NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6253 8.5298 117.5850 55.3713 32.5707 174.2462 2 Q 4.2783 8.6140 117.1607 51.9497 31.8515 173.6227 3 D 4.6082 8.4928 121.8942 51.9616 43.5522 178.4399 4 A 3.7610 8.1437 120.9134 55.0074 17.9360 180.1152 5 I 3.4899 7.1321 118.2206 64.7833 37.3593 178.5963 6 T 3.9040 8.5160 110.5584 64.3038 68.6190 176.4125 7 A 4.0418 7.8470 124.0940 55.0949 18.4161 179.8000 8 V 3.4940 7.4021 116.6679 66.0917 31.5414 178.1862 9 I 3.6611 7.6914 119.5660 64.5891 36.9370 178.1403 10 N 4.3089 8.5162 117.8187 56.3684 36.9380 177.6962 11 S 4.1578 7.9694 115.0915 61.3236 63.0908 176.7874 12 S 4.2998 8.0313 118.9745 61.3598 62.5245 176.0065 13 D 4.2713 8.4044 121.3871 57.2116 40.8140 178.5625 14 V 3.6548 7.8349 117.5811 63.8041 31.3878 176.5745 15 Q 4.3244 7.3122 115.9164 55.1073 29.5634 176.0589 16 G 3.8534 8.1244 105.9326 46.2551 0.0000 173.4353 17 K 4.6834 7.8088 117.9772 54.1670 34.1723 176.3485 18 Y 4.1189 8.5203 119.5339 57.2789 38.5898 175.7568 19 L 4.0335 8.4758 122.3026 55.1497 41.9879 177.8985 20 D 4.8239 8.4607 124.8615 52.3284 42.9090 176.9538 21 T 3.8436 8.3745 108.6941 64.9028 68.6429 176.1094 22 A 3.9646 8.0781 122.8975 54.8841 18.5321 179.2199 23 A 3.9312 8.3840 119.2146 55.5080 18.4928 179.9770 24 L 4.0707 8.2257 117.5358 57.8602 41.6166 179.6846 25 E 4.0351 8.3796 118.8555 59.0971 29.2351 179.3822 26 K 3.9841 8.0017 118.3788 59.4685 32.0872 179.3435 27 L 3.8143 7.9587 119.1530 57.6680 41.4702 179.6850 28 K 4.2145 8.3387 118.5122 59.7202 31.8070 179.2105 29 S 4.2322 7.9770 113.5153 60.7963 62.5758 175.5373 30 Y 4.1840 7.6957 122.0548 60.7811 38.5037 177.4765 31 F 4.3625 8.1052 119.0952 60.8451 39.1403 177.9319 32 S 4.2426 8.7507 114.2634 60.9839 62.8668 175.7620 33 T 4.4195 7.7434 111.9008 62.0738 69.0007 176.5765 34 G 3.6554 7.3801 109.6751 48.5677 0.0000 175.4168 35 E 3.9709 8.0826 120.9134 58.6394 29.5133 179.1904 36 L 3.9539 7.8248 119.9478 58.0327 42.1154 179.1709 37 R 3.8748 7.9940 118.1343 59.2880 30.0803 179.1510 38 V 3.5633 7.8881 118.0737 65.9034 31.3436 177.8030 39 R 3.8309 8.2298 118.3696 59.3636 29.9632 178.0620 40 A 3.9718 8.0696 120.1239 55.3364 18.4157 179.3385 41 A 3.9274 8.1923 119.1053 55.7967 18.5075 180.0921 42 T 3.8810 8.0470 114.1059 66.9064 68.4980 177.2818 43 T 3.8660 8.2071 117.9383 66.6861 68.2981 176.7926 44 I 3.6968 8.1758 120.3846 64.3933 37.3496 177.9610 45 A 4.1071 8.0947 121.3113 55.1987 17.9574 179.5351 46 A 4.0151 7.8325 118.0825 54.6948 18.6273 178.6530 47 N 4.7774 7.8704 112.6785 53.0305 38.9070 176.6125 48 A 3.9898 7.6173 124.7394 55.6633 18.3212 180.5137 49 A 3.9421 7.9738 118.0722 55.2926 18.5176 179.5892 50 A 3.9671 7.9604 118.7868 55.0082 18.4361 179.8829 51 I 3.6384 7.9888 118.7468 64.5706 37.2106 178.7523 52 V 3.5584 7.5835 118.5788 65.7718 31.3876 177.6746 53 K 3.8586 8.1983 119.5316 59.7835 31.9373 178.3184 54 E 3.9511 8.4390 119.2159 58.9979 29.4819 178.4361 55 A 3.9437 8.1521 120.9902 55.2260 18.3886 179.7414 56 V 3.4573 8.1915 116.8514 66.1017 31.3704 177.9766 57 A 4.0561 7.8897 119.2554 55.3185 18.3039 179.4709 58 K 4.1620 8.3909 116.4531 58.4042 32.4869 178.7130 59 S 4.7139 8.4750 112.8049 58.2184 64.1145 175.7040 60 L 4.5265 8.0875 120.1815 55.3861 44.1513 177.3588 61 L 4.0213 7.8651 116.6917 55.8319 42.1496 175.7237 62 Y 3.6588 8.0295 116.1780 59.2012 35.5874 169.6963 63 S 4.8325 7.5025 111.7581 56.2831 67.0380 174.3951 64 D 4.4503 8.6444 119.0694 57.3422 40.9943 179.3680 65 I 3.8111 7.7884 120.5628 64.1162 37.1041 177.6974 66 T 4.4229 7.6759 107.6474 62.0456 69.6081 175.1286 67 R 4.3801 7.4189 121.0152 54.1884 31.2985 173.8551 68 P 2.9700 0.0000 0.0000 64.2578 31.4559 176.5826 69 G 4.0997 8.8331 110.9913 45.4737 0.0000 174.0293 70 G 4.9051 7.7401 114.3055 44.9870 0.0000 175.8528 *72 M 4.3686 8.6506 125.0649 54.3588 33.4437 174.7061 73 Y 4.2593 7.6642 120.5716 58.3602 39.8770 174.6090 74 T 3.0618 7.0533 114.8463 62.1455 69.1009 