NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4544 0.0000 0.0000 62.3415 32.9331 175.7682 6 T 4.0598 8.5423 123.2965 62.9487 69.6008 172.3419 7 K 4.6426 9.9008 127.7763 56.1106 33.8018 176.0275 8 V 4.1255 8.6675 128.2096 60.8771 35.1834 173.6041 *10 V 4.1720 8.1653 118.3628 62.8989 32.7277 175.0690 11 A 4.7460 8.5773 130.6890 51.4118 19.0042 176.8299 12 V 4.5162 8.8127 116.6030 59.5695 35.5442 174.6712 13 N 5.0729 8.4361 119.5659 51.3118 41.4178 172.8165 14 A 4.8207 8.3930 120.3434 50.8699 20.1518 177.3861 15 S 4.3722 8.6549 115.4612 58.4050 63.0320 174.5260 16 T 4.3704 8.3077 115.8804 62.0104 69.8297 175.2733 17 I 4.2414 7.6565 114.1875 62.0692 39.2214 176.5231 18 K 4.1397 7.7362 119.8610 55.2500 32.7847 176.5202 19 D 4.4838 8.5543 121.9291 54.3767 41.7827 175.1610 20 Y 4.4941 8.4702 126.1319 57.3234 39.2478 173.7498 21 P 4.7670 0.0000 0.0000 62.3660 32.1965 175.3942 22 N 4.0480 7.7429 116.7942 53.4420 38.9568 173.3851 23 P 4.6831 0.0000 0.0000 62.0595 32.3353 176.3713 24 S 4.4101 8.6566 115.0115 58.3893 63.7159 175.3598 25 I 3.7020 8.5187 124.2546 64.8202 36.7743 179.0460 26 S 4.1516 8.5672 115.2051 61.6603 62.8416 176.3084 27 C 4.1658 8.1041 118.1908 60.4271 29.3970 175.7669 28 K 4.3138 8.4051 122.3355 59.5171 31.8581 178.5377 29 R 4.0102 8.4686 119.1299 59.5399 29.9635 178.1582 30 A 4.0487 8.3836 120.5992 55.1625 18.3527 179.3536 31 F 4.0924 8.7554 119.3889 61.6852 39.6021 177.0981 32 E 3.9551 8.9906 118.6342 59.1719 29.2780 179.2560 33 W 4.0189 8.8385 128.7393 60.7060 30.7598 178.0573 34 T 3.9340 8.2684 115.6656 66.7295 67.9011 176.3783 35 L 3.6958 7.6483 120.7409 57.7736 41.3808 179.5896 36 E 3.7287 7.7552 116.8562 59.3187 29.5654 179.0330 37 K 3.8158 7.5947 116.5316 57.4582 32.3737 178.2756 38 I 3.9609 6.9407 118.1848 63.1555 38.5068 177.9533 39 V 2.7183 7.0418 118.2902 65.0480 31.6731 176.3899 40 R 3.4354 8.0046 118.6122 57.6179 29.3281 177.6937 41 S 4.3504 8.5781 117.4304 60.5534 64.3740 174.9674 42 N 4.7653 7.9943 122.4215 52.5466 36.7144 175.8735 43 T 4.2239 7.6304 108.5722 63.6590 69.9797 176.9213 44 S 4.3774 8.0096 116.9953 60.3239 63.4604 174.4301 45 D 4.5071 8.0927 119.0670 54.8837 41.0683 175.6824 46 F 5.3364 7.7622 116.5931 55.5429 43.4946 174.0434 47 K 4.8001 9.2244 122.0937 55.0166 35.6748 174.8163 48 I 4.7731 8.8299 128.5171 60.0851 39.0729 174.6248 49 L 5.1901 9.1819 128.2241 53.2463 43.2690 175.9189 50 L 4.4680 9.0909 125.7945 52.9874 43.5550 175.6028 51 L 4.2243 8.2186 126.2302 53.0387 44.9756 174.2670 52 H 5.3155 8.4258 125.8354 53.5135 32.4441 172.6160 53 V 4.5842 8.1233 125.4514 61.3542 32.9668 174.3795 54 Q 4.3514 8.8292 130.0459 54.2701 30.7772 175.9462 55 V 3.9821 8.0126 126.3147 62.8371 32.0889 175.6119 *66 S 4.0804 7.9113 111.9597 57.8539 63.2772 172.4343 67 I 4.5850 7.7032 126.8660 59.5643 40.4396 174.0915 68 Y 4.3761 8.6922 121.6294 56.1950 40.0673 175.2867 69 A 4.7472 8.7668 125.8229 51.4408 20.4501 175.4404 70 S 4.7075 7.4878 108.6453 55.6578 65.5811 174.8149 71 P 4.5243 0.0000 0.0000 65.7605 30.9165 178.4401 72 E 4.0217 7.7978 115.3197 59.5930 29.2177 178.6960 73 D 4.3461 7.7551 118.1415 57.3441 40.8708 178.4751 74 F 4.3979 8.0377 117.2958 60.2235 38.9568 177.8335 75 R 4.2103 7.9805 116.6774 59.2087 30.4927 181.1480 76 D 4.5590 8.3756 120.2014 53.9352 40.6379 178.1534 *78 R 4.3516 7.8577 116.2763 56.0206 31.8806 176.1046 79 Q 4.4278 7.8089 116.3549 55.3903 29.4180 176.5211 80 S 4.3964 7.7665 113.8337 58.0679 65.1847 174.3597 81 N 4.4984 8.5774 119.5152 56.1811 38.1326 177.9036 82 K 3.9755 8.0055 119.3042 59.3583 32.3085 178.7837 83 A 