NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8162 8.2516 119.7304 56.4878 34.1069 174.7708 2 S 3.5885 7.0320 111.0306 53.1659 66.3230 172.2876 3 Q 4.3102 9.3741 122.7291 57.0757 29.4569 177.9738 4 S 4.4436 8.3767 119.5501 61.1196 62.8869 176.2228 5 N 4.5205 8.2856 118.5892 56.4963 38.3599 177.3062 6 R 4.0441 8.0833 119.5865 59.4632 29.7943 178.2158 7 E 3.9955 8.2529 118.4659 59.3471 29.3482 179.3570 8 L 3.9128 8.0822 119.2230 57.5508 41.5421 179.6941 9 V 4.0075 8.1990 118.2903 66.1738 31.5094 178.2353 10 V 3.9617 8.1998 118.1726 66.1773 31.3665 177.4386 11 D 4.3690 8.2615 117.7812 57.3688 41.0435 178.0126 12 F 4.1173 8.6306 121.3421 61.3813 39.3862 177.1661 13 L 4.0449 8.6389 118.9630 57.8642 41.4097 179.6584 14 S 4.4240 8.6997 115.4282 61.6871 62.7686 176.1090 15 Y 4.1643 8.2497 122.2484 60.8333 38.3467 178.3110 16 K 3.6074 7.9636 119.4286 59.2714 32.0325 179.4228 17 L 4.1223 8.1544 119.7657 57.5982 41.4895 179.6231 18 S 4.4567 7.9689 115.7140 60.8675 62.7422 176.2990 19 Q 4.0488 7.4942 119.7499 57.2674 28.4312 177.3890 20 K 4.4839 7.1157 118.1845 55.3253 32.6428 176.1139 21 G 3.6328 7.8926 106.9049 46.8173 0.0000 173.4611 22 Y 4.8299 8.0151 115.7973 55.6046 41.2053 174.8629 23 S 4.8018 8.8447 116.9927 56.1652 64.2085 172.8444 24 W 4.9995 8.6688 135.0000 55.1579 32.4567 176.1372 25 S 3.5731 8.9553 122.9152 60.6593 62.1113 175.7573 26 Q 2.0000 5.7400 118.2144 55.3096 25.6291 176.5932 *27 F 4.4573 6.9048 120.7838 57.6672 40.2192 180.0730 28 S 3.8325 8.5978 113.1579 61.4730 60.6705 167.6044 *78 R 4.1749 7.5682 115.1256 56.6181 29.3888 181.3433 79 E 4.1763 8.7053 124.2186 57.0242 29.9080 177.8808 80 V 4.4673 7.3061 118.9407 59.5592 33.6185 174.9572 81 I 4.7263 8.1359 117.1889 57.7164 40.8668 173.2812 82 P 4.4830 0.0000 0.0000 62.7076 32.0361 177.4490 83 M 4.0840 8.6669 119.5748 58.3298 31.7784 178.8436 84 A 3.9292 8.0170 120.6246 55.0517 18.5599 179.2700 85 A 4.0063 8.0891 119.3065 54.8240 18.4039 180.1731 86 V 3.5647 7.5519 116.5822 66.0851 31.6783 178.0925 87 K 3.7276 8.1523 118.5973 59.5604 31.8672 179.0191 88 Q 3.8217 7.9833 119.3574 59.1557 28.9533 178.2114 89 A 4.0195 8.0880 121.8098 55.0680 18.3231 179.4198 90 L 4.0985 8.2667 119.0672 58.2160 42.1193 179.3574 91 R 4.0407 8.3619 118.5048 59.3808 29.9571 178.9124 92 E 4.0629 8.4696 118.1968 59.4084 29.4041 179.3218 93 A 4.3773 8.5567 121.0853 55.1509 18.4057 179.9175 94 G 3.9850 8.7876 104.5643 48.2306 0.0000 175.7234 95 D 4.4746 8.5656 121.4395 57.1861 41.0083 178.5248 96 E 3.9995 8.6003 119.9308 59.1307 29.6423 178.6301 97 F 4.2702 8.9274 121.2964 61.3407 39.5629 176.8143 98 E 4.0701 8.8881 119.3356 59.3507 29.2577 178.7220 99 L 4.0146 8.0823 118.3354 57.7174 41.7101 179.0768 100 R 3.9368 7.6057 117.4390 58.1157 30.1601 176.3587 101 Y 4.9963 7.7747 115.3271 57.4061 39.5274 177.4722 102 R 4.3130 