137 40.3853 174.8865 48 S 5.7073 8.4576 117.6255 55.9915 67.3251 173.1660 49 I 4.8714 8.2090 120.5376 59.3316 40.5346 173.3779 50 P 4.8864 0.0000 0.0000 62.1048 32.9087 175.3035 51 N 4.7595 8.4284 117.1877 50.8780 39.3864 175.4811 52 K 3.6016 9.0467 123.0054 58.4303 32.6963 176.6803 53 G 4.0506 8.8084 116.4313 45.6020 0.0000 171.9678 54 Q 4.6016 7.3153 114.9260 54.8391 32.3228 173.8887 55 K 4.5333 8.5613 125.9865 56.4548 34.2034 175.5853 56 T 5.1709 8.7910 121.0849 61.9267 72.4821 172.9560 57 I 4.9587 9.1352 127.7413 60.0361 38.9462 174.2941 58 L 5.0626 8.8576 130.4650 53.6295 43.9431 174.5218 59 H 5.4004 8.8161 125.8966 54.3691 32.9630 171.8779 60 F 5.3578 8.8566 124.3645 55.5937 41.6687 174.6687 61 W 4.8976 8.2736 119.1365 56.0339 31.7975 172.8920 62 T 4.6568 8.0758 109.7109 59.6037 70.9738 174.3028 63 S 3.6974 8.9606 117.5343 60.2272 63.1579 175.5278 64 W 4.4308 7.4232 116.4314 57.6219 28.8655 176.2018 65 C 3.6567 6.6992 119.4695 58.8608 31.3948 171.8607 66 P 4.2900 0.0000 0.0000 65.5522 30.8401 176.9538 67 P 4.2764 0.0000 0.0000 65.4936 31.2580 178.6360 68 C 4.1997 7.9316 115.3598 62.5040 27.9650 175.4282 69 K 3.9778 8.0994 120.6906 59.6269 31.8925 178.3650 70 K 4.2087 7.6355 115.7449 58.4098 32.7380 177.6193 71 E 4.2663 7.6992 119.1635 57.8958 29.8306 177.6290 72 L 3.9142 7.9377 119.4389 57.5032 41.5800 177.6185 73 P 4.3728 0.0000 0.0000 65.3038 31.2367 178.4183 74 Q 3.9015 7.9749 118.8239 59.1995 28.9345 178.2668 75 F 3.8670 8.1060 118.3615 60.0047 38.8576 177.4955 76 Q 4.3462 8.3767 119.4320 59.3090 28.9873 177.9375 77 S 4.1040 8.4389 114.5622 61.5276 62.4227 175.7500 78 F 4.1676 8.1747 123.0692 61.6745 38.8503 176.4194 79 Y 3.7567 8.0094 117.5843 60.7858 38.6635 177.5017 80 D 4.3608 8.3350 118.9146 57.1932 41.0091 178.3109 81 A 3.9795 7.9620 120.2342 52.6442 19.7406 176.7878 82 H 3.5754 7.3101 115.1475 56.5972 28.5203 172.3549 83 P 4.3370 0.0000 0.0000 64.7430 32.0247 177.3696 84 S 4.7334 7.4877 109.7991 56.5075 65.1204 172.9963 85 D 4.6965 8.6150 124.2275 54.9784 41.8568 177.2696 86 S 4.7375 7.9197 112.8390 57.9509 64.3568 173.6513 87 V 4.9104 7.6594 120.0825 61.2254 34.2939 174.1861 88 K 4.6318 9.5112 129.7994 54.5717 34.4067 174.4502 89 L 5.1743 8.8575 130.3989 54.3820 42.8931 175.8098 90 V 4.6297 8.9473 126.6205 60.1530 34.4366 174.6339 91 T 4.9877 8.5990 119.8982 61.6801 71.8724 173.1354 92 V 4.4628 9.0459 127.0581 60.9347 33.6267 173.8536 93 N 3.6879 9.0181 128.2689 52.6591 40.2129 174.8725 94 L 4.5273 8.0599 127.8306 53.1842 40.4667 177.6605 95 V 3.7303 7.5423 121.9710 63.8920 31.8929 178.7331 96 N 4.5430 8.0732 115.3860 54.7082 38.5561 175.3668 97 S 4.7632 7.9873 113.8531 58.1302 63.1350 173.4482 98 E 4.8609 7.8607 120.0928 54.1389 31.8825 175.8514 99 Q 4.0156 8.5671 121.3466 58.4570 29.0152 176.5517 100 N 4.6742 7.3600 111.5160 51.1464 39.8421 174.4032 101 Q 3.8911 8.5268 117.6940 59.3390 28.9379 177.7332 102 Q 3.9552 8.1335 120.3730 59.0164 29.0903 178.1382 103 V 3.6363 8.3063 119.4698 65.9395 31.5174 178.1897 104 V 3.6387 7.4451 117.3582 66.1157 31.4473 177.4166 105 E 3.9752 8.2995 118.5201 59.9482 29.3201 179.4166 106 D 4.3938 8.5467 118.7011 57.2996 40.8741 178.5919 107 F 4.1125 8.5140 121.1312 61.4398 39.4252 177.1469 108 I 3.6919 8.4585 119.7000 64.2289 37.0358 178.2265 109 K 3.8023 8.1520 120.0224 59.6470 31.8693 178.6249 110 A 3.9844 8.4206 119.9251 54.7870 18.3494 178.3484 111 N 4.4229 7.8072 111.9832 51.8434 39.2835 175.1740 112 K 3.6978 7.5471 118.7350 57.1351 30.3803 175.6708 113 L 4.0841 7.6262 118.0537 54.8653 41.9034 177.6349 114 T 4.2844 8.7684 120.2298 63.1208 70.4200 174.7572 115 F 2.9594 6.6122 115.7124 54.9151 38.9302 173.0009 116 P 4.8264 0.0000 0.0000 62.4858 32.3181 175.4534 117 I 5.1231 8.6867 125.0273 59.4882 40.3416 174.6257 118 V 4.6084 9.2663 127.8186 61.0021 34.1609 174.1574 119 L 4.5890 8.3513 127.3636 53.0657 42.2066 177.4714 120 D 4.6319 8.5044 127.4114 53.2847 39.8197 176.9943 121 S 4.1527 7.8503 117.9705 61.1447 63.5672 176.1212 122 K 4.1943 8.0616 116.8666 56.0645 32.4916 177.4129 123 G 4.0338 7.9125 106.1292 45.3799 0.0000 174.6788 124 E 4.1774 8.1556 121.5181 59.1664 29.9598 179.5709 125 L 4.0057 8.0155 114.5691 55.6000 41.3446 178.5410 *127 K 4.1412 8.1728 121.7131 56.4746 33.8824 177.5896 128 E 3.7854 8.7602 119.6378 58.7148 29.6300 177.3129 129 Y 4.1263 7.8514 113.6760 56.8725 38.4580 175.1271 130 H 3.9900 7.3201 115.8700 56.7833 26.8190 175.8154 131 I 3.9743 7.4777 118.7215 61.1673 37.4333 176.4333 132 I 