3.9229 8.1865 120.9692 55.2670 18.2559 179.4169 84 K 4.1729 8.5343 117.4074 59.9669 32.2659 179.2902 85 G 3.7158 8.5998 105.7861 48.0353 0.0000 175.6300 86 L 4.0631 8.2518 121.9702 57.8031 41.6554 179.3082 87 H 4.2555 8.1455 116.1996 58.5764 28.0762 177.6758 88 L 3.8933 7.7840 121.9251 58.2053 41.9543 178.9853 89 L 4.1229 7.8712 118.8074 57.9140 41.5972 179.0992 90 E 3.9270 8.6222 119.5642 59.0977 29.5454 178.5913 91 F 3.8349 7.9951 120.2330 61.4819 39.4538 177.2424 92 F 3.9336 7.8544 116.4665 60.0238 38.5835 178.1170 93 V 3.6917 8.1161 118.3947 66.0066 31.2712 177.8741 94 N 4.3088 8.2071 116.2842 56.1815 38.3919 177.4415 95 K 4.0400 7.7312 119.7119 59.7739 32.1621 179.2192 96 C 4.4008 8.4608 116.9446 63.1415 27.9793 175.5889 97 H 4.1862 8.6658 120.2163 59.2587 29.1649 177.1629 98 E 3.9876 8.2973 120.0356 58.8438 29.4608 178.4671 99 I 4.2508 7.3321 108.5192 60.3939 38.2245 176.3856 100 G 3.8154 7.5660 108.8980 45.9356 0.0000 173.2443 101 V 4.0285 7.7696 119.7602 61.4520 32.3416 176.3764 102 G 4.0485 8.7868 115.2961 46.9488 0.0000 171.8381 103 C 5.5510 8.4762 116.3497 56.9729 33.0690 172.9364 104 E 5.0218 9.6390 119.1922 54.7448 33.2700 174.6553 105 A 5.3165 8.8484 124.4808 50.2102 22.5266 174.8407 106 W 5.1719 8.5149 117.3913 55.7982 32.3315 173.1419 107 I 5.0359 8.5691 120.2375 59.5348 39.4045 175.3663 108 K 4.9806 8.7692 124.2781 54.8242 36.3289 175.0537 109 T 4.8682 8.8926 111.2770 60.8146 71.2531 173.7241 110 G 3.6479 7.8006 108.4701 44.6338 0.0000 173.0257 111 D 4.3865 8.6899 121.1411 53.1901 42.0677 175.5784 112 P 4.1825 0.0000 0.0000 65.8019 31.3493 178.6435 113 K 3.9598 7.7653 116.7679 59.9367 32.4165 178.5042 114 D 4.3486 7.3123 119.2907 57.0557 41.2063 178.4070 115 V 3.6286 8.2194 119.2011 65.9335 31.4375 177.8497 116 I 3.7133 8.1236 120.0028 64.8301 37.1215 178.1662 117 C 4.2335 8.0441 117.0793 63.0014 28.0320 176.2110 118 Q 4.0921 8.6150 120.0678 59.0814 28.2977 178.8098 119 E 4.1280 8.8552 120.0259 59.1018 29.5411 179.2166 120 V 3.6544 8.2042 119.0882 66.1385 31.3898 178.2217 121 K 4.1577 7.8079 115.6234 59.0070 32.5801 178.7749 122 R 4.0799 7.5240 119.3790 59.2653 30.3477 177.9431 123 V 3.7670 8.3233 116.4044 62.8329 33.0477 175.8571 124 R 3.7924 7.8404 115.7211 56.5278 27.6034 173.7654 125 P 4.5921 0.0000 0.0000 62.4124 32.8142 177.2349 126 D 4.7859 8.8379 120.2563 57.3279 41.1577 176.4804 127 F 5.1900 7.8432 110.2674 55.6803 41.3654 173.2695 128 L 4.6385 9.3111 121.8498 53.2816 44.5062 174.9138 129 V 4.5968 8.2943 126.0428 61.5209 33.4732 174.6122 130 V 4.7535 8.3102 120.5707 59.3271 35.3200 175.8094 131 G 4.2436 8.6174 111.4490 46.3879 0.0000 172.4234 132 S 4.7711 8.5449 113.0749 57.2953 65.6440 175.2572 133 R 4.1008 8.9511 124.9918 56.5086 30.7278 176.4152 134 G 3.8575 8.0026 106.4992 46.7518 0.0000 174.5161 135 L 4.5669 8.0016 115.8711 54.2181 41.4182 177.7585 136 G 3.8838 7.8495 112.3453 46.6449 0.0000 175.6633 *145 T 4.2898 6.8591 110.5134 61.0379 71.5408 176.3317 146 V 3.5820 7.6052 120.4273 65.1383 32.0697 178.6514 147 S 4.1537 8.0768 113.3664 61.5205 62.9512 176.0748 148 A 4.0233 8.0091 123.9891 54.5958 18.0752 179.3034 149 F 4.0275 8.1392 119.2709 61.6062 39.5411 177.1616 150 C 4.1736 8.3738 116.3901 62.9693 27.7593 176.1933 151 V 3.6112 7.4972 118.3706 65.9148 31.0926 177.7370 152 K 3.9418 7.6436 117.7395 59.2831 32.1612 177.6878 153 H 4.6166 7.8360 113.7412 55.3241 30.6519 175.2148 154 A 4.1247 7.7140 123.4320 52.8780 18.6376 176.9471 155 E 4.6485 8.5336 121.0078 55.9616 30.2659 175.6810 156 C 4.8475 7.7143 110.8955 56.2291 32.8227 171.8360 157 P 4.3707 