NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 P 4.4022 0.0000 0.0000 62.2811 31.5996 175.4161 39 K 4.4701 7.9914 123.0303 50.9014 35.7268 173.4411 40 S 4.2242 9.1731 121.1006 61.1014 64.2697 174.8714 41 E 4.3427 8.0570 117.6863 54.7316 31.6199 175.8860 42 G 4.4104 8.8835 114.2813 46.0605 0.0000 174.8037 *43 Y 4.9691 8.6160 127.3936 56.2706 36.0382 179.4372 44 C 4.8009 8.7321 113.8570 59.0316 39.7817 174.6987 45 S 4.7521 8.0068 112.5627 59.1063 62.5843 174.7560 46 R 4.5270 8.4252 121.6253 57.5903 33.3399 176.1535 47 I 4.6516 7.7899 119.7514 60.9799 38.2038 175.4095 48 L 4.9233 8.8974 125.8458 53.4448 47.0617 174.7072 49 R 5.3443 8.0619 114.8207 54.7925 31.3780 174.9286 50 A 4.4947 8.3120 122.5225 52.0704 22.9635 174.7000 51 Q 4.4673 8.4812 117.4051 54.2773 33.8589 175.9076 *57 G 3.8837 8.1615 105.7594 45.9328 0.0000 173.1147 58 Y 4.5667 8.4841 121.2525 56.5228 40.3168 175.9942 59 T 4.1182 8.5466 115.3672 62.5676 69.4884 175.9414 60 E 3.8896 8.1685 120.3782 58.1997 29.7460 176.0352 61 F 5.5148 7.2542 118.3865 55.7572 40.9196 175.5293 62 S 4.9219 9.0384 116.7410 56.7093 66.9147 172.3661 63 L 5.3129 8.8886 124.4613 53.3850 43.6702 175.7464 64 R 4.7275 8.9690 121.9973 54.4478 33.6264 174.2405 65 V 4.5626 8.1998 120.6701 61.0214 33.3268 174.8434 66 E 4.1296 8.5286 127.8712 58.5125 29.8297 177.4752 67 G 4.0369 8.8094 111.3921 44.2219 0.0000 172.7469 68 D 4.3982 8.2864 118.9426 54.7055 38.7603 171.0811 69 P 4.8005 0.0000 0.0000 62.1471 34.2667 174.3318 70 D 4.6048 8.5533 113.7956 56.2546 44.3531 176.6633 71 F 4.4192 8.2157 119.9127 56.8262 37.9660 175.1447 72 Y 4.3686 7.3071 118.3657 57.7600 38.0848 176.9567 73 K 4.3416 9.5625 125.1729 54.7740 32.7322 174.8665 74 P 4.5578 0.0000 0.0000 63.8426 31.5562 176.5807 75 G 3.8475 8.9117 111.3465 45.4834 0.0000 172.7405 76 T 4.3062 7.3403 116.3414 61.8207 70.5035 174.1994 77 S 4.4316 8.3980 120.9464 58.3644 62.9115 172.4725 78 Y 4.8012 8.7499 126.1217 56.2513 40.4217 175.2484 79 R 4.6792 8.9789 125.0465 56.3081 31.5055 174.8608 80 V 4.9691 9.3147 127.2242 61.4859 34.3694 174.4050 81 T 5.0329 8.7314 123.4539 61.6629 72.8932 172.4043 82 L 5.0497 8.6556 127.7822 53.4624 44.3734 175.1698 83 S 5.3703 9.3488 122.3150 56.3604 66.3728 173.5636 84 A 5.5701 9.2293 123.8225 49.6806 16.7347 176.3788 85 A 4.0436 8.0819 124.4290 53.4519 19.4980 176.7731 86 P 4.6603 0.0000 0.0000 61.4011 33.7002 174.7246 87 P 4.6165 0.0000 0.0000 63.4378 30.2196 175.2564 88 S 4.9540 7.7480 111.4760 57.7674 66.1748 171.9439 89 Y 5.2154 8.0656 117.7331 55.7619 40.8738 173.7191 90 F 4.8308 9.0543 114.4005 55.3965 40.7790 174.5054 91 R 4.7793 7.9990 117.9954 56.3806 31.6106 176.6931 92 G 4.4673 7.6415 104.6263 44.9666 0.0000 171.4801 93 F 5.2264 8.9392 114.4489 56.0099 41.7305 173.2195 94 T 5.0514 8.8660 116.1067 61.8902 72.9726 172.8797 95 L 5.3792 8.8438 126.9123 53.6050 45.6783 175.0003 96 I 5.1517 9.4590 118.8336 59.1974 42.0339 174.4084 97 A 4.8216 8.6749 122.9298 50.2937 20.9708 174.6909 98 L 4.8291 8.3939 120.6444 53.5930 45.1780 177.8160 99 R 4.0918 7.9032 119.9170 56.0992 31.1239 176.1492 100 E 4.0753 8.7376 117.7935 59.4476 29.7233 177.6547 101 N 5.1828 7.5740 113.6348 52.7169 40.0415 173.0348 102 R 4.6890 7.4543 118.7136 53.5526 33.7697 175.5724 103 E 3.9052 8.6924 121.7060 59.5267 29.6987 177.6130 104 G 3.8477 8.8562 106.0268 45.5952 0.0000 175.1000 105 D 4.2412 8.2338 119.0611 56.5089 41.4005 176.5853 106 K 4.7218 7.4395 116.3452 54.1482 35.1003 176.6477 107 E 4.0961 8.6995 121.4002 58.0483 29.8421 177.6298 108 E 4.5913 8.0396 114.6060 56.4785 29.7265 175.8532 109 D 4.5450 8.0934 119.7267 55.5608 41.8078 175.5158 110 H 4.7905 8.0493 115.2245 54.8591 30.0584 173.7766 111 A 4.6702 8.6676 125.5213 50.5480 21.9813 176.7344 112 G 3.7492 8.6767 107.9518 45.7275 0.0000 172.7585 113 T 4.5639 7.3382 114.7991 62.4626 72.8032 173.8228 114 F 5.3669 9.1811 125.6918 57.3489 40.6335 175.0832 115 Q 5.0595 9.1066 120.5864 53.9802 31.9882 175.0868 116 I 4.1645 8.5658 118.1040 60.7977 