NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0537 8.1633 120.7064 55.1795 33.9424 173.8670 2 R 4.9719 9.2204 120.9174 52.2401 33.9824 169.7406 3 V 5.0182 8.5883 121.6529 60.1122 35.9027 173.8104 4 V 4.8769 8.8848 123.4061 61.4779 33.8601 174.0422 5 I 4.8805 9.1027 129.7242 59.8674 39.3629 174.6753 6 Q 5.1333 8.9386 126.2224 53.9521 31.6981 174.8775 7 R 4.4134 8.6416 124.6529 56.1953 31.4453 175.6093 8 V 5.0273 8.8599 118.3943 59.8682 36.0134 176.2510 9 K 4.2398 8.9401 121.5919 56.7463 32.7310 177.0839 10 G 4.6866 7.5163 108.6102 45.9014 0.0000 171.5658 11 A 5.1582 8.2946 121.2232 50.6221 23.4105 175.5218 12 I 4.7489 9.1173 123.0905 59.4770 40.5142 174.1974 13 L 5.1084 8.9106 130.3397 53.6452 43.8999 175.4400 14 S 5.2868 9.3158 121.3985 57.0743 67.6248 173.2320 15 V 5.1109 8.6681 114.7935 59.5391 36.3338 175.2430 16 R 4.3623 8.8387 122.6472 57.7500 30.7327 177.0663 17 K 3.7375 8.3248 118.8988 55.7111 28.6313 176.5398 *27 L 4.6658 7.7771 118.8623 55.2987 43.0672 177.2487 28 E 4.7955 9.4915 120.9150 54.5613 33.4392 174.5436 29 I 4.5857 8.4405 123.3163 61.3594 37.3962 175.6529 30 I 4.6369 8.8183 118.7900 60.6498 39.4608 175.6416 31 S 4.7835 7.8248 117.4088 57.2865 67.5827 172.5638 32 E 5.2571 8.3853 121.4251 55.3390 32.3752 174.1753 33 I 4.7438 8.8110 119.5587 58.2387 41.6443 175.5929 34 K 4.8228 8.8046 127.1776 55.8447 30.7075 178.3983 35 N 4.7237 8.6301 125.3718 53.3606 39.5019 174.9080 36 G 4.8537 6.9816 107.7533 46.2039 0.0000 170.9274 37 L 5.2624 8.0452 121.4539 52.9299 45.8231 175.2987 38 I 4.5947 8.3466 122.8610 59.5150 40.2673 173.9339 39 C 5.1099 8.9140 127.1224 57.9701 31.0856 173.2008 40 F 4.8588 9.1917 124.6233 56.7043 39.8706 174.6906 41 L 5.1460 9.6189 127.7286 53.3343 44.1464 175.0759 42 G 4.6337 9.6693 114.5940 44.6778 0.0000 171.7383 43 I 5.1941 8.6887 126.1346 59.9049 39.4818 175.0839 44 H 3.6057 9.5437 127.8679 54.8270 30.5157 176.2543 45 K 3.8810 7.7337 124.0168 59.3676 32.4271 177.5093 46 N 4.8938 8.1762 115.0859 52.8612 38.9171 174.4021 47 D 4.6738 7.7917 118.8875 54.4124 41.4918 176.1045 48 T 4.7347 9.0781 113.3582 59.2256 71.5939 175.1317 49 W 4.5956 8.9113 130.0419 60.5476 30.4782 177.5056 50 E 3.9423 8.1469 118.9766 59.3379 28.9705 178.9019 51 D 4.3274 8.0652 118.4423 57.2266 40.8350 178.5138 52 A 3.7985 7.9491 120.6628 55.2540 18.2515 179.4978 53 L 3.4463 7.1874 117.2080 57.7190 41.5366 179.1234 54 Y 3.8897 7.8454 119.4173 60.7041 38.7620 178.0760 55 I 3.6508 7.5911 120.2736 64.5826 37.2724 178.3504 56 I 3.1320 7.5656 120.5552 64.1167 36.6868 178.2706 57 R 3.7249 7.9992 119.7321 59.4166 29.8441 178.6124 58 K 3.7789 7.9925 118.2925 59.7442 31.8451 178.9909 59 C 4.1298 8.2451 115.8425 62.9328 28.1948 175.8047 60 L 4.3313 7.8835 118.3623 55.9763 41.5725 177.1671 61 N 4.9474 7.7011 113.3401 52.3354 40.8391 174.8963 62 L 4.0184 7.8742 119.7951 55.1800 42.2420 176.9653 63 R 4.7494 8.5419 123.0738 55.4011 28.6928 176.4866 64 L 4.7932 8.3879 119.4049 54.0555 42.8046 176.6155 65 W 4.6687 8.0534 119.7835 54.2904 31.8871 175.2797 66 N 4.6942 8.5124 119.2567 53.6481 38.8176 173.8663 67 N 4.7453 8.8672 120.6947 52.2962 40.3457 176.3252 68 D 4.5016 8.3956 129.5740 55.3262 38.7112 175.8136 69 N 4.6427 9.0889 126.4439 53.6864 38.3166 175.0664 70 K 4.1877 7.9563 121.2287 56.3103 32.7234 176.2805 71 T 4.7980 8.2670 113.3396 60.3177 70.9213 174.3293 72 W 4.3285 7.5303 120.2552 57.6817 26.5119 173.1057 73 D 4.8813 8.1128 116.9389 55.2174 43.7096 176.7872 74 K 4.9196 8.5106 117.8976 54.6921 34.8944 176.2809 75 N 5.7674 9.6011 122.5437 50.9844 39.8059 176.2960 76 V 3.2454 8.5922 117.8439 64.7103 31.4211 178.4683 77 K 