8.3285 119.5090 59.0427 29.5803 178.9309 103 R 4.0533 8.1954 117.3736 58.7850 30.2410 178.1802 104 A 4.0203 8.3064 119.8834 53.9077 18.4431 177.9467 105 F 4.7647 8.1093 113.3348 56.8616 39.4444 175.9930 106 S 4.1184 7.8705 117.3127 59.6198 63.5420 174.0964 107 D 4.3714 8.9475 126.0132 54.8936 39.5717 174.5827 108 L 4.0996 8.7636 121.6624 58.1500 41.9487 179.4009 109 T 3.8803 8.0628 109.4082 64.7989 68.5473 176.3566 110 S 4.0203 7.9489 115.0052 61.0681 62.3026 175.9308 111 Q 3.8953 7.8897 119.3661 58.9990 28.4747 177.7850 112 L 4.3166 8.2049 114.3905 54.3755 42.2928 176.1010 113 H 4.0264 7.6868 115.3294 56.6463 26.7105 175.6282 114 I 3.9404 8.0330 119.7000 61.7201 37.9494 176.4410 115 T 4.7906 8.3027 113.5019 59.2475 71.9600 172.9465 116 P 4.3257 0.0000 0.0000 65.8681 31.3658 178.2510 117 G 3.8364 8.1170 104.9199 47.1374 0.0000 173.7958 118 T 4.5161 7.5292 107.0714 60.8730 70.3102 175.8159 119 A 4.0995 8.4142 125.5145 55.7140 18.3753 178.7386 120 Y 2.6178 7.9445 117.2846 60.5539 38.6807 177.9341 121 Q 3.7004 8.0172 119.6446 59.3246 29.1469 178.4718 122 S 4.0794 7.9585 115.7781 61.4409 62.8921 176.2972 123 F 4.3093 8.5144 123.6193 61.6003 39.1296 176.9164 124 E 3.7256 8.2707 118.3989 59.5289 29.2285 179.5312 125 Q 3.8580 8.0535 118.0451 58.6546 28.7321 178.9566 126 V 3.2017 7.5330 119.2103 65.9723 31.6799 178.3557 127 V 3.1753 7.1893 117.8768 65.7989 30.9907 177.7074 128 N 4.3767 7.9865 115.9056 56.2556 38.7568 176.6901 129 E 3.9739 7.9675 120.6530 58.7649 29.4584 178.4017 130 L 3.6423 7.4488 119.8340 57.3905 42.1430 178.0910 131 F 4.9591 7.3702 116.2026 56.1836 38.8888 177.3873 132 R 3.8776 7.4332 120.8391 59.2177 29.7846 177.6011 133 D 4.7989 9.2929 114.2638 51.3750 39.5093 175.1856 134 G 4.3264 6.3144 105.3810 43.9567 0.0000 173.3146 135 V 4.2438 7.2614 119.5956 60.3896 34.5949 174.6090 136 N 4.3727 7.4654 121.2285 50.3863 41.1527 175.5222 137 W 4.6608 8.9358 121.0382 60.0262 29.1226 179.0072 138 G 3.9428 8.5878 105.2938 48.0984 0.0000 175.8958 139 R 3.9748 8.9028 120.9304 58.8831 30.0135 179.2518 140 I 4.0649 7.7782 119.5465 64.3464 37.0026 178.5998 141 V 3.6934 8.1223 119.1096 65.8682 31.3476 177.9739 142 A 3.3600 7.9910 120.6588 54.7208 18.1853 179.3616 143 F 4.1363 8.5243 119.4911 61.5923 39.4784 177.4169 144 F 3.5891 8.4362 117.3192 60.4773 38.5136 177.8576 145 S 4.3510 8.4316 115.1713 61.5487 62.5348 176.5328 146 F 4.7647 9.0594 123.9294 61.5169 39.2275 177.4066 147 G 3.5139 8.2478 105.4877 47.5706 0.0000 175.9030 148 G 3.6504 8.4741 107.9788 47.6107 0.0000 175.7149 149 A 3.9485 8.2379 123.8604 54.6642 18.4162 179.4629 150 L 3.7623 7.9854 119.1640 58.2725 42.0555 179.0894 151 C 3.8568 7.9028 116.6193 62.7292 28.0992 176.2361 152 V 3.4159 7.7760 119.9163 66.1191 30.6050 177.9787 153 E 4.0328 8.4046 118.3890 59.2075 29.1658 179.5761 154 S 4.0885 7.9939 115.6324 