38.4081 175.7175 117 I 3.8366 8.1723 126.6131 63.5639 37.6770 176.6124 118 D 4.6259 7.5912 127.2639 52.7416 39.7903 176.3226 119 E 4.2393 8.3920 121.8569 57.0205 30.3870 178.1896 120 E 4.1023 8.1672 120.8079 59.0030 30.0313 176.6180 121 E 4.8650 8.5459 114.7356 55.8363 31.7192 175.4556 122 T 5.1433 7.8773 109.8207 60.3722 71.7964 173.2802 123 Q 4.5005 8.4153 121.4596 54.9588 33.0841 173.2473 124 F 4.8900 8.5621 123.8061 57.3329 40.1535 174.9739 125 M 4.1863 8.9857 124.2121 55.7924 32.3896 177.5293 126 S 4.2167 8.9463 120.9263 60.8950 63.5574 174.5847 127 N 4.6996 7.9889 115.6888 53.5298 38.9817 176.3095 128 C 4.7893 7.7785 118.9040 54.7551 44.6603 172.1550 129 P 4.2306 0.0000 0.0000 64.0261 31.2604 178.0917 130 V 4.0401 7.6385 117.0429 61.5507 32.1985 175.1208 131 A 5.0907 8.2431 123.2583 50.5064 22.3222 175.7628 132 V 4.7187 8.2195 119.4533 61.2536 34.2941 174.8423 133 T 4.9213 8.9922 117.0669 57.9685 72.7548 172.8593 134 E 4.5539 7.5803 119.3000 56.7779 29.9472 176.9048 135 S 4.6850 8.7926 116.8564 59.7255 64.3269 174.8507 136 T 4.7248 7.5796 108.5676 59.1841 71.4810 172.3676 137 P 4.5127 0.0000 0.0000 62.8607 31.4515 176.2836 138 R 3.9686 7.8934 119.8041 57.6895 30.9743 175.8693 139 R 4.5972 8.4972 125.2886 56.7055 30.8466 175.9225 140 R 4.5923 8.9760 118.9501 55.6496 33.0092 175.1783 141 T 4.8007 8.0665 107.8921 61.8417 71.2916 173.6524 142 R 5.8148 7.6441 119.5231 56.4342 33.0551 173.6319 143 I 4.8817 8.2821 118.4265 59.2641 41.4817 173.7931 144 Q 5.0894 8.3678 119.8043 54.9256 31.8509 173.9479 145 V 4.4811 8.6986 113.4273 59.7732 36.9186 174.7016 146 F 5.3684 8.7910 120.5216 56.8329 41.5194 175.7035 147 W 5.1549 9.5037 130.4602 56.0822 33.2878 173.7199 148 I 4.2023 8.8359 129.7834 60.8447 37.5916 175.9280 149 A 2.9119 8.1613 129.7412 50.4684 19.4928 175.2465 150 P 4.5393 0.0000 0.0000 61.9987 33.2567 175.6377 151 P 4.6077 0.0000 0.0000 62.3147 32.6125 174.6134 152 A 3.8835 8.9307 124.6470 53.6733 18.0870 178.5425 153 G 3.8890 8.6852 114.6838 47.4156 0.0000 173.9549 154 T 3.9161 7.5369 113.6351 62.6039 67.8770 174.9501 155 G 3.9736 7.5620 107.7754 46.2694 0.0000 171.8900 156 C 4.8956 8.5428 115.7557 57.0238 42.3668 173.5658 157 V 4.6879 8.9136 116.2803 59.5538 35.1934 174.6304 158 I 4.6981 8.6139 122.8348 59.2812 40.9941 174.0428 159 L 4.7750 8.7146 130.7367 53.8825 43.0749 176.1849 160 K 5.2131 9.0813 122.3236 54.6037 36.3242 175.2543 161 A 5.4907 8.8641 124.7645 50.5104 22.6551 175.7743 162 S 4.3765 9.1381 114.2789 57.1669 65.5380 174.5500 163 I 4.0123 8.3076 119.9892 60.4643 38.0853 175.6532 164 V 3.7733 6.9942 121.0419 61.3097 31.7951 176.5950 165 Q 4.2968 8.3271 124.9643 53.8833 27.5354 174.3116 166 K 4.7375 7.7412 121.1812 53.7319 36.1476 176.6625 167 R 4.0070 8.5373 115.4996 58.5862 29.6812 176.7068 168 I 4.2180 7.5784 119.1465 59.5707 38.8109 175.3709 169 I 4.1160 8.1367 128.6138 60.0120 38.5730 174.2343 170 Y 5.1284 8.3234 125.0625 56.4380 39.6911 175.2730 171 F 5.0242 8.8488 121.8132 55.2952 42.2266 175.5427 172 Q 4.4593 8.8321 120.5575 56.3228 29.4093 176.1602 173 D 4.5588 8.6918 118.7130 56.5396 41.3624 176.9010 174 E 4.6734 8.5799 115.3784 54.4714 33.3578 175.2413 175 G 4.1324 8.5128 106.7197 43.3048 0.0000 174.3906 176 S 4.2493 8.5665 113.6897 60.4491 63.2998 175.2816 177 L 4.6884 7.8714 120.7737 54.6525 41.6615 175.2684 178 T 5.2122 7.9403 115.2049 61.9554 72.2621 173.6249 179 K 4.7189 8.8898 125.4609 54.3153 35.7360 175.4128 180 K 5.0128 8.6545 123.3879 55.4237 35.0816 175.4886 181 L 4.8831 8.8113 120.6029 53.9353 46.3298 175.3132 182 C 5.2691 8.6414 120.7766 56.2115 43.5726 175.1362 *183 E 3.6159 8.2902 116.1713 56.7514 29.7353 171.4463 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 38 P 0.00 4.40 0.00 2.06 2.11 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 39 K 7.99 4.47 0.00 1.79 1.51 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.06 7.81 40 S 9.17 4.22 0.00 3.97 4.02 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 41 E 8.06 4.34 0.00 2.01 