4.4781 8.3452 125.0108 60.9811 39.5118 175.8509 133 T 4.7486 7.7308 115.6193 61.3875 71.7757 173.1204 134 I 4.7427 7.8835 116.7889 58.3758 40.8695 173.3218 135 P 4.8608 0.0000 0.0000 62.4460 32.8845 175.3144 136 T 5.1164 8.3750 117.7370 62.0946 72.9446 173.0464 137 S 5.3352 9.2169 121.2660 56.8536 67.3126 173.0943 138 F 5.3996 9.4774 121.3777 55.6504 43.2898 173.8027 139 L 4.8973 8.4779 124.1364 53.5506 43.6353 175.0299 140 L 5.3042 9.0426 127.2625 53.0608 44.7646 176.9004 141 N 5.0901 8.5559 120.1069 51.6835 39.1721 175.5945 142 E 4.1750 8.6767 116.5884 58.8443 29.4616 178.0386 143 K 4.2677 8.2456 116.3255 55.8472 32.5488 177.2315 144 G 4.0050 8.3337 107.4980 45.4967 0.0000 173.8315 145 E 4.1435 8.3970 119.9374 55.7208 30.1425 176.2704 146 I 4.5000 8.1695 123.8359 60.9976 37.3730 175.4887 147 E 4.2942 9.2885 126.5346 58.1430 30.2422 177.5562 148 K 4.6573 7.6050 116.9772 54.6773 36.4869 175.5478 149 T 5.0345 8.5938 119.0312 61.6690 72.0967 173.2095 150 K 4.5520 9.4498 127.2083 54.8107 35.2141 174.6195 151 I 4.5821 8.4023 128.8834 61.1285 38.4420 175.8153 152 G 3.7899 9.0655 113.5355 43.7265 0.0000 170.8100 153 P 4.7814 0.0000 0.0000 61.7600 32.1741 176.4071 *155 T 3.9299 8.0637 108.0104 61.6125 70.8867 174.3465 156 A 3.7097 8.1485 123.0442 55.2010 18.2182 179.9491 157 E 3.8354 7.8438 117.5097 59.4463 29.8444 178.7762 158 Q 3.7688 7.7231 118.0134 58.6148 28.4107 178.6645 159 L 3.2553 7.0772 119.3478 57.2590 41.7291 179.0900 160 K 4.2380 7.7625 119.6115 59.5012 32.1520 178.4409 161 E 4.4117 8.1669 120.9813 58.6500 29.3396 178.8291 162 W 4.5200 7.9931 117.8492 59.7231 29.0896 178.1196 163 T 4.2645 7.8787 115.2146 65.8902 68.1670 174.4697 164 E 4.1988 8.2852 125.0878 56.5739 29.5988 176.3867 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 31 P 0.00 4.16 0.00 1.84 1.37 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 32 A 8.49 3.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.20 4.38 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 0.78 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.34 0.00 2.04 1.95 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 1.99 2.04 0.00 35 A 7.94 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.99 4.61 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 0.72 0.00 0.00 0.90 0.00 0.00 37 F 8.91 4.85 0.00 3.04 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 38 L 8.52 5.05 0.00 1.53 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.54 4.16 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.67 7.81 41 T 9.10 4.23 4.51 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 1.31 0.00 0.00 42 I 8.68 3.63 2.05 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 1.32 0.63 0.91 0.00 0.00 43 E 8.22 4.33 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 44 G 8.21 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 45 E 7.87 4.13 0.00 2.10 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 2.42 2.38 0.00 46 D 8.63 5.13 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.48 4.84 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 1.45 0.54 0.96 0.00 0.00 48 S 8.46 5.71 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.21 4.87 2.16 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 1.45 1.07 1.00 0.00 0.00 50 P 0.00 4.89 0.00 2.11 2.15 0.00 3.57 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 2.04 2.21 0.00 51 N 8.43 4.76 0.00 2.82 2.83 0.00 0.00 6.86 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 52 K 9.05 3.60 0.00 1.73 1.80 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 53 G 8.81 4.05 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 0.00 0.00 0.00 54 Q 7.32 4.60 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 55 K 8.56 4.53 0.00 2.09 1.69 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.61 1.41 7.81 56 T 8.79 5.17 4.31 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 1.34 0.00 0.00 57 I 9.14 4.96 2.13 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 1.41 0.88 1.26 0.00 0.00 58 L 8.86 5.06 0.00 1.78 1.67 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 59 H 8.82 5.40 0.00 3.12 2.80 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.86 5.36 0.00 3.04 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 61 W 8.27 4.90 0.00 3.33 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 62 T 8.08 4.66 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 0.98 0.00 0.00 63 S 8.96 3.70 0.00 2.72 3.15 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 