NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 K 4.2003 8.3144 121.7895 56.3300 34.0241 175.5072 52 H 4.5626 8.0640 117.2169 52.7739 30.8149 168.7548 53 V 4.3032 8.6925 127.2972 59.5881 34.1188 175.0538 54 E 4.1925 8.4317 123.3367 55.2821 30.2606 175.0273 55 P 4.5291 0.0000 0.0000 62.1287 32.1430 177.7367 56 Q 4.0158 8.5587 118.5215 59.0230 28.8695 176.7974 57 D 4.6823 7.9924 116.4112 52.8594 39.7748 175.4552 58 A 4.5819 7.2797 121.4733 52.6310 18.7870 177.4987 59 I 4.5383 8.0333 119.4338 59.8664 41.2115 174.0625 60 S 4.5163 8.5149 122.6582 56.7012 64.2505 173.0699 61 P 4.0997 0.0000 0.0000 66.0673 31.0215 178.5356 62 D 4.3961 8.2498 117.4299 57.6354 40.8955 178.7967 63 N 4.3720 8.3367 116.8439 56.2594 38.7007 176.7575 64 Y 4.0083 8.2030 121.0079 61.2548 38.7967 178.3639 65 M 4.2624 8.5457 119.6540 58.3265 31.9820 178.4565 66 D 4.3769 8.2700 119.1758 57.8151 40.8337 178.8737 67 M 4.0631 7.7174 117.2923 57.7417 31.9752 177.8576 68 L 4.3101 7.1903 115.8169 53.9218 42.1043 176.9308 69 G 3.8817 7.8304 106.9395 46.3504 0.0000 173.6352 70 L 4.3213 7.4825 120.0992 53.3494 42.4994 177.2665 71 E 4.1535 8.7015 122.7589 55.7844 30.2095 177.6225 72 A 3.9289 8.7270 124.6752 55.6447 18.6673 179.9657 73 R 3.8792 8.1632 114.2514 59.4387 30.0301 176.7621 74 D 4.8894 8.2613 115.5077 54.0526 41.0721 175.9767 75 R 4.6595 7.2876 117.8192 54.2874 32.3701 176.1850 76 T 3.8605 8.4889 119.6091 63.8372 69.2382 173.5980 77 M 4.8025 8.1148 125.1973 53.8744 35.0116 174.4329 78 Y 5.0992 9.1708 119.1566 56.4568 41.9864 174.4091 79 E 5.0809 8.6472 121.8118 54.9191 34.0597 173.2734 80 L 5.0930 9.0453 129.0321 53.5614 44.3392 174.9061 81 V 4.7635 9.1969 127.1801 61.3412 33.7662 174.0783 82 I 5.1068 8.8834 129.7246 60.1106 39.2727 174.2901 83 Y 5.0300 9.1358 124.8338 56.1246 40.7394 174.8159 84 R 4.0895 8.6382 123.8706 55.4875 30.9032 177.2113 85 K 4.0219 9.0310 127.1898 59.3040 32.2381 178.1753 86 N 4.5012 7.4704 113.5896 54.9074 38.1182 175.5463 87 D 4.4724 8.0066 118.3561 53.3517 41.5117 175.9901 88 K 3.9835 8.3245 121.0722 56.1065 33.5096 176.9766 89 D 4.7092 8.4885 125.8218 54.5367 38.7798 175.1517 90 K 4.3963 7.5032 119.4076 54.8923 34.4878 176.9793 91 G 3.9778 8.2743 108.6126 44.7360 0.0000 171.4140 92 P 3.6686 0.0000 0.0000 62.2549 31.7172 176.1315 93 W 4.4830 8.8173 131.3530 60.3900 31.0464 176.2735 94 K 4.4476 7.9561 116.9073 54.8187 36.2888 175.0373 95 R 5.0836 8.2210 121.0204 54.6173 33.0685 174.7606 96 Y 4.5774 8.9679 120.8006 55.8851 41.1107 174.4927 97 D 4.6219 8.9271 124.7132 53.9996 41.9488 175.6178 98 L 4.4700 8.6747 125.6697 54.8547 42.2787 177.2269 99 N 4.5693 8.6925 119.0053 54.6670 39.5105 177.2095 100 G 3.9329 8.6037 105.4983 45.9536 0.0000 173.2398 101 R 4.6907 8.1538 118.6208 54.3380 34.2759 175.7547 102 S 4.8473 8.3885 112.9880 60.1183 64.6573 173.4337 103 C 5.4069 7.7528 119.0962 57.8570 34.8977 172.7866 104 Y 4.8431 8.9832 121.9136 56.2152 41.5845 174.0716 105 L 4.6736 9.4977 127.7308 54.4067 43.9451 175.2805 106 V 4.7338 9.0217 126.7047 61.2911 33.8720 174.7055 107 G 4.8596 8.5832 113.1699 45.4929 0.0000 171.9047 108 R 4.4609 8.7350 121.3522 57.0968 30.2843 176.6362 109 E 4.3958 9.0351 126.8765 55.9369 31.1758 175.3883 110 L 4.2832 8.6504 125.0109 56.9518 44.1932 179.0006 111 G 3.8309 7.8844 109.8113 46.6677 0.0000 174.6553 *122 T 4.2755 8.9488 118.9314 62.5631 70.3945 173.6671 123 E 4.1546 7.9752 121.4326 56.1987 30.1520 176.2941 124 I 4.0970 8.0653 123.5614 60.2199 38.1643 175.8915 125 V 3.7943 8.3701 125.5568 62.8165 31.7380 175.3389 126 V 4.1915 8.4152 125.9342 63.3670 33.6848 175.5644 127 A 4.4603 7.7298 120.9057 51.4690 19.6122 176.8288 128 D 4.5536 8.7784 120.6440 56.9095 42.0387 176.7274 129 I 3.8750 8.2235 122.2556 59.3896 38.8649 175.0333 130 G 4.5336 8.5991 114.9442 44.2449 0.0000 171.8437 131 I 4.3325 8.3192 126.1841 58.2241 39.7030 175.1118 132 P 4.9958 0.0000 0.0000 61.2899 29.6511 176.6171 133 E 4.5501 7.5052 118.6872 53.9963 31.5000 175.3792 134 E 3.9637 9.0210 127.3644 59.3197 29.5923 178.5587 135 T 4.3897 7.7588 105.9619 61.5289 69.7749 174.9568 136 S 4.5555 7.9085 117.4977 57.7082 64.3191 174.3824 137 S 4.4501 8.6132 117.8018 58.1938 