3.4657 7.7655 118.6986 59.0147 31.7157 178.5235 78 D 4.2777 8.5162 118.3969 57.6055 40.9664 178.8389 79 L 3.6160 6.8694 115.7958 54.4587 41.4974 176.7148 80 N 4.3504 7.3831 115.6545 54.5211 37.6608 173.4890 81 Y 4.9050 7.7843 114.4140 57.2042 39.6812 174.3973 82 E 4.9778 8.9096 119.4206 55.0267 32.9170 175.4198 83 L 5.2616 8.8892 120.5106 52.9196 45.9234 175.5740 84 L 4.8758 8.8250 125.3785 53.4787 44.3704 174.9072 85 I 4.7465 8.4645 128.2590 59.7011 39.2963 174.9243 86 V 4.6153 8.4802 127.8617 60.5922 33.9771 174.9532 87 S 4.7284 8.6711 123.0363 58.9368 64.0369 174.6201 88 Q 4.5234 9.7941 124.9424 54.4592 29.7006 174.7496 89 F 4.5118 8.6541 120.0418 59.1750 38.6697 178.4295 90 T 3.3790 6.5355 110.1168 63.7074 68.4065 175.8898 91 L 4.0617 7.5437 121.0294 56.6269 41.5344 177.4823 92 F 4.6848 8.2036 116.3108 56.5202 39.6067 176.1377 93 G 3.8391 8.4226 110.8811 46.3551 0.0000 172.8128 94 N 4.6185 8.8950 123.6822 52.8183 38.4685 174.8097 95 T 4.3881 8.3173 117.5431 61.8639 69.3221 177.2429 96 K 4.0981 7.8453 126.8595 57.6413 31.7746 181.7981 97 K 4.3565 7.4178 118.5574 54.4364 33.1325 180.6826 98 G 4.0688 8.8480 111.7297 45.7962 0.0000 171.3055 99 N 4.7640 8.4917 116.7330 52.4209 37.6556 176.0449 100 K 4.6572 7.7403 120.4174 52.9005 34.2820 177.5198 101 P 4.6048 0.0000 0.0000 61.3073 32.5200 175.2745 102 D 4.5448 8.2290 122.0536 52.4475 43.9220 174.5678 103 F 5.1540 8.7742 125.1976 56.6348 39.3784 174.4495 104 H 4.7176 8.9459 124.8112 57.7968 32.3633 175.2905 105 L 3.6704 8.1977 118.7133 57.1680 40.8284 179.4533 106 A 4.5083 7.8834 119.2935 51.1300 19.2397 174.9372 107 K 4.4865 7.9001 116.1375 55.1064 35.6380 175.9613 108 E 4.1650 8.7148 119.0033 55.3513 28.4037 175.4797 109 P 4.3202 0.0000 0.0000 65.8136 31.9318 179.1333 110 N 4.4759 8.5401 121.2446 57.7781 37.3889 181.3141 111 E 4.3211 10.7800 119.2914 60.4867 30.1593 181.1307 112 A 4.4128 8.0509 124.0324 55.7567 18.4561 180.0579 113 L 3.0298 7.8078 122.8219 59.9839 40.8562 181.9944 114 I 3.8944 7.2304 120.9718 64.8571 35.5009 179.4734 115 F 4.4418 8.2573 122.8922 61.5430 39.1965 176.4304 116 Y 4.1795 8.9159 119.0930 61.1434 38.5884 178.0799 117 N 4.4008 8.7557 119.8524 56.7732 38.5731 178.2065 118 K 3.9882 8.0855 125.2401 59.6778 31.6721 182.0693 119 I 3.8220 7.6438 120.9762 64.4094 37.1675 178.5727 120 I 3.8157 7.6307 120.5601 64.5192 36.8170 178.2725 121 D 4.3862 8.1035 119.7033 57.3604 40.5958 178.4593 122 E 4.0161 8.3641 119.8518 59.1308 29.7553 178.5116 123 F 4.1826 8.2940 118.1349 60.9056 38.8310 177.9931 124 K 4.0799 7.9153 116.0112 59.3595 31.9449 179.1107 125 K 4.1058 8.3916 119.3688 59.2580 32.2124 178.1252 126 Q 4.4010 8.2749 116.2856 55.8205 28.8721 175.3496 127 Y 4.8648 8.2276 117.1857 57.1726 39.9369 174.9188 128 N 4.7964 8.6827 111.0852 52.4879 42.7873 174.0828 129 D 4.3116 9.0870 128.3461 57.9188 40.9841 177.8366 130 D 4.6390 8.0617 115.1195 53.2623 40.4040 180.5983 131 K 4.2236 7.7586 117.0581 57.1780 32.6756 175.5824 132 I 4.7259 7.4296 120.0757 59.6062 38.8050 175.1105 133 K 4.7879 8.8865 127.1103 54.6987 35.3668 175.2241 134 I 5.2968 7.5069 114.0829 59.1249 41.1575 174.0553 135 G 4.1532 8.4848 109.1767 45.2264 0.0000 173.7316 136 K 4.4792 8.4958 122.8631 54.0300 31.9399 175.8689 137 F 3.9523 8.7194 127.6091 59.7698 39.5006 175.6313 138 G 3.7603 8.0558 114.5702 45.7057 0.0000 172.6151 139 N 5.0423 7.7087 116.2806 50.8135 41.0354 174.1585 140 Y 4.1324 8.4699 121.8010 58.2636 39.5089 175.2917 141 M 4.9157 7.0109 124.3744 53.4591 36.6052 173.8654 142 N 4.7867 9.5896 121.6921 51.9021 41.5744 173.2728 143 I 4.8994 8.2917 126.8458 59.5260 39.8841 175.1282 144 D 4.6173 