64 W 7.42 4.43 0.00 3.54 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 65 C 6.70 3.66 0.00 2.17 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 66 P 0.00 4.29 0.00 2.23 2.14 0.00 3.68 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 67 P 0.00 4.28 0.00 2.14 2.09 0.00 3.55 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 2.09 2.17 0.00 68 C 7.93 4.20 0.00 3.15 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 69 K 8.10 3.98 0.00 2.00 2.04 0.00 2.01 0.00 0.00 1.88 0.00 0.00 3.50 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.76 7.81 70 K 7.64 4.21 0.00 1.93 1.94 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.44 7.81 71 E 7.70 4.27 0.00 2.22 2.16 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 2.44 2.36 0.00 72 L 7.94 3.91 0.00 1.94 1.71 0.22 0.59 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 73 P 0.00 4.37 0.00 2.16 2.11 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 74 Q 7.97 3.90 0.00 2.25 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 75 F 8.11 3.87 0.00 2.63 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 0.00 0.00 0.00 0.00 76 Q 8.38 4.35 0.00 2.49 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 77 S 8.44 4.10 0.00 3.92 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.17 4.17 0.00 2.94 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 79 Y 8.01 3.76 0.00 3.14 3.33 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 80 D 8.33 4.36 0.00 2.92 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 81 A 7.96 3.98 1.31 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 82 H 7.31 3.58 0.00 2.91 3.13 0.00 5.96 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.34 0.00 2.14 2.13 0.00 3.16 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.08 0.00 84 S 7.49 4.73 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.61 4.70 0.00 2.71 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 86 S 7.92 4.74 0.00 3.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.66 4.91 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 0.98 0.00 0.00 1.01 0.00 0.00 88 K 9.51 4.63 0.00 1.97 1.72 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.57 7.81 89 L 8.86 5.17 0.00 2.07 1.87 1.31 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.95 4.63 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 0.76 0.00 0.00 0.89 0.00 0.00 91 T 8.60 4.99 4.84 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 1.84 0.00 0.00 92 V 9.05 4.46 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.36 0.00 0.00 93 N 9.02 3.69 0.00 1.85 2.25 0.00 0.00 6.78 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 94 L 8.06 4.53 0.00 1.61 1.55 0.89 0.69 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 95 V 7.54 3.73 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 0.83 0.00 0.00 0.89 0.00 0.00 96 N 8.07 4.54 0.00 2.74 2.91 0.00 0.00 6.82 7.57 0.00 0.00 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 S 7.99 4.76 0.00 4.11 4.17 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 98 E 7.86 4.86 0.00 2.08 1.88 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 2.40 2.38 0.00 99 Q 8.57 4.02 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 100 N 7.36 4.67 0.00 2.93 2.89 0.00 0.00 5.74 7.44 0.00 0.00 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 Q 8.53 3.89 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.94 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 102 Q 8.13 3.96 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 103 V 8.31 3.64 2.28 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 1.01 0.00 0.00 1.00 0.00 0.00 104 V 7.45 3.64 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 1.02 0.00 0.00 0.95 0.00 0.00 105 E 8.30 3.98 0.00 2.31 2.06 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 2.36 2.46 0.00 106 D 8.55 4.39 0.00 2.91 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 0.00 107 F 8.51 4.11 0.00 3.33 3.36 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 0.00 108 I 8.46 3.69 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.94 0.86 0.00 0.00 109 K 8.15 3.80 0.00 1.96 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 110 A 8.42 3.98 1.24 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 0.00 0.00 0.00 111 N 7.81 4.42 0.00 2.26 2.54 0.00 0.00 7.19 7.15 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 0.00 112 K 7.55 3.70 0.00 1.83 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.32 7.81 113 L 7.63 4.08 