63.7216 175.7274 138 K 4.0540 8.7213 121.8628 58.9625 31.9652 176.4267 139 Q 4.6593 7.7334 117.7279 54.3507 29.1812 174.3228 140 H 4.6162 9.1723 122.5536 57.7838 31.0609 174.0581 141 C 5.1809 7.8417 111.1806 57.0229 33.3231 172.3435 142 V 4.8875 8.7302 113.1713 59.7555 34.9624 174.9306 143 I 4.7906 8.7125 124.5804 59.8303 39.3071 174.4154 144 Q 5.0792 8.9351 129.2662 54.2659 31.5612 174.3926 145 F 5.1543 9.5617 125.6311 56.8722 41.1684 175.1476 146 R 4.8070 8.9188 120.0045 54.7433 34.9264 174.1808 147 N 4.8000 9.4651 122.9188 52.8976 38.8825 174.8571 148 V 4.0800 8.8545 128.2749 61.9056 30.6151 175.8268 149 R 3.6153 9.2815 128.6118 56.9485 27.4533 177.5052 150 G 4.0540 8.8476 103.4104 45.3815 0.0000 173.6992 151 I 4.5547 7.4661 120.4126 58.7073 39.7995 174.3986 152 L 4.1783 8.3282 128.0239 55.0334 42.2990 176.0622 153 K 4.6486 9.0624 125.4282 54.5828 36.4358 174.7208 154 C 4.7206 7.9911 121.9223 57.6714 34.5998 172.1613 155 Y 5.1073 8.2519 121.5788 56.2749 42.2911 174.3815 156 V 4.7404 8.6376 122.1407 61.7786 34.2550 174.3875 157 M 5.0597 8.6930 125.5455 53.5521 35.1091 173.7185 158 D 4.5785 8.7294 126.3666 53.7602 42.6017 176.3631 159 L 4.2856 8.5277 128.7403 54.8819 40.3454 176.8483 160 D 4.2926 7.7636 114.8194 55.5805 38.5808 173.5762 161 S 4.3354 7.6876 113.0965 58.3206 64.1979 175.9026 162 S 4.2832 8.2103 117.3123 61.7016 62.7621 175.9313 163 N 4.5516 8.2044 115.9486 53.2070 39.1332 176.2380 164 G 4.1767 8.2499 102.0631 45.5327 0.0000 172.2672 165 T 4.8330 8.0769 114.4717 61.7821 71.6971 173.1012 166 C 5.0765 9.0054 123.7576 57.9724 31.0450 172.5428 167 L 4.6871 8.9577 125.7831 53.1729 43.7402 176.1737 168 N 3.9664 9.7641 127.1915 54.6575 36.4541 175.2483 169 N 4.2469 8.1802 111.0006 53.5130 37.1950 174.7056 170 V 4.0454 7.3335 119.7361 60.7172 32.3442 174.7556 171 V 4.1849 8.3069 128.0750 63.2212 31.6822 175.4289 172 I 4.1437 8.4228 122.8207 59.7424 38.6285 174.2915 173 P 4.3439 0.0000 0.0000 62.2461 31.6488 176.7403 174 G 3.5160 8.7757 112.4535 46.8008 0.0000 173.0886 175 A 3.7937 8.0859 123.0456 52.5873 16.7607 177.3918 176 R 4.5648 7.0942 113.9026 55.9789 32.9065 174.2777 177 Y 4.6467 8.3860 118.6798 57.9105 38.8435 174.7807 178 I 4.6136 8.6197 125.5397 59.0723 39.7818 174.9287 179 E 3.7884 9.0434 128.5722 56.3444 30.0261 176.0584 180 L 4.6224 8.3601 126.9822 53.5271 43.6586 176.0724 181 R 4.7265 8.5929 119.9345 54.0127 33.3223 174.6806 182 S 4.5013 8.8221 117.9053 60.2336 62.5913 174.5553 183 G 4.0694 9.6779 117.2648 44.8869 0.0000 173.3191 184 D 4.6696 8.2020 120.9847 54.5544 42.1543 175.4645 185 V 4.6409 9.0890 123.8803 61.7046 33.3609 174.3186 186 L 5.3791 9.3061 128.6499 53.2896 43.9601 175.6398 187 T 4.8825 8.6299 113.1566 59.5341 72.2870 174.0626 188 L 4.6786 8.3354 122.3493 54.3170 42.1746 176.2447 189 S 4.6856 7.2106 110.6909 57.0547 65.4530 174.3743 190 E 3.7407 8.3876 126.8911 57.9225 29.6398 176.8168 191 F 4.9100 7.4562 118.4862 55.2387 40.4101 176.3950 192 E 4.0713 8.8560 124.4869 58.5659 29.7741 178.7439 193 E 4.0413 8.2025 116.8481 58.5862 29.8556 177.0310 194 D 4.5214 8.1448 117.8341 54.8445 41.6672 175.2892 195 N 5.0521 7.6673 116.6437 52.6145 39.6429 174.1514 196 D 4.6764 9.0120 122.8586 54.4050 43.3501 175.9277 197 Y 5.2082 8.1557 114.8986 55.7622 41.4848 174.7513 198 E 4.9335 9.3649 121.0427 54.5675 32.9201 174.5942 199 L 4.9784 9.1898 124.1340 53.3239 44.0019 175.3048 200 I 4.9590 9.0352 126.1213 59.4572 39.5888 174.7615 201 F 4.9874 9.0375 130.6831 58.0557 40.7018 174.1530 202 M 4.9101 8.5754 125.5139 53.5174 35.7731 174.4783 203 N 4.6280 8.9408 120.1203 52.8033 40.5353 175.9096 204 V 3.4767 8.0466 114.6231 62.0296 32.4380 173.0600 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 51 K 8.31 4.20 0.00 1.74 2.08 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 52 H 8.06 4.56 0.00 3.21 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.69 4.30 2.04 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 0.77 0.00 0.00 0.90 0.00 0.00 54 E 8.43 4.19 0.00 1.97 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 2.56 2.34 0.00 55 P 0.00 4.53 0.00 2.27 1.89 0.00 3.59 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.03 0.00 