8.9163 129.0134 53.8344 41.5795 175.8889 145 V 4.7059 8.3882 123.6569 61.3809 34.3742 175.3819 146 T 4.4337 8.7278 125.1595 61.9582 69.0070 173.1994 147 N 4.8173 8.6207 124.1881 53.3295 39.3506 174.9229 148 D 4.2460 10.4361 125.2638 53.2368 40.5753 174.7012 149 G 4.0428 8.4795 117.7211 44.7872 0.0000 169.6727 150 P 4.3710 0.0000 0.0000 61.1380 33.0279 176.2209 151 V 4.4213 8.1205 118.8797 61.7148 34.1768 174.0966 152 T 5.2037 8.6792 124.6905 61.8315 70.9750 173.7079 153 I 4.6205 9.0415 127.5196 59.5175 40.3985 173.9223 154 Y 5.2665 8.6683 126.8260 55.9241 41.4928 174.6917 155 I 4.4202 7.6697 125.6921 59.4994 42.0417 173.6903 156 D 5.1405 8.4024 125.8564 52.3162 42.7498 176.1423 157 T 3.8709 8.8030 118.2419 64.5910 68.6799 175.3538 158 H 4.7441 8.2099 117.4969 56.7844 28.8430 175.0527 159 D 4.8784 8.2755 119.7120 54.0380 40.8097 176.6587 160 I 4.1254 7.2098 125.0884 61.5883 38.0949 175.1479 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 8.16 5.05 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.22 4.97 0.00 1.38 1.67 0.00 2.21 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 3 V 8.59 5.02 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 0.68 0.00 0.00 1.07 0.00 0.00 4 V 8.88 4.88 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 1.17 0.00 0.00 1.11 0.00 0.00 5 I 9.10 4.88 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.92 0.00 0.00 6 Q 8.94 5.13 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 7 R 8.64 4.41 0.00 1.66 1.77 0.00 2.21 0.00 0.00 2.51 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.00 8 V 8.86 5.03 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 9 K 8.94 4.24 0.00 1.64 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 10 G 7.52 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.29 5.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 9.12 4.75 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 1.10 1.04 0.91 0.00 0.00 13 L 8.91 5.11 0.00 1.67 1.50 0.89 0.74 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 14 S 9.32 5.29 0.00 3.86 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 15 V 8.67 5.11 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 0.89 0.00 0.00 0.97 0.00 0.00 16 R 8.84 4.36 0.00 1.87 1.87 0.00 3.39 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.00 17 K 8.32 3.74 0.00 1.95 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 1.01 7.81 *27 L 7.78 4.67 0.00 1.59 1.73 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.49 4.80 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 29 I 8.44 4.59 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 1.41 0.55 0.91 0.00 0.00 30 I 8.82 4.64 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.96 0.00 0.00 31 S 7.82 4.78 0.00 3.73 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 32 E 8.39 5.26 0.00 1.93 1.75 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 2.18 2.42 0.00 33 I 8.81 4.74 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 1.19 0.85 0.87 0.00 0.00 34 K 8.80 4.82 0.00 1.74 1.21 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.51 7.81 35 N 8.63 4.72 0.00 1.44 1.77 0.00 0.00 6.65 7.58 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 36 G 6.98 4.85 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 0.00 0.00 0.00 37 L 8.05 5.26 0.00 1.64 1.56 1.07 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.35 4.59 1.74 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 0.29 1.44 0.92 0.00 0.00 39 C 8.91 5.11 0.00 2.77 2.83 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 0.00 0.00 0.00 40 F 9.19 4.86 0.00 2.98 2.98 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 