0.00 1.35 0.89 0.82 0.67 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 0.00 114 T 8.77 4.28 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 1.36 0.00 0.00 115 F 6.61 2.96 0.00 2.74 2.30 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 0.00 116 P 0.00 4.83 0.00 2.26 2.09 0.00 3.89 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.04 0.00 117 I 8.69 5.12 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 1.12 0.00 0.00 118 V 9.27 4.61 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 0.91 0.00 0.00 0.94 0.00 0.00 119 L 8.35 4.59 0.00 1.51 1.54 0.84 1.03 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 0.00 120 D 8.50 4.63 0.00 2.72 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 0.00 121 S 7.85 4.15 0.00 3.90 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 0.00 122 K 8.06 4.19 0.00 1.78 1.88 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 123 G 7.91 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 0.00 124 E 8.16 4.18 0.00 2.13 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 0.00 2.47 2.39 0.00 125 L 8.02 4.01 0.00 2.18 1.97 -0.13 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *127 K 8.17 4.14 0.00 1.91 2.08 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 128 E 8.76 3.79 0.00 2.15 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 0.00 2.18 1.48 0.00 129 Y 7.85 4.13 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 7.32 3.99 0.00 3.22 3.33 0.00 5.85 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 0.00 131 I 7.48 3.97 1.58 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 0.91 -0.36 0.74 0.00 0.00 132 I 8.35 4.48 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 1.60 0.90 0.92 0.00 0.00 133 T 7.73 4.75 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 0.00 134 I 7.88 4.74 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.88 0.00 0.00 135 P 0.00 4.86 0.00 2.16 2.15 0.00 3.80 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 2.13 1.96 0.00 136 T 8.38 5.12 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 0.81 0.00 0.00 137 S 9.22 5.34 0.00 3.81 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 0.00 138 F 9.48 5.40 0.00 2.94 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 0.00 139 L 8.48 4.90 0.00 0.46 1.09 0.69 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 140 L 9.04 5.30 0.00 1.63 1.59 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.56 5.09 0.00 2.97 3.22 0.00 0.00 6.97 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 0.00 142 E 8.68 4.18 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 143 K 8.25 4.27 0.00 1.84 1.84 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.42 7.81 144 G 8.33 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 0.00 145 E 8.40 4.14 0.00 2.21 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 2.32 2.28 0.00 146 I 8.17 4.50 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.50 1.14 0.00 0.00 147 E 9.29 4.29 0.00 1.73 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 2.27 2.24 0.00 148 K 7.61 4.66 0.00 0.79 1.31 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.85 0.21 7.81 149 T 8.59 5.03 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 150 K 9.45 4.55 0.00 2.00 1.64 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.30 7.81 151 I 8.40 4.58 1.87 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 1.23 0.71 0.90 0.00 0.00 152 G 9.07 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 0.00 0.00 0.00 153 P 0.00 4.78 0.00 2.01 2.02 0.00 3.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 *155 T 8.06 3.93 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 1.10 0.00 0.00 156 A 8.15 3.71 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.84 3.84 0.00 2.01 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 2.32 2.39 0.00 158 Q 7.72 3.77 0.00 1.84 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 159 L 7.08 3.26 0.00 0.79 0.13 -0.61 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.76 4.24 0.00 2.03 1.97 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.53 7.81 161 E 8.17 4.41 0.00 2.12 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 2.52 2.38 0.00 162 W 7.99 4.52 0.00 3.36 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 T 7.88 4.26 4.54 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 1.28 0.00 0.00 164 E 8.29 4.20 0.00 2.22 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 2.35 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.