0.0000 0.0000 63.7248 32.1533 175.8642 158 V 5.1301 8.1868 122.1617 60.4421 34.8886 173.6502 *160 T 4.3296 8.3780 108.7506 61.9164 69.8980 173.2760 161 I 4.2172 8.3685 126.6450 59.2198 39.8613 175.5639 162 K 5.0103 8.3146 126.0991 54.5743 33.5687 176.9815 163 R 4.2343 8.3085 120.4890 55.6520 31.1287 176.7260 164 N 4.5056 9.0990 117.7069 53.0270 39.5099 176.3412 165 A 3.9983 8.8143 124.5373 55.5468 18.4555 179.2259 166 D 4.6577 8.0675 112.2297 54.4600 39.8928 176.3945 167 E 4.5685 7.9946 116.7920 56.2333 30.1278 175.7108 168 T 4.2353 7.6621 117.0889 62.3564 68.9682 173.2290 169 P 4.5168 0.0000 0.0000 61.9209 32.1409 176.5977 170 S 4.0898 8.6875 115.3055 60.8582 63.0600 173.9244 171 D 4.6960 7.8496 121.0166 51.7390 41.0727 174.9237 172 P 4.3382 0.0000 0.0000 64.9464 31.6537 177.9478 173 A 4.1189 8.2211 120.9756 54.7777 18.4858 178.0280 174 D 4.4948 7.7857 115.4786 54.7793 41.7238 176.0231 175 D 4.1569 8.3694 119.9437 55.0944 41.9185 175.2905 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 5 P 0.00 4.45 0.00 1.93 2.03 0.00 3.62 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 1.91 2.10 0.00 6 T 8.54 4.06 3.86 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 1.55 0.00 0.00 7 K 9.90 4.64 0.00 1.70 1.79 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.41 7.81 8 V 8.67 4.13 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 0.36 0.00 0.00 0.98 0.00 0.00 *10 V 8.17 4.17 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 0.91 0.00 0.00 0.95 0.00 0.00 11 A 8.58 4.75 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 12 V 8.81 4.52 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 -0.08 0.00 0.00 0.82 0.00 0.00 13 N 8.44 5.07 0.00 2.72 2.89 0.00 0.00 6.04 7.83 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 14 A 8.39 4.82 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 15 S 8.65 4.37 0.00 3.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.31 4.37 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 17 I 7.66 4.24 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 1.48 0.69 0.91 0.00 0.00 18 K 7.74 4.14 0.00 1.76 1.74 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.36 7.81 19 D 8.55 4.48 0.00 2.69 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 20 Y 8.47 4.49 0.00 2.92 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 21 P 0.00 4.77 0.00 2.02 1.60 0.00 3.59 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.48 0.00 22 N 7.74 4.05 0.00 2.90 2.63 0.00 0.00 6.81 7.72 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 23 P 0.00 4.68 0.00 2.15 1.78 0.00 3.06 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.00 24 S 8.66 4.41 0.00 4.36 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 0.00 25 I 8.52 3.70 2.03 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 1.57 0.85 1.03 0.00 0.00 26 S 8.57 4.15 0.00 4.12 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 0.00 27 C 8.10 4.17 0.00 3.34 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.41 4.31 0.00 2.04 2.09 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.15 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.66 1.63 7.81 29 R 8.47 4.01 0.00 2.16 2.19 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 30 A 8.38 4.05 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 31 F 8.76 4.09 0.00 3.12 3.57 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 32 E 8.99 3.96 0.00 2.43 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 0.00 2.45 2.60 0.00 33 W 8.84 4.02 0.00 3.48 3.38 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 34 T 8.27 