41 L 9.62 5.15 0.00 1.88 1.82 1.19 1.22 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 42 G 9.67 4.63 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 43 I 8.69 5.19 2.09 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.33 1.05 0.00 0.00 44 H 9.54 3.61 0.00 2.97 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.73 3.88 0.00 1.80 1.97 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 1.34 7.81 46 N 8.18 4.89 0.00 2.73 2.84 0.00 0.00 6.94 8.06 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 47 D 7.79 4.67 0.00 2.70 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 48 T 9.08 4.73 4.37 0.00 0.00 0.00 0.00 0.00 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 49 W 8.91 4.60 0.00 3.51 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 50 E 8.15 3.94 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 51 D 8.07 4.33 0.00 2.92 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 52 A 7.95 3.80 0.53 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 0.00 0.00 53 L 7.19 3.45 0.00 1.62 1.52 0.88 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.85 3.89 0.00 3.01 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 55 I 7.59 3.65 1.97 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 1.78 0.70 0.98 0.00 0.00 56 I 7.57 3.13 1.51 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.07 0.39 0.00 0.00 57 R 8.00 3.72 0.00 1.84 1.83 0.00 3.02 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 58 K 7.99 3.78 0.00 1.75 1.70 0.00 1.57 0.00 0.00 1.40 0.00 0.00 2.46 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.69 1.09 7.81 59 C 8.25 4.13 0.00 3.33 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 60 L 7.88 4.33 0.00 1.81 1.66 1.03 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.70 4.95 0.00 2.63 2.77 0.00 0.00 6.99 8.14 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 62 L 7.87 4.02 0.00 1.83 1.64 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.54 4.75 0.00 2.01 2.09 0.00 3.15 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 64 L 8.39 4.79 0.00 0.86 1.45 0.81 1.05 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 65 W 8.05 4.67 0.00 3.58 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 66 N 8.51 4.69 0.00 2.79 2.85 0.00 0.00 6.51 6.92 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 67 N 8.87 4.75 0.00 2.73 2.76 0.00 0.00 7.37 8.30 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 68 D 8.40 4.50 0.00 2.88 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 0.00 0.00 0.00 69 N 9.09 4.64 0.00 2.81 2.92 0.00 0.00 5.95 7.13 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 70 K 7.96 4.19 0.00 2.16 1.78 0.00 1.65 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 1.47 1.38 7.81 71 T 8.27 4.80 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 1.11 0.00 0.00 72 W 7.53 4.33 0.00 3.47 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 73 D 8.11 4.88 0.00 2.66 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 74 K 8.51 4.92 0.00 1.78 1.61 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 75 N 9.60 5.77 0.00 2.92 3.23 0.00 0.00 6.62 7.35 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 76 V 8.59 3.25 2.49 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 0.89 0.00 0.00 1.15 0.00 0.00 77 K 7.77 3.47 0.00 1.72 1.57 0.00 1.39 0.00 0.00 1.52 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 1.27 7.81 78 D 8.52 4.28 0.00 2.58 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 79 L 6.87 3.62 0.00 0.27 0.13 -0.20 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.38 4.35 0.00 2.77 2.85 0.00 