NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0274 8.3049 120.6711 55.6130 33.7513 174.3324 2 I 4.5502 8.7365 125.8764 59.1938 40.5595 173.1743 3 I 4.6422 8.0275 126.0377 59.8750 41.7373 174.6971 4 S 4.4028 7.2746 117.5565 58.7846 68.7869 174.6305 5 S 5.1451 7.7831 111.8492 57.2339 65.2967 175.8852 6 L 3.6711 9.3961 127.0036 56.7220 41.1684 178.5463 7 T 4.1137 8.7152 116.5707 66.0813 68.7447 175.3215 8 N 4.6619 7.9691 117.9481 52.6500 39.2447 173.5542 9 P 4.3724 0.0000 0.0000 65.5347 31.6653 177.4506 10 N 4.7789 7.9966 113.1320 53.1070 38.7264 176.9774 11 F 4.0474 7.7342 114.1031 58.7739 38.3676 175.7532 12 K 4.5579 7.5877 121.4102 56.0107 33.3978 175.3060 13 V 3.7340 8.6174 120.4494 64.6881 31.7406 175.3548 14 G 4.1388 9.0520 115.7428 45.4488 0.0000 173.7023 15 L 4.3691 7.2798 119.1139 53.7418 42.4859 175.5797 16 P 4.6977 0.0000 0.0000 61.8788 33.7553 177.3714 17 K 3.8930 8.5698 118.3774 59.7868 32.0050 179.6221 18 V 3.6159 7.7216 117.6649 66.0661 31.3075 178.0163 19 I 3.6371 7.6981 118.6451 64.3483 37.1134 177.9156 20 A 4.2095 8.3243 121.9742 55.5541 17.9476 179.3717 21 E 3.9450 10.6894 116.6213 59.3536 29.4118 179.4059 22 V 4.0359 7.7427 117.3422 64.9929 31.8247 177.7673 23 C 3.9825 8.9090 116.8814 62.3336 27.9765 175.5768 24 D 4.5741 8.2058 120.8810 57.5473 40.5025 177.5927 25 Y 4.3637 7.6226 118.5503 61.1997 38.3383 178.2657 26 L 3.9477 8.3514 119.8569 57.7502 41.5239 178.7028 27 N 4.6137 8.5144 114.8884 54.3674 38.9198 176.3735 28 T 4.2336 7.8222 116.5222 63.1181 68.8687 174.0263 29 L 4.6879 6.7285 119.6855 52.9482 45.7216 176.5830 30 D 4.5669 8.1839 121.3691 52.6984 39.5785 176.8184 31 L 4.0959 8.0002 122.1284 55.9797 41.8805 178.3285 32 N 4.4429 8.4896 117.4236 55.9665 38.7176 177.3214 33 A 4.0335 8.6381 120.5793 54.4712 18.6212 177.6093 34 L 4.2757 7.2606 115.9151 53.8394 42.2836 176.9226 35 E 4.0608 8.8212 123.1968 56.4147 30.0070 176.8814 36 N 4.3884 8.5552 120.3265 54.4061 39.5582 173.5220 37 G 3.6759 8.1850 105.7522 44.1050 0.0000 171.7944 38 R 4.9025 8.4495 120.3335 55.6684 30.8543 176.3932 39 H 5.1078 9.0298 123.0760 54.1732 32.0317 172.9090 40 D 5.2991 8.7455 120.6861 52.9609 42.5533 176.1751 41 I 4.2213 8.7162 122.4153 62.1637 39.4839 175.5212 42 N 5.0030 7.5605 114.9755 51.5943 42.6149 174.9107 43 D 4.4006 8.7042 119.7779 57.7358 40.9638 178.3294 44 Q 4.2557 7.9814 115.9266 57.3653 29.3682 175.6967 45 I 4.8806 7.6405 119.4285 59.5908 40.8148 174.3508 46 Y 5.4502 8.0404 124.0640 55.3309 41.9408 173.8463 47 M 5.1297 9.3065 117.6474 54.1161 36.5135 173.2696 48 N 5.4042 9.1884 122.5921 51.7235 40.9308 174.1663 49 V 4.5713 9.1133 125.0098 62.2368 34.0860 175.0062 50 M 4.5509 8.5836 122.0844 55.1468 34.4346 173.7227 51 E 4.6019 8.2980 124.6476 52.6172 29.4243 175.3230 52 P 4.5343 0.0000 0.0000 61.8222 30.9903 175.3926 *61 K 4.1082 8.4513 118.7278 57.2308 33.3337 176.2475 62 A 4.4935 8.7888 127.1313 51.7924 20.4872 175.2451 63 E 5.7101 8.3774 118.2416 55.5350 33.8299 173.4546 64 L 4.5812 8.1479 122.8679 54.2173 45.8669 173.4860 65 H 5.6575 8.2535 119.2256 53.5040 32.4251 174.2726 66 H 4.2000 9.3759 118.0484 57.4431 29.2397 176.2575 67 E 4.7154 10.7800 117.0465 56.3850 31.7481 175.7121 68 Y 5.0931 8.0444 116.4400 55.9390 41.9356 175.1759 69 L 4.6311 9.3271 124.4677 55.4848 42.9089 175.1271 70 D 5.2879 8.9861 119.9763 52.6519 44.0205 175.8859 71 V 4.5517 8.8249 122.4684 61.2478 34.0985 173.9904 72 Q 4.8139 8.9718 128.7296 54.8097 30.4222 175.3179 73 V 4.5207 8.7865 125.0200 60.6401 34.0085 174.3828 74 L 4.3652 8.3413 130.5026 55.4282 42.6916 177.0350 75 I 4.3278 8.4110 124.2637 62.6219 40.0498 175.8810 76 R 4.5603 8.8233 119.0068 55.7695 34.8510 175.1568 77 G 4.3012 8.7935 109.0841 45.8362 0.0000 173.2341 78 T 4.6655 8.0444 116.1109 62.4674 70.4454 173.9196 79 E 4.7430 9.2567 123.9221 54.9938 33.5727 173.3260 80 N 5.5711 8.8223 122.5960 51.6038 41.4672 173.4312 81 I 4.8445 8.6386 124.4498 59.4743 40.3108 174.5602 82 E 4.6434 9.4054 127.2194 