3.93 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 1.23 0.00 0.00 35 L 7.65 3.70 0.00 1.61 1.52 0.73 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.76 3.73 0.00 1.79 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 2.24 2.39 0.00 37 K 7.59 3.82 0.00 0.79 0.99 0.00 1.38 0.00 0.00 1.34 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.39 0.51 7.81 38 I 6.94 3.96 1.78 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 1.11 0.99 0.62 0.00 0.00 39 V 7.04 2.72 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 1.07 0.00 0.00 0.42 0.00 0.00 40 R 8.00 3.44 0.00 1.87 1.59 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.37 0.00 41 S 8.58 4.35 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 42 N 7.99 4.77 0.00 3.11 2.93 0.00 0.00 6.66 6.74 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 43 T 7.63 4.22 4.28 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 0.00 0.00 0.00 1.28 0.00 0.00 44 S 8.01 4.38 0.00 3.90 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 45 D 8.09 4.51 0.00 2.89 2.21 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 46 F 7.76 5.34 0.00 2.89 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 47 K 9.22 4.80 0.00 1.81 1.64 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 48 I 8.83 4.77 2.01 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 1.31 0.96 1.08 0.00 0.00 49 L 9.18 5.19 0.00 1.57 1.98 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.09 4.47 0.00 1.43 1.37 0.98 0.18 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 51 L 8.22 4.22 0.00 0.92 1.11 0.54 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.43 5.32 0.00 3.23 3.06 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.12 4.58 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 0.86 0.00 0.00 0.87 0.00 0.00 54 Q 8.83 4.35 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 55 V 8.01 3.98 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 0.81 0.00 0.00 0.90 0.00 0.00 *66 S 7.91 4.08 0.00 3.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.70 4.58 1.74 0.00 0.00 0.82 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 0.72 0.87 0.00 0.00 68 Y 8.69 4.38 0.00 2.78 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.77 4.75 1.23 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 0.00 0.00 70 S 7.49 4.71 0.00 4.00 3.95 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 71 P 0.00 4.52 0.00 2.25 2.21 0.00 3.68 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 2.16 2.21 0.00 72 E 7.80 4.02 0.00 2.06 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 2.56 2.39 0.00 73 D 7.76 4.35 0.00 2.74 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 74 F 8.04 4.40 0.00 3.25 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 75 R 7.98 4.21 0.00 2.03 2.04 0.00 3.27 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 76 D 8.38 4.56 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 *78 R 7.86 4.35 0.00 2.06 2.12 0.00 3.23 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 79 Q 7.81 4.43 0.00 2.