0.00 7.18 7.28 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 81 Y 7.78 4.91 0.00 2.74 2.83 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 0.00 0.00 0.00 82 E 8.91 4.98 0.00 1.92 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 2.21 2.28 0.00 83 L 8.89 5.26 0.00 1.41 1.29 1.12 0.36 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 84 L 8.82 4.88 0.00 1.65 1.40 0.89 1.21 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 85 I 8.46 4.75 1.86 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.52 1.00 0.00 0.00 86 V 8.48 4.62 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 1.01 0.00 0.00 0.77 0.00 0.00 87 S 8.67 4.73 0.00 3.84 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 88 Q 9.79 4.52 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 89 F 8.65 4.51 0.00 3.33 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 6.54 3.38 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 91 L 7.54 4.06 0.00 1.68 1.52 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.20 4.68 0.00 3.41 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 93 G 8.42 3.84 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 0.00 0.00 0.00 94 N 8.89 4.62 0.00 2.75 2.68 0.00 0.00 6.46 6.81 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 95 T 8.32 4.39 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 1.18 0.00 0.00 96 K 7.85 4.10 0.00 1.89 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 K 7.42 4.36 0.00 1.83 1.60 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.22 7.81 98 G 8.85 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.49 4.76 0.00 2.75 2.69 0.00 0.00 6.37 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 0.00 100 K 7.74 4.66 0.00 1.73 1.59 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.98 7.81 101 P 0.00 4.60 0.00 1.33 1.76 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 102 D 8.23 4.54 0.00 2.70 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.77 5.15 0.00 3.19 3.34 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 0.00 104 H 8.95 4.72 0.00 3.05 3.29 0.00 5.97 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.20 3.67 0.00 1.61 1.70 0.92 0.79 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 0.00 106 A 7.88 4.51 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 0.00 107 K 7.90 4.49 0.00 1.74 1.65 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.38 7.81 108 E 8.71 4.16 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 109 P 0.00 4.32 0.00 2.29 2.26 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 110 N 8.54 4.48 0.00 2.73 2.83 0.00 0.00 7.03 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 0.00 111 E 10.78 4.32 0.00 1.97 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 2.21 2.19 0.00 112 A 8.05 4.41 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 0.00 0.00 0.00 0.00 0.00 113 L 7.81 3.03 0.00 1.70 1.70 0.92 0.77 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 0.00 114 I 7.23 3.89 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 1.41 0.54 0.91 0.00 0.00 115 F 8.26 4.44 0.00 3.30 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 0.00 116 Y 8.92 4.18 0.00 3.34 3.09 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 0.00 117 N 8.76 4.40 0.00 2.91 2.86 0.00 0.00 7.19 7.79 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 0.00 118 K 8.09 3.99 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.64 3.82 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 1.14 0.29 0.83 0.00 0.00 120 I 7.63 3.82 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.16 0.90 0.00 0.00 121 D 8.10 4.39 0.00 2.90 