1.79 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 2.23 1.87 0.00 42 G 8.88 4.41 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 0.00 *43 Y 8.62 4.97 0.00 2.34 1.73 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 44 C 8.73 4.80 0.00 3.14 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 45 S 8.01 4.75 0.00 3.97 3.96 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 46 R 8.43 4.53 0.00 1.66 1.91 0.00 3.25 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 47 I 7.79 4.65 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.60 0.85 0.00 0.00 48 L 8.90 4.92 0.00 1.31 1.55 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.06 5.34 0.00 1.91 1.96 0.00 3.12 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 50 A 8.31 4.49 1.20 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 0.00 0.00 51 Q 8.48 4.47 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 *57 G 8.16 3.88 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 0.00 0.00 0.00 58 Y 8.48 4.57 0.00 3.21 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 59 T 8.55 4.12 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 60 E 8.17 3.89 0.00 1.75 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 1.47 1.49 0.00 61 F 7.25 5.51 0.00 2.77 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 62 S 9.04 4.92 0.00 3.86 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 63 L 8.89 5.31 0.00 1.57 1.56 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.97 4.73 0.00 2.03 1.96 0.00 2.81 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 65 V 8.20 4.56 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 1.13 0.00 0.00 0.84 0.00 0.00 66 E 8.53 4.13 0.00 2.15 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 2.60 2.50 0.00 67 G 8.81 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 68 D 8.29 4.40 0.00 2.81 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 69 P 0.00 4.80 0.00 2.34 2.28 0.00 3.74 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 2.25 0.00 70 D 8.55 4.60 0.00 2.70 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.22 4.42 0.00 3.03 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 72 Y 7.31 4.37 0.00 2.85 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 73 K 9.56 4.34 0.00 2.02 1.90 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.62 7.81 74 P 0.00 4.56 0.00 2.08 2.24 0.00 3.80 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 75 G 8.91 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 76 T 7.34 4.31 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 0.67 0.00 0.00 77 S 8.40 4.43 0.00 3.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.75 4.80 0.00 3.63 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.98 4.68 0.00 2.13 1.98 0.00 3.21 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 80 V 9.31 4.97 2.29 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 1.05 0.00 0.00 1.18 0.00 0.00 81 T 8.73 5.03 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 1.21 0.00 0.00 82 L 8.66 5.05 0.00 1.55 1.23 0.67 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.35 5.37 0.00 3.77 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 84 A 9.23 5.57 1.63 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 85 A 8.08 4.04 1.29 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 0.00 0.00 86 P 0.00 4.66 0.00 2.14 2.06 0.00 3.69 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 1.84 1.79 0.00 87 P 0.00 4.62 0.00 2.22 2.18 0.00 3.68 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 1.99 1.95 0.00 88 S 7.75 4.95 0.00 3.84 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 89 Y 8.07 5.22 0.00 3.18 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 90 F 9.05 4.83 0.00 2.89 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 91 R 8.00 4.78 0.00 1.86 2.22 0.00 3.38 0.00 0.00 4.01 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 92 G 7.64 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.94 5.23 