172.8842 75 T 3.7758 8.2074 114.4725 64.8626 68.6537 176.4528 76 R 3.8484 7.8974 120.9709 59.5610 30.1279 178.6104 77 R 3.9924 7.7992 117.5127 58.9956 30.0256 178.3848 78 Y 3.8426 8.0926 119.3133 60.6589 38.8684 177.9697 79 A 4.0841 8.4995 121.7955 55.2012 18.4838 179.4369 80 A 3.9511 8.0229 119.2620 55.2616 18.4163 179.3906 81 C 3.9926 8.1093 117.3779 62.7168 31.6520 176.0062 82 I 3.7330 7.6272 114.3358 63.5454 37.1233 178.1105 83 R 3.9144 7.8803 122.4069 58.7881 29.7904 178.1157 84 D 4.4406 8.0054 118.7424 57.4194 40.8520 178.7313 85 L 4.2638 8.0959 119.4656 57.9214 41.5759 179.3204 86 D 4.3595 8.2343 119.1073 57.5158 40.6571 178.4426 87 Y 4.4747 7.7685 117.0762 61.4477 37.8620 178.1366 88 Y 4.6345 8.1723 117.9996 61.3349 38.0446 178.7709 89 L 4.2871 8.3019 121.1320 58.1712 42.2387 178.9301 90 R 3.5732 8.0752 118.6569 59.6489 29.9126 178.1939 91 Y 3.8721 8.3372 116.6354 60.8242 37.7859 178.0841 92 A 3.9706 8.3992 121.9600 55.3493 18.2953 179.8778 93 T 3.6959 7.7838 114.3185 66.7776 68.3973 176.4908 94 Y 4.2694 7.5848 118.3977 61.2110 37.9923 178.5535 95 A 3.8300 8.2019 121.8360 55.2005 18.1369 179.3423 96 M 3.3973 7.5195 115.8436 58.4853 32.3953 178.0276 97 L 4.1176 7.7987 117.7889 58.0039 42.1829 179.3723 98 A 4.2100 8.4275 120.5546 52.7474 17.9359 178.5850 99 G 4.1149 7.9972 104.4896 46.0958 0.0000 172.9701 100 D 4.6595 7.5641 117.4380 51.9188 44.2698 173.2625 101 P 4.3748 0.0000 0.0000 63.3500 32.2241 177.8811 102 S 4.1037 8.4588 116.0902 62.0360 62.4694 176.3674 103 I 3.7420 7.6829 121.2724 63.5440 37.7358 177.8014 104 L 4.0078 7.9493 120.2667 57.6552 41.1846 179.0173 105 D 4.3818 8.0837 118.2903 57.5064 40.6205 178.5764 106 E 4.0014 8.3297 118.8560 59.1142 29.3737 178.9655 107 R 4.3029 8.0099 114.8245 56.2316 31.1670 176.9425 108 V 3.8790 7.2891 114.8578 64.4937 33.6197 176.9662 109 L 4.2934 8.5449 118.0945 55.5759 42.2304 176.2498 110 N 4.8002 7.2234 117.0760 54.2093 36.6650 173.9657 111 G 4.3108 8.4183 112.0108 45.9854 0.0000 173.1977 112 L 3.8652 7.9228 123.4096 57.3815 42.1674 178.2632 113 K 3.9284 7.8653 119.0700 59.4616 32.1126 178.3311 114 E 3.9388 8.0636 118.3573 59.6572 29.4844 178.8255 115 T 3.9436 7.4789 114.2142 67.2669 68.6393 176.0345 116 Y 4.4059 8.1068 118.0668 61.4448 37.7763 178.6169 117 N 4.4213 8.4341 117.3557 56.2010 38.3622 177.5179 118 S 4.0658 8.2823 114.2325 61.3953 62.6842 175.8460 119 L 4.3094 8.1124 119.6749 55.4152 41.5305 178.0000 120 G 3.8491 7.4841 106.2241 45.4509 0.0000 173.4079 121 V 3.4717 7.6052 120.0452 61.1674 31.8840 174.5433 122 P 4.3161 0.0000 0.0000 62.9201 31.6604 177.0144 123 I 3.8116 8.2898 125.4519 64.3291 37.1652 178.2471 124 S 4.0588 8.0634 113.3323 61.4232 62.2301 175.9840 125 A 4.0499 7.9143 122.9295 55.2635 18.1003 179.5914 126 T 3.8304 7.9222 114.5512 66.7130 68.5088 177.0892 127 V 3.5256 8.0099 120.3236 66.0023 31.5446 178.0947 128 Q 3.9756 8.0634 117.6477 58.8813 28.5953 178.6916 129 A 4.2443 8.1231 123.2416 54.7624 18.4439 179.7809 130 I 3.5782 8.0101 118.5942 64.5797 37.1303 178.7115 131 Q 3.9153 8.5772 119.0868 58.8236 28.4054 178.7494 132 A 4.1259 8.0911 121.9090 55.3590 18.3569 179.6247 133 M 3.8486 7.7168 117.2048 58.0427 31.8230 178.8836 134 K 3.4795 7.3196 119.8193 59.3241 32.3723 178.7417 135 E 3.9255 8.0047 118.7807 59.4139 29.2238 179.5400 136 V 3.5704 7.9129 118.3571 66.3092 31.5698 178.1553 137 T 3.9338 8.3607 115.6589 66.5503 68.4573 176.2649 138 A 4.0764 8.2989 123.0917 55.4287 18.2343 179.8821 139 S 4.2167 7.9229 110.6992 60.8662 63.0896 176.1550 140 L 4.2676 7.3882 122.2699 56.9511 41.8724 178.4591 141 V 4.1860 7.9336 109.0120 59.9284 32.4549 177.3016 142 G 4.0835 7.5868 103.8730 45.0621 0.0000 172.2079 143 P 4.0974 0.0000 0.0000 66.2942 31.2007 178.3667 144 D 4.3654 8.0588 116.0273 57.7385 40.9759 178.9859 145 A 4.1643 8.0648 120.6919 55.0986 18.4728 179.7297 146 G 3.6036 8.7368 104.7118 47.6766 0.0000 175.9379 147 K 4.0317 8.2075 122.0065 59.3254 