56 Q 8.56 4.02 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.32 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 57 D 7.99 4.68 0.00 3.09 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 58 A 7.28 4.58 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 59 I 8.03 4.54 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.66 1.03 0.00 0.00 60 S 8.51 4.52 0.00 4.06 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 61 P 0.00 4.10 0.00 2.08 2.12 0.00 3.42 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.00 62 D 8.25 4.40 0.00 2.75 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 63 N 8.34 4.37 0.00 2.93 2.89 0.00 0.00 6.70 7.10 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 64 Y 8.20 4.01 0.00 3.15 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 65 M 8.55 4.26 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.12 0.00 66 D 8.27 4.38 0.00 2.99 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 67 M 7.72 4.06 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 68 L 7.19 4.31 0.00 1.77 1.65 0.84 0.71 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 69 G 7.83 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 70 L 7.48 4.32 0.00 1.61 1.63 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.70 4.15 0.00 2.03 1.86 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 2.39 2.30 0.00 72 A 8.73 3.93 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 73 R 8.16 3.88 0.00 1.77 1.98 0.00 3.22 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 74 D 8.26 4.89 0.00 2.68 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 75 R 7.29 4.66 0.00 1.89 1.83 0.00 3.38 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 76 T 8.49 3.86 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 0.51 0.00 0.00 77 M 8.11 4.80 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 78 Y 9.17 5.10 0.00 3.00 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 79 E 8.65 5.08 0.00 1.98 1.66 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 2.21 2.35 0.00 80 L 9.05 5.09 0.00 1.83 1.60 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 81 V 9.20 4.76 2.23 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 0.73 0.00 0.00 0.98 0.00 0.00 82 I 8.88 5.11 2.28 0.00 0.00 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 1.43 0.86 1.35 0.00 0.00 83 Y 9.14 5.03 0.00 3.01 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 84 R 8.64 4.09 0.00 1.85 1.77 0.00 3.06 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.94 0.00 85 K 9.03 4.02 0.00 1.59 1.78 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.32 7.81 86 N 7.47 4.50 0.00 2.84 2.85 0.00 0.00 7.00 7.94 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 87 D 8.01 4.47 0.00 2.70 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 88 K 8.32 3.98 0.00 1.72 1.75 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.60 7.81 89 D 8.49 4.71 0.00 2.72 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 90 K 7.50 4.40 0.00 1.82 1.83 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 91 G 8.27 3.98 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 0.00 0.00 0.00 92 P 0.00 3.67 0.00 1.91 1.34 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.84 0.00 93 W 8.82 4.48 0.00 3.34 3.55 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 94 K 7.96 4.45 0.00 1.49 1.29 0.00 0.87 0.00 0.00 1.33 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.27 7.81 95 R 8.22 5.08 0.00 1.52 1.72 0.00 3.16 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 96 Y 8.97 4.58 0.00 2.98 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 97 D 8.93 4.62 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.67 4.47 0.00 1.76 1.83 1.13 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.69 4.57 0.00 2.69 3.07 0.00 0.00 6.88 8.59 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 0.00 100 G 8.60 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 0.00 0.00 0.00 101 R 8.15 4.69 0.00 0.98 1.35 0.00 2.65 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 102 S 8.39 4.85 0.00 4.02 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 0.00 103 C 7.75 5.41 0.00 3.30 