55.7709 30.9098 175.8145 83 V 4.4420 8.6459 123.7372 60.9873 35.3097 174.2747 84 G 4.5034 8.3087 112.8515 44.6297 0.0000 172.2696 85 A 4.8141 9.0290 123.7368 52.0223 20.6084 177.0899 86 T 4.4735 7.6687 112.0309 62.1341 69.8472 174.0014 87 Y 4.1822 8.4456 125.3352 56.6353 39.4603 174.1718 88 P 4.4120 0.0000 0.0000 62.6847 32.1357 176.6730 89 N 4.6985 8.6543 119.2413 53.0116 37.0952 174.9683 90 L 4.1474 8.5420 125.2097 57.1550 42.2273 180.0413 91 S 4.1850 8.6485 113.1730 61.0323 62.9073 175.3558 92 K 4.2960 8.1383 117.8106 56.9781 32.1996 176.4701 93 Y 4.2067 7.8544 117.4681 57.3863 38.8229 175.4058 94 E 4.3660 8.6020 122.5024 56.2789 30.7826 175.7855 95 D 4.8225 8.5302 120.1328 53.8622 42.7715 174.7376 96 Y 4.5206 8.8984 123.9765 56.1683 40.1674 174.2809 97 N 4.4443 6.7812 125.1710 51.5555 38.7591 175.0063 98 E 3.7981 8.1729 124.9603 57.8122 30.1230 178.7117 99 A 4.0852 7.8172 121.7662 54.9765 18.7034 178.3144 100 D 4.8014 8.3195 112.4119 53.3721 41.8322 176.4709 101 D 4.4036 7.8884 118.0741 52.9139 39.5214 171.0542 102 Y 5.9324 6.1027 117.7312 57.7679 41.7524 174.4890 103 Q 4.9521 8.6562 117.2242 54.6080 33.7980 173.8762 104 L 5.9375 8.5913 120.6537 52.8111 45.8264 174.9300 105 C 4.7082 8.0879 119.3940 58.4072 34.3550 174.3183 106 A 4.1527 8.5745 126.4174 53.0175 18.7144 176.9078 107 D 4.9241 7.4994 114.7064 52.0605 43.8613 174.7836 108 I 4.4604 8.1023 125.8352 59.7990 38.9749 175.0482 109 D 4.7533 8.5990 124.0789 54.4347 42.2133 175.7559 110 D 4.4803 8.7503 119.6581 55.0832 38.6518 174.5176 111 K 4.3997 7.9958 116.0921 56.9765 33.3578 177.2341 112 F 4.9095 8.4221 115.3208 56.7030 41.2023 172.4802 113 T 4.9052 8.8948 114.1726 62.6246 72.3776 173.5161 114 V 4.3125 9.1255 127.4306 61.4005 33.4893 174.8696 115 T 4.7425 8.5031 125.6337 62.9424 69.0178 174.1315 116 M 4.4306 9.6596 128.9211 54.2572 33.6210 176.3539 117 K 4.8000 8.4611 122.5873 53.5943 35.5602 173.9918 118 P 4.3742 0.0000 0.0000 64.8536 31.7807 175.6685 119 K 4.3372 9.5324 121.0494 56.4844 31.1668 176.8238 120 M 4.5832 7.9969 118.0954 56.1311 32.8808 175.9669 121 F 5.2153 8.7798 117.1161 55.0143 41.9203 174.0829 122 A 4.5438 8.8252 121.1422 50.1552 21.9905 175.0705 123 V 4.2793 8.5007 123.7423 61.5186 33.4683 174.7178 124 F 5.4264 8.4819 126.3390 55.7362 42.0709 174.5785 125 Y 4.6436 9.7187 122.3988 56.9825 39.2930 174.0566 126 P 4.7531 0.0000 0.0000 64.4518 31.6660 176.2631 127 Y 3.3375 8.3853 119.0254 57.9708 34.9573 169.2501 128 E 4.5043 7.6938 120.3673 54.2368 29.2175 174.2183 129 P 5.1944 0.0000 0.0000 62.5459 33.0020 175.1098 130 H 4.7063 8.1314 116.6513 53.9248 32.1258 171.9918 131 K 4.5051 10.0993 123.7032 52.9091 32.5222 171.1254 132 P 4.8471 0.0000 0.0000 62.6720 29.8699 174.7101 133 C 4.6722 7.8562 114.9115 57.9575 31.8064 173.8668 134 C 4.6727 8.3054 112.3726 57.2657 31.7167 173.7567 135 V 4.0036 8.3134 122.0119 63.1754 32.6781 175.1958 *143 I 4.1636 7.4764 119.8764 61.0740 38.6687 174.4403 144 K 5.0586 9.2955 128.7168 54.4724 35.5106 174.9898 145 K 5.1648 8.7202 124.5786 55.6916 36.7043 174.3537 146 L 5.2457 9.0492 120.8302 54.2247 44.9078 175.6696 147 V 4.7116 8.5140 118.2284 61.2968 34.2899 174.4265 148 V 4.1801 8.9597 129.2491 62.5817 32.7163 174.8291 149 K 4.8353 9.0602 126.6612 54.5318 34.6302 175.2692 150 V 4.6962 8.3382 124.6256 60.1571 34.7394 173.2352 151 P 4.3221 0.0000 0.0000 62.1287 31.9730 177.4613 152 V 3.6655 8.8194 123.1984 66.2589 31.8077 178.7082 153 K 4.1587 7.9615 118.2219 59.6404 31.9368 177.2435 154 L 4.2245 8.0463 115.2347 55.7223 41.4846 177.2614 155 I 4.1158 7.8648 125.9491 61.4089 37.2101 175.3925 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 5.03 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.77 0.00 2 I 8.74 4.55 1.85 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.89 0.00 0.00 3 I 8.03 4.64 1.80 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 1.12 0.51 0.80 0.00 0.00 4 S 7.27 4.40 0.00 3.44 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 