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 0.00 122 E 8.36 4.02 0.00 2.37 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 2.26 2.29 0.00 123 F 8.29 4.18 0.00 3.29 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 0.00 124 K 7.92 4.08 0.00 1.98 1.89 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 125 K 8.39 4.11 0.00 1.75 2.03 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.27 4.40 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 127 Y 8.23 4.86 0.00 3.01 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 0.00 128 N 8.68 4.80 0.00 2.46 1.78 0.00 0.00 6.87 8.49 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 0.00 129 D 9.09 4.31 0.00 2.64 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 0.00 130 D 8.06 4.64 0.00 2.71 2.56 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 0.00 131 K 7.76 4.22 0.00 1.09 1.53 0.00 1.69 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.91 0.59 7.81 132 I 7.43 4.73 1.83 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 1.47 0.92 0.77 0.00 0.00 133 K 8.89 4.79 0.00 1.60 1.67 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.60 7.81 134 I 7.51 5.30 2.10 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 1.28 1.67 0.96 0.00 0.00 135 G 8.48 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.50 4.48 0.00 1.81 1.74 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 137 F 8.72 3.95 0.00 2.91 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 0.00 138 G 8.06 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 0.00 139 N 7.71 5.04 0.00 2.94 2.77 0.00 0.00 6.84 7.07 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 0.00 140 Y 8.47 4.13 0.00 2.96 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 M 7.01 4.92 0.00 1.74 1.68 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 142 N 9.59 4.79 0.00 2.83 2.68 0.00 0.00 7.03 7.87 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 0.00 143 I 8.29 4.90 1.92 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 1.32 0.76 0.91 0.00 0.00 144 D 8.92 4.62 0.00 2.62 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 0.00 145 V 8.39 4.71 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 0.86 0.00 0.00 1.00 0.00 0.00 146 T 8.73 4.43 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 1.21 0.00 0.00 147 N 8.62 4.82 0.00 2.62 2.77 0.00 0.00 6.95 8.06 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 0.00 148 D 10.44 4.25 0.00 2.64 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 0.00 149 G 8.48 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.37 0.00 2.07 2.00 0.00 3.63 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 2.03 2.07 0.00 151 V 8.12 4.42 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 1.18 0.00 0.00 0.89 0.00 0.00 152 T 8.68 5.20 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 1.25 0.00 0.00 153 I 9.04 4.62 1.89 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 1.12 0.96 0.91 0.00 0.00 154 Y 8.67 5.27 0.00 2.92 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 0.00 155 I 7.67 4.42 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 1.00 0.00 0.00 156 D 8.40 5.14 0.00 2.65 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 0.00 157 T 8.80 3.87 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 1.35 0.00 0.00 158 H 8.21 4.74 0.00 3.41 3.37 0.00 5.64 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 0.00 159 D 8.28 4.88 0.00 2.68 2.67 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 0.00 160 I 7.21 4.13 1.77 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.43 0.75 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.