31.5552 178.6489 148 E 4.0068 8.3112 119.6970 59.4958 29.5711 178.7337 149 M 4.4302 8.5591 119.3006 58.2296 31.9323 178.6621 150 G 3.9702 8.2087 105.9846 48.1228 0.0000 175.6000 151 V 3.4296 7.5916 119.8032 66.0233 31.3700 177.6236 152 Y 4.1980 7.0061 116.4113 60.3392 37.8705 177.9841 153 F 4.4592 8.1502 118.8917 60.8832 39.0096 177.3953 154 D 4.4247 8.5617 118.7622 57.5505 40.6310 178.2250 155 Y 3.9107 7.9760 119.7902 60.6459 38.6137 178.3530 156 I 3.8020 8.0284 120.7884 64.6994 37.0566 178.1641 157 C 4.0597 7.9847 116.2185 62.9731 27.9627 176.1614 158 S 4.3088 8.4075 117.2418 61.3129 62.1933 176.8199 159 G 3.5029 7.6266 106.8628 47.0550 0.0000 175.1681 160 L 4.2535 7.3650 120.2893 56.7871 41.9735 177.4791 161 S 4.4437 7.4873 118.9824 58.6989 63.0357 173.8089 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 8.53 4.63 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 2 Q 8.61 4.28 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 3 D 8.49 4.61 0.00 2.91 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.14 3.76 0.62 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 0.00 0.00 5 I 7.13 3.49 1.91 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 1.37 0.29 0.89 0.00 0.00 6 T 8.52 3.90 4.19 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 1.17 0.00 0.00 7 A 7.85 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.40 3.49 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 1.00 0.00 0.00 0.92 0.00 0.00 9 I 7.69 3.66 1.97 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 1.50 0.70 0.88 0.00 0.00 10 N 8.52 4.31 0.00 2.91 2.84 0.00 0.00 6.83 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 11 S 7.97 4.16 0.00 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.03 4.30 0.00 4.05 4.13 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 13 D 8.40 4.27 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.83 3.65 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 0.78 0.00 0.00 0.92 0.00 0.00 15 Q 7.31 4.32 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 16 G 8.12 3.85 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 17 K 7.81 4.68 0.00 1.76 1.78 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 18 Y 8.52 4.12 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 19 L 8.48 4.03 0.00 1.70 1.67 0.96 1.04 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 20 D 8.46 4.82 0.00 2.96 2.86 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 0.00 0.00 0.00 21 T 8.37 3.84 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 1.23 0.00 0.00 22 A 8.08 3.96 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.38 3.93 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 24 L 8.23 4.07 0.00 1.73 1.79 0.96 1.25 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 25 E 8.38 4.04 0.00 2.17 2.02 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 2.51 2.51 0.00 26 K 8.00 3.98 0.00 2.04 1.83 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 27 L 7.96 3.81 0.00 1.93 1.66 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.34 4.21 0.00 2.05 1.96 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.77 7.81 29 S 7.98 4.23 0.00 4.05 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 30 Y 7.70 4.18 0.00 2.87 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 31 F 8.11 4.36 0.00 3.30 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 32 S 8.75 4.24 0.00 4.04 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 33 T 7.74 4.42 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 1.24 0.00 0.00 34 G 7.38 3.66 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 0.00 0.00 0.00 35 E 8.08 3.97 0.00 2.00 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 2.39 2.35 0.00 36 L 7.82 3.95 0.00 1.66 1.88 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.99 3.87 0.00 2.03 1.93 0.00 2.95 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 38 V 7.89 3.56 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 0.99 0.00 0.00 0.92 0.00 0.00 39 R 8.23 3.83 0.00 1.98 2.12 0.00 3.17 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 40 A 8.07 3.97 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.19 3.