5 S 7.78 5.15 0.00 3.87 3.64 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 6 L 9.40 3.67 0.00 1.44 1.52 0.76 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.72 4.11 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 8 N 7.97 4.66 0.00 2.98 2.88 0.00 0.00 7.05 7.40 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 9 P 0.00 4.37 0.00 2.05 2.11 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 10 N 8.00 4.78 0.00 2.74 2.79 0.00 0.00 6.82 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 11 F 7.73 4.05 0.00 3.26 3.45 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 12 K 7.59 4.56 0.00 1.16 1.58 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.38 1.38 7.81 13 V 8.62 3.73 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 0.82 0.00 0.00 0.93 0.00 0.00 14 G 9.05 4.14 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 0.00 15 L 7.28 4.37 0.00 1.73 1.75 1.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.70 0.00 2.32 2.23 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 17 K 8.57 3.89 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.53 7.81 18 V 7.72 3.62 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 1.06 0.00 0.00 0.99 0.00 0.00 19 I 7.70 3.64 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.69 0.87 0.00 0.00 20 A 8.32 4.21 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 10.69 3.95 0.00 2.23 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 2.34 2.45 0.00 22 V 7.74 4.04 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 1.11 0.00 0.00 0.87 0.00 0.00 23 C 8.91 3.98 0.00 2.75 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 24 D 8.21 4.57 0.00 3.08 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 25 Y 7.62 4.36 0.00 3.09 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 26 L 8.35 3.95 0.00 1.71 1.62 0.82 0.60 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 27 N 8.51 4.61 0.00 2.80 2.88 0.00 0.00 7.04 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.82 4.23 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 1.11 0.00 0.00 29 L 6.73 4.69 0.00 1.40 1.35 0.37 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.18 4.57 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.00 4.10 0.00 1.62 1.66 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.49 4.44 0.00 3.15 2.84 0.00 0.00 6.78 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 33 A 8.64 4.03 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 34 L 7.26 4.28 0.00 1.63 1.56 0.81 0.81 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 35 E 8.82 4.06 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 36 N 8.56 4.39 0.00 2.72 2.77 0.00 0.00 7.18 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 37 G 8.18 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.45 4.90 0.00 1.80 1.81 0.00 2.87 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 1.54 1.81 0.00 39 H 9.03 5.11 0.00 3.21 3.23 0.00 5.65 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 40 D 8.75 5.30 0.00 2.56 2.58 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 41 I 8.72 4.22 1.99 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 1.22 0.62 0.43 0.00 0.00 42 N 7.56 5.00 0.00 2.79 2.77 0.00 0.00 7.17 8.08 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 43 D 8.70 4.40 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 7.98 4.26 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 45 I 7.64 4.88 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.90 0.00 0.00 46 Y 8.04 5.45 0.00 3.16 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 47 M 9.31 5.13 0.00 2.09 1.87 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 2.49 2.54 0.00 48 N 9.19 5.40 0.00 2.68 2.74 0.00 0.00 6.59 7.41 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 49 V 9.11 4.57 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.82 0.00 0.00 50 M 8.58 4.55 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 51 E 8.30 4.60 0.00 