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 0.00 104 Y 8.98 4.84 0.00 2.96 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 0.00 105 L 9.50 4.67 0.00 1.84 1.55 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.02 4.73 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 0.86 0.00 0.00 0.94 0.00 0.00 107 G 8.58 4.86 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 0.00 108 R 8.74 4.46 0.00 2.09 1.88 0.00 3.29 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 109 E 9.04 4.40 0.00 2.09 1.81 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 2.26 2.33 0.00 110 L 8.65 4.28 0.00 1.70 1.68 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.88 3.83 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 0.00 0.00 0.00 *122 T 8.95 4.28 4.25 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 1.22 0.00 0.00 123 E 7.98 4.15 0.00 1.97 1.89 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 2.33 2.29 0.00 124 I 8.07 4.10 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 1.31 0.50 0.92 0.00 0.00 125 V 8.37 3.79 2.10 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 0.88 0.00 0.00 0.96 0.00 0.00 126 V 8.42 4.19 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 0.89 0.00 0.00 0.99 0.00 0.00 127 A 7.73 4.46 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 0.00 128 D 8.78 4.55 0.00 2.78 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 0.00 129 I 8.22 3.88 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.70 0.59 0.00 0.00 130 G 8.60 4.53 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 0.00 131 I 8.32 4.33 1.80 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 1.20 1.27 0.69 0.00 0.00 132 P 0.00 5.00 0.00 1.92 1.99 0.00 2.20 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 2.00 0.00 133 E 7.51 4.55 0.00 1.94 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 2.32 2.45 0.00 134 E 9.02 3.96 0.00 2.01 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 0.00 2.34 2.35 0.00 135 T 7.76 4.39 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 1.28 0.00 0.00 136 S 7.91 4.56 0.00 3.97 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 0.00 137 S 8.61 4.45 0.00 3.90 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 0.00 138 K 8.72 4.05 0.00 1.83 1.87 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.48 7.81 139 Q 7.73 4.66 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 140 H 9.17 4.62 0.00 3.49 3.41 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 7.84 5.18 0.00 3.15 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 0.00 142 V 8.73 4.89 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 0.68 0.00 0.00 0.77 0.00 0.00 143 I 8.71 4.79 1.95 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 1.03 0.76 0.67 0.00 0.00 144 Q 8.94 5.08 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.87 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 145 F 9.56 5.15 0.00 3.15 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 0.00 146 R 8.92 4.81 0.00 1.81 1.73 0.00 2.21 0.00 0.00 2.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 147 N 9.47 4.80 0.00 2.85 2.86 0.00 0.00 7.01 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 0.00 148 V 8.85 4.08 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 0.98 0.00 0.00 1.09 0.00 0.00 149 R 9.28 3.62 0.00 2.03 2.02 0.00 3.29 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 150 G 8.85 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 0.00 151 I 7.47 4.55 1.91 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 1.25 1.11 0.94 0.00 0.00 152 L 8.33 4.18 0.00 0.65 1.31 0.69 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 153 K 9.06 4.65 0.00 1.70 1.11 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.30 7.81 154 C 7.99 4.72 0.00 2.36 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 0.00 0.00 0.00 155 Y 8.25 5.11 0.00 2.86 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 0.00 156 V 8.64 4.74 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 0.88 0.00 0.00 0.92 0.00 0.00 157 M 8.69 5.06 0.00 1.88 1.38 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 158 D 8.73 4.58 0.00 2.80 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.53 