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.95 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 80 S 7.77 4.40 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.58 4.50 0.00 2.93 2.93 0.00 0.00 6.82 7.68 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 82 K 8.01 3.98 0.00 1.82 1.88 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.74 7.81 83 A 8.19 3.92 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 84 K 8.53 4.17 0.00 1.94 1.98 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.55 1.50 7.81 85 G 8.60 3.72 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 0.00 0.00 0.00 86 L 8.25 4.06 0.00 1.65 1.75 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.15 4.26 0.00 3.29 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.78 3.89 0.00 1.92 1.80 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.87 4.12 0.00 2.04 1.76 0.92 0.87 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 90 E 8.62 3.93 0.00 2.15 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 0.00 2.30 2.33 0.00 91 F 8.00 3.83 0.00 2.96 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 92 F 7.85 3.93 0.00 3.09 2.59 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 0.00 0.00 0.00 0.00 93 V 8.12 3.69 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 1.15 0.00 0.00 1.05 0.00 0.00 94 N 8.21 4.31 0.00 2.91 2.70 0.00 0.00 7.02 7.18 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 95 K 7.73 4.04 0.00 2.15 2.15 0.00 1.30 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.00 1.24 7.81 96 C 8.46 4.40 0.00 3.27 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 97 H 8.67 4.19 0.00 3.35 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.30 3.99 0.00 2.23 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 2.34 2.42 0.00 99 I 7.33 4.25 1.86 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 1.76 0.66 0.96 0.00 0.00 100 G 7.57 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 4.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 102 G 8.79 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 C 8.48 5.55 0.00 3.14 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 0.00 104 E 9.64 5.02 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 105 A 8.85 5.32 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 0.00 106 W 8.51 5.17 0.00 3.43 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 0.00 107 I 8.57 5.04 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.74 0.93 0.00 0.00 108 K 8.77 4.98 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.72 2.02 7.81 109 T 8.89 4.87 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 1.26 0.00 0.00 110 G 7.80 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.69 4.39 0.00 2.73 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.13 2.05 0.00 3.57 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 113 K 7.77 3.96 0.00 1.66 1.90 0.00 1.03 0.00 0.00 1.48 0.00 0.00 2.23 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 0.21 7.81 114 D 7.31 4.35 0.00 2.82 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 0.00 115 V 8.22 3.63 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 0.83 0.00 0.00 1.06 0.00 0.00 116 I 8.12 3.71 1.94 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 1.50 0.63 0.96 0.00 0.00 117 C 8.04 4.23 0.00 3.28 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 0.00 118 Q 8.61 4.09 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 119 E 8.86 4.13 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 120 V 8.20 3.65 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.03 0.00 0.00 121 K 7.81 4.16 0.00 2.01 2.20 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.68 1.64 7.81 122 R 7.52 4.08 0.00 2.02 2.19 0.00 3.25 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 123 V 8.32 3.77 2.31 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 0.99 0.00 0.00 0.99 0.00 0.00 124 R 7.84 3.79 0.00 1.95 1.93 0.00 3.28 0.00 0.00 3.53 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 125 P 0.00 4.59 0.00 2.36 2.10 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 126 D 