1.78 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 2.25 2.34 0.00 52 P 0.00 4.53 0.00 2.03 2.01 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 *61 K 8.45 4.11 0.00 1.63 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 62 A 8.79 4.49 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 63 E 8.38 5.71 0.00 1.90 1.60 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 1.93 2.04 0.00 64 L 8.15 4.58 0.00 1.56 1.32 0.50 0.65 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 65 H 8.25 5.66 0.00 3.28 3.57 0.00 5.94 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 66 H 9.38 4.20 0.00 3.21 3.23 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 10.78 4.72 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 68 Y 8.04 5.09 0.00 2.96 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 69 L 9.33 4.63 0.00 1.75 1.82 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.99 5.29 0.00 2.80 2.62 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 71 V 8.82 4.55 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.81 0.00 0.00 72 Q 8.97 4.81 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 73 V 8.79 4.52 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 0.83 0.00 0.00 0.83 0.00 0.00 74 L 8.34 4.37 0.00 1.84 1.51 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.41 4.33 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.92 0.89 0.00 0.00 76 R 8.82 4.56 0.00 1.66 1.75 0.00 3.19 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 77 G 8.79 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 0.00 0.00 0.00 0.00 78 T 8.04 4.67 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 1.28 0.00 0.00 79 E 9.26 4.74 0.00 1.96 1.72 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 2.21 2.30 0.00 80 N 8.82 5.57 0.00 2.74 2.70 0.00 0.00 6.87 7.32 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 81 I 8.64 4.84 1.94 0.00 0.00 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 1.28 1.05 0.98 0.00 0.00 82 E 9.41 4.64 0.00 1.91 1.78 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 2.27 2.22 0.00 83 V 8.65 4.44 1.78 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 -0.07 0.00 0.00 0.79 0.00 0.00 84 G 8.31 4.50 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 0.00 0.00 0.00 85 A 9.03 4.81 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 86 T 7.67 4.47 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 1.28 0.00 0.00 87 Y 8.45 4.18 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.41 0.00 1.97 1.93 0.00 3.02 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 89 N 8.65 4.70 0.00 2.83 2.88 0.00 0.00 7.07 6.66 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 90 L 8.54 4.15 0.00 1.81 1.79 0.90 0.57 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 91 S 8.65 4.18 0.00 4.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.14 4.30 0.00 1.78 1.84 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.46 7.81 93 Y 7.85 4.21 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.37 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 95 D 8.53 4.82 0.00 2.73 2.57 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 0.00 0.00 0.00 0.00 96 Y 8.90 4.52 0.00 3.01 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 97 N 6.78 4.44 0.00 1.83 1.42 0.00 0.00 7.07 8.89 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 98 E 8.17 3.80 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 99 A 7.82 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.32 4.80 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.89 4.40 0.00 3.08 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 0.00 102 Y 6.10 5.93 0.00 3.13 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 0.00 103 Q 8.66 4.95 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 104 L 8.59 5.94 0.00 1.64 1.55 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.09 4.71 0.00 1.40 1.18 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 0.00 106 A 8.57 4.