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.87 5.05 4.20 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 1.40 0.00 0.00 95 L 8.84 5.38 0.00 1.88 1.59 0.94 0.55 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 96 I 9.46 5.15 1.74 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.22 0.78 0.00 0.00 97 A 8.67 4.82 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 0.00 0.00 98 L 8.39 4.83 0.00 1.48 1.44 0.79 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.90 4.09 0.00 1.71 1.92 0.00 3.22 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 100 E 8.74 4.08 0.00 2.02 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 2.61 2.32 0.00 101 N 7.57 5.18 0.00 2.61 2.67 0.00 0.00 6.75 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 0.00 102 R 7.45 4.69 0.00 1.74 1.96 0.00 3.32 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 103 E 8.69 3.91 0.00 1.91 1.96 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 2.31 2.39 0.00 104 G 8.86 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 0.00 105 D 8.23 4.24 0.00 2.63 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 0.00 106 K 7.44 4.72 0.00 1.94 1.83 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.38 7.81 107 E 8.70 4.10 0.00 1.99 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 2.34 2.25 0.00 108 E 8.04 4.59 0.00 2.11 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 2.20 2.22 0.00 109 D 8.09 4.55 0.00 3.02 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 0.00 110 H 8.05 4.79 0.00 3.15 3.27 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.67 4.67 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 0.00 112 G 8.68 3.75 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 0.00 0.00 0.00 113 T 7.34 4.56 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 114 F 9.18 5.37 0.00 3.43 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 9.11 5.06 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 116 I 8.57 4.16 1.78 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 1.46 0.55 0.45 0.00 0.00 117 I 8.17 3.84 1.84 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.06 0.82 0.00 0.00 118 D 7.59 4.63 0.00 2.64 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 0.00 119 E 8.39 4.24 0.00 2.13 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 2.29 2.26 0.00 120 E 8.17 4.10 0.00 1.93 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 0.00 2.29 2.39 0.00 121 E 8.55 4.87 0.00 1.96 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 2.21 0.00 122 T 7.88 5.14 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 1.40 0.00 0.00 123 Q 8.42 4.50 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 124 F 8.56 4.89 0.00 3.01 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 0.00 125 M 8.99 4.19 0.00 2.33 1.96 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 126 S 8.95 4.22 0.00 4.03 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 0.00 127 N 7.99 4.70 0.00 2.72 2.88 0.00 0.00 6.62 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 0.00 128 C 7.78 4.79 0.00 2.93 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 0.00 129 P 0.00 4.23 0.00 2.05 2.10 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 130 V 7.64 4.04 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 0.46 0.00 0.00 1.02 0.00 0.00 131 A 8.24 5.09 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 0.00 132 V 8.22 4.72 1.69 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 0.83 0.00 0.00 0.33 0.00 0.00 133 T 8.99 4.92 3.88 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 1.04 0.00 0.00 134 E 7.58 4.55 0.00 2.10 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 2.29 2.49 0.00 135 S 8.79 4.69 0.00 3.75 3.93 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 0.00 136 T 7.58 4.72 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 0.00 137 P 0.00 4.51 0.00 2.21 2.18 0.00 3.78 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 138 R 7.89 3.97 0.00 1.92 1.84 0.00 3.11 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 