8.84 4.79 0.00 2.88 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 0.00 127 F 7.84 5.19 0.00 3.13 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 0.00 128 L 9.31 4.64 0.00 1.78 1.76 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.29 4.60 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 1.02 0.00 0.00 1.13 0.00 0.00 130 V 8.31 4.75 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 0.72 0.00 0.00 0.94 0.00 0.00 131 G 8.62 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 0.00 0.00 0.00 0.00 132 S 8.54 4.77 0.00 3.87 3.62 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 0.00 133 R 8.95 4.10 0.00 1.84 2.11 0.00 3.61 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 134 G 8.00 3.86 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 0.00 0.00 0.00 135 L 8.00 4.57 0.00 1.65 1.70 0.92 0.91 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 0.00 136 G 7.85 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 *145 T 6.86 4.29 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 1.21 0.00 0.00 146 V 7.61 3.58 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 1.09 0.00 0.00 0.89 0.00 0.00 147 S 8.08 4.15 0.00 4.09 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 0.00 148 A 8.01 4.02 1.37 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 0.00 0.00 149 F 8.14 4.03 0.00 3.29 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 0.00 150 C 8.37 4.17 0.00 3.24 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 0.00 151 V 7.50 3.61 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 0.76 0.00 0.00 0.97 0.00 0.00 152 K 7.64 3.94 0.00 1.81 1.53 0.00 1.69 0.00 0.00 1.42 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.04 1.30 7.81 153 H 7.84 4.62 0.00 2.70 3.04 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.71 4.12 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 0.00 155 E 8.53 4.65 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 2.27 2.30 0.00 156 C 7.71 4.85 0.00 3.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.37 0.00 2.20 2.04 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 158 V 8.19 5.13 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 1.14 0.00 0.00 1.10 0.00 0.00 *160 T 8.38 4.33 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 1.20 0.00 0.00 161 I 8.37 4.22 1.72 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 0.27 0.39 0.55 0.00 0.00 162 K 8.31 5.01 0.00 1.57 1.69 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.24 7.81 163 R 8.31 4.23 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 164 N 9.10 4.51 0.00 2.83 2.83 0.00 0.00 7.15 8.67 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 0.00 165 A 8.81 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 8.07 4.66 0.00 2.81 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 0.00 167 E 7.99 4.57 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 168 T 7.66 4.24 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 1.21 0.00 0.00 169 P 0.00 4.52 0.00 2.24 1.98 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 170 S 8.69 4.09 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 7.85 4.70 0.00 2.69 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 0.00 172 P 0.00 4.34 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 173 A 8.22 4.12 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 0.00 174 D 7.79 4.49 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.37 4.16 0.00 2.75 2.41 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 * Residues marked with a * may have inaccurate shift predictions.