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.50 4.92 0.00 2.51 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 0.00 108 I 8.10 4.46 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.94 0.00 0.00 109 D 8.60 4.75 0.00 2.73 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 0.00 110 D 8.75 4.48 0.00 2.88 2.81 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 0.00 111 K 8.00 4.40 0.00 1.78 1.73 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.30 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.43 7.81 112 F 8.42 4.91 0.00 3.03 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 0.00 113 T 8.89 4.91 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 1.24 0.00 0.00 114 V 9.13 4.31 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 1.08 0.00 0.00 1.02 0.00 0.00 115 T 8.50 4.74 4.26 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 1.27 0.00 0.00 116 M 9.66 4.43 0.00 1.84 2.06 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 2.58 2.82 0.00 117 K 8.46 4.80 0.00 1.70 1.71 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 118 P 0.00 4.37 0.00 2.03 2.18 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 119 K 9.53 4.34 0.00 1.88 2.20 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.36 7.81 120 M 8.00 4.58 0.00 1.90 2.11 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.48 0.00 121 F 8.78 5.22 0.00 2.96 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 0.00 122 A 8.83 4.54 0.60 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 0.00 0.00 123 V 8.50 4.28 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 0.52 0.00 0.00 1.01 0.00 0.00 124 F 8.48 5.43 0.00 2.88 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 Y 9.72 4.64 0.00 3.09 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 0.00 126 P 0.00 4.75 0.00 2.24 2.01 0.00 4.05 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 127 Y 8.39 3.34 0.00 2.93 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.69 4.50 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 129 P 0.00 5.19 0.00 2.08 2.21 0.00 3.99 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.79 0.00 130 H 8.13 4.71 0.00 2.90 2.42 0.00 5.39 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 10.10 4.51 0.00 1.76 1.63 0.00 1.61 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.33 7.81 132 P 0.00 4.85 0.00 1.98 2.23 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 133 C 7.86 4.67 0.00 3.03 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 0.00 134 C 8.31 4.67 0.00 3.04 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 0.00 135 V 8.31 4.00 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 0.86 0.00 0.00 0.93 0.00 0.00 *143 I 7.48 4.16 1.87 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 1.23 0.98 0.91 0.00 0.00 144 K 9.30 5.06 0.00 1.73 1.58 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.51 7.81 145 K 8.72 5.16 0.00 1.85 1.83 0.00 1.46 0.00 0.00 2.07 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 146 L 9.05 5.25 0.00 1.71 1.73 0.86 0.78 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 0.00 147 V 8.51 4.71 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 0.96 0.00 0.00 0.93 0.00 0.00 148 V 8.96 4.18 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 0.84 0.00 0.00 0.88 0.00 0.00 149 K 9.06 4.84 0.00 0.79 0.87 0.00 1.19 0.00 0.00 1.48 0.00 0.00 2.60 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.94 0.88 7.81 150 V 8.34 4.70 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 0.82 0.00 0.00 0.87 0.00 0.00 151 P 0.00 4.32 0.00 2.03 1.49 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.38 0.00 152 V 8.82 3.67 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.05 0.00 0.00 153 K 7.96 4.16 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.39 7.81 154 L 8.05 4.22 0.00 1.73 1.71 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.86 4.12 2.17 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.