139 R 8.50 4.60 0.00 1.54 1.50 0.00 2.23 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 140 R 8.98 4.59 0.00 1.55 1.78 0.00 2.62 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 141 T 8.07 4.80 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 142 R 7.64 5.81 0.00 1.84 1.79 0.00 3.02 0.00 0.00 3.94 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 143 I 8.28 4.88 1.60 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.26 0.78 0.00 0.00 144 Q 8.37 5.09 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 145 V 8.70 4.48 2.36 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 0.63 0.00 0.00 1.12 0.00 0.00 146 F 8.79 5.37 0.00 3.24 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 0.00 147 W 9.50 5.15 0.00 3.36 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 0.00 148 I 8.84 4.20 1.64 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 1.06 0.41 0.73 0.00 0.00 149 A 8.16 2.91 1.08 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 0.00 150 P 0.00 4.54 0.00 2.13 2.20 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 151 P 0.00 4.61 0.00 2.20 2.05 0.00 3.62 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 2.09 2.04 0.00 152 A 8.93 3.88 1.26 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 0.00 0.00 0.00 153 G 8.69 3.89 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 0.00 0.00 0.00 154 T 7.54 3.92 4.29 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 1.34 0.00 0.00 155 G 7.56 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 0.00 156 C 8.54 4.90 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 8.91 4.69 2.01 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 0.75 0.00 0.00 0.83 0.00 0.00 158 I 8.61 4.70 1.81 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 1.17 1.59 0.88 0.00 0.00 159 L 8.71 4.78 0.00 1.35 1.36 0.17 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 160 K 9.08 5.21 0.00 1.43 1.74 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.32 1.42 7.81 161 A 8.86 5.49 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 0.00 162 S 9.14 4.38 0.00 2.94 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 0.00 163 I 8.31 4.01 1.30 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.47 0.22 0.00 0.00 164 V 6.99 3.77 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 0.62 0.00 0.00 0.88 0.00 0.00 165 Q 8.33 4.30 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 166 K 7.74 4.74 0.00 1.92 1.72 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.37 7.81 167 R 8.54 4.01 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 168 I 7.58 4.22 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.45 0.00 0.00 169 I 8.14 4.12 1.83 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 1.10 0.51 0.34 0.00 0.00 170 Y 8.32 5.13 0.00 2.81 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 0.00 171 F 8.85 5.02 0.00 2.96 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 0.00 172 Q 8.83 4.46 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 173 D 8.69 4.56 0.00 2.69 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 0.00 174 E 8.58 4.67 0.00 1.91 1.80 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 2.20 2.27 0.00 175 G 8.51 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 0.00 0.00 0.00 176 S 8.57 4.25 0.00 4.03 4.16 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 0.00 177 L 7.87 4.69 0.00 1.76 1.83 0.94 0.68 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 0.00 178 T 7.94 5.21 4.39 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 1.26 0.00 0.00 179 K 8.89 4.72 0.00 1.53 1.58 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 180 K 8.65 5.01 0.00 1.81 1.74 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.43 7.81 181 L 8.81 4.88 0.00 1.74 1.98 0.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.64 5.27 0.00 2.85 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 *183 E 8.29 3.62 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.