4.29 0.00 1.73 1.60 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 160 D 7.76 4.29 0.00 2.72 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 0.00 161 S 7.69 4.34 0.00 3.77 3.47 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 0.00 162 S 8.21 4.28 0.00 3.89 3.94 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 0.00 163 N 8.20 4.55 0.00 2.83 2.92 0.00 0.00 7.20 7.60 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 0.00 164 G 8.25 4.18 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 0.00 165 T 8.08 4.83 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 0.00 166 C 9.01 5.08 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.96 4.69 0.00 1.67 1.50 0.94 0.60 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 0.00 168 N 9.76 3.97 0.00 2.83 2.84 0.00 0.00 7.12 8.01 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 0.00 169 N 8.18 4.25 0.00 2.88 2.96 0.00 0.00 7.05 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 0.00 170 V 7.33 4.05 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 0.85 0.00 0.00 0.92 0.00 0.00 171 V 8.31 4.18 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 0.77 0.00 0.00 0.85 0.00 0.00 172 I 8.42 4.14 1.85 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 1.44 0.67 0.94 0.00 0.00 173 P 0.00 4.34 0.00 1.92 2.00 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 174 G 8.78 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.09 3.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 R 7.09 4.56 0.00 1.84 1.78 0.00 3.06 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 177 Y 8.39 4.65 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.62 4.61 1.89 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 1.14 1.01 0.92 0.00 0.00 179 E 9.04 3.79 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.79 0.00 180 L 8.36 4.62 0.00 0.71 0.71 0.24 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.59 4.73 0.00 1.83 1.74 0.00 3.14 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 182 S 8.82 4.50 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 G 9.68 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 0.00 184 D 8.20 4.67 0.00 2.99 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 0.00 185 V 9.09 4.64 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 0.93 0.00 0.00 0.96 0.00 0.00 186 L 9.31 5.38 0.00 1.70 1.56 0.91 0.42 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 0.00 187 T 8.63 4.88 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 1.23 0.00 0.00 188 L 8.34 4.68 0.00 1.71 1.54 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 189 S 7.21 4.69 0.00 3.67 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 0.00 190 E 8.39 3.74 0.00 1.74 1.12 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 1.61 1.95 0.00 191 F 7.46 4.91 0.00 3.15 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 0.00 192 E 8.86 4.07 0.00 2.20 2.23 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 2.38 2.40 0.00 193 E 8.20 4.04 0.00 2.10 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 0.00 2.33 2.32 0.00 194 D 8.14 4.52 0.00 2.92 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 0.00 195 N 7.67 5.05 0.00 2.84 2.75 0.00 0.00 6.84 9.22 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 0.00 196 D 9.01 4.68 0.00 2.42 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 0.00 197 Y 8.16 5.21 0.00 2.73 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 0.00 198 E 9.36 4.93 0.00 2.07 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 2.43 2.41 0.00 199 L 9.19 4.98 0.00 1.65 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 200 I 9.04 4.96 2.07 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 1.25 1.10 1.06 0.00 0.00 201 F 9.04 4.99 0.00 3.10 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 0.00 202 M 8.58 4.91 0.00 1.81 1.78 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 203 N 8.94 4.63 0.00 2.43 2.56 0.00 0.00 7.11 7.43 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 0.00 204 V 8.05 3.48 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 0.44 0.00 0.00 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.