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.05 3.88 4.38 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 1.22 0.00 0.00 43 T 8.21 3.87 4.40 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 0.00 0.00 0.00 1.28 0.00 0.00 44 I 8.18 3.70 1.88 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 1.53 0.61 0.96 0.00 0.00 45 A 8.09 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.83 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.87 4.78 0.00 2.86 2.84 0.00 0.00 6.85 7.24 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 48 A 7.62 3.99 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 49 A 7.97 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.96 3.97 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 51 I 7.99 3.64 2.06 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 1.44 0.78 0.94 0.00 0.00 52 V 7.58 3.56 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 1.04 0.00 0.00 1.01 0.00 0.00 53 K 8.20 3.86 0.00 1.98 1.98 0.00 1.71 0.00 0.00 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.01 3.58 1.91 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.88 0.00 0.00 131 Q 8.58 3.92 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 132 A 8.09 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 M 7.72 3.85 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 134 K 7.32 3.48 0.00 1.47 1.76 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.69 7.81 135 E 8.00 3.93 0.00 2.18 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 2.32 2.41 0.00 136 V 7.91 3.57 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 1.04 0.00 0.00 0.98 0.00 0.00 137 T 8.36 3.93 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 1.41 0.00 0.00 138 A 8.30 4.08 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.92 4.22 0.00 4.07 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 0.00 140 L 7.39 4.27 0.00 1.82 1.79 0.95 0.87 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 0.00 141 V 7.93 4.19 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 0.78 0.00 0.00 1.07 0.00 0.00 142 G 7.59 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 0.00 0.00 0.00 143 P 0.00 4.10 0.00 2.18 2.12 0.00 3.63 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 2.14 2.24 0.00 144 D 8.06 4.37 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.06 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.74 3.60 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 0.00 147 K 8.21 4.03 0.00 1.99 1.99 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 148 E 8.31 4.01 0.00 2.19 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 2.42 2.62 0.00 149 M 8.56 4.43 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.80 0.00 150 G 8.21 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 0.00 0.00 0.00 151 V 7.59 3.43 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.88 0.00 0.00 152 Y 7.01 4.20 0.00 3.19 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.15 4.46 0.00 3.29 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 0.00 154 D 8.56 4.42 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 7.98 3.91 0.00 3.19 3.16 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 0.00 0.00 0.00 156 I 8.03 3.80 2.10 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.89 0.65 0.00 0.00 157 C 7.98 4.06 0.00 3.11 2.97 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 0.00 158 S 8.41 4.31 0.00 3.74 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 G 7.63 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.37 4.25 0.00 1.71 1.75 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 161 S 7.49 4.44 0.00 3.90 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.