61.4678 62.9021 176.7677 155 V 3.3879 7.5606 121.0234 65.8342 30.9330 177.5550 156 D 4.4528 7.8935 116.9110 56.3177 40.9711 177.3961 157 K 4.4421 7.1373 115.9343 55.2060 32.7146 175.7322 158 E 3.7894 8.0927 116.9393 58.3162 27.6316 174.6001 159 M 4.7979 8.0307 115.0818 54.2525 32.9969 178.2034 160 Q 3.8837 7.9937 118.9373 59.4147 27.3521 177.9494 161 V 3.6492 7.7520 113.7015 64.0039 31.5524 177.7701 162 L 3.9648 7.8893 118.2226 56.3995 41.3545 179.2905 163 V 3.0296 7.4006 119.0264 66.0704 31.4066 178.1641 164 S 4.2427 7.7704 114.1952 61.4541 62.5902 176.9352 165 R 3.3533 6.9932 118.5231 59.0863 29.7097 179.0383 166 I 2.5988 7.1296 119.5083 63.8175 36.9439 178.2737 167 A 3.8966 7.6555 121.5911 55.3073 18.1474 179.9167 168 S 4.1212 7.7725 113.5418 61.6552 62.9272 177.0631 169 W 4.5586 7.9903 121.8642 59.9163 28.6433 178.6712 170 M 4.5998 8.3801 118.8417 58.3557 31.3716 178.5233 171 A 4.1673 8.3033 120.9130 55.7139 18.5614 179.7315 172 T 3.9184 8.3708 114.4198 67.1344 68.5299 176.2559 173 Y 3.9833 8.5404 121.4163 60.4222 38.8373 177.8167 174 L 3.9195 8.4262 120.0922 58.0835 41.9890 179.3132 175 N 4.4298 8.6124 116.5677 56.2009 38.2853 176.9152 176 D 4.4347 8.1253 118.8393 55.5153 41.3903 176.9393 177 H 4.6235 7.7895 113.2543 54.4689 30.9827 174.6832 178 L 4.1993 7.2951 118.2554 55.3767 42.9849 177.7772 179 E 3.8866 8.4094 119.8286 59.0248 29.4932 177.0692 180 P 4.1806 0.0000 0.0000 65.3771 31.3776 178.4135 181 W 3.8444 7.9486 126.4434 60.3160 30.7763 177.7329 182 I 3.2480 8.0197 120.1803 64.6005 36.3632 178.2031 183 Q 4.0056 7.9959 118.9333 59.0033 28.9543 177.4117 184 E 4.0289 7.5730 118.3243 57.4958 29.7047 176.6003 185 N 4.5043 7.3152 115.7856 52.9520 38.8745 175.7181 186 G 4.3031 7.5483 105.9007 45.5334 0.0000 175.5584 187 G 3.9837 8.5231 110.5363 44.4043 0.0000 174.6292 188 W 4.3052 8.5641 117.0714 59.6127 28.9031 178.0042 189 D 4.4514 8.3948 117.9036 57.9313 40.6014 178.4493 190 T 3.9816 8.0447 116.0376 66.2659 68.4616 176.5724 191 F 3.0523 7.6997 122.2630 60.9436 39.1511 177.2225 192 V 3.4011 7.9482 117.7974 65.9235 31.1029 177.4353 193 D 4.1426 7.6760 116.5251 57.1063 41.0741 177.6570 194 L 4.2303 7.6880 118.2103 56.2621 42.1684 177.5930 195 Y 4.3842 7.9582 114.3540 57.5930 39.2367 176.0175 196 G 3.7121 8.4006 114.2339 45.6534 0.0000 173.3051 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 8.25 4.82 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 2 S 7.03 3.59 0.00 4.00 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 3 Q 9.37 4.31 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.66 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 4 S 8.38 4.44 0.00 3.99 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 5 N 8.29 4.52 0.00 3.02 3.10 0.00 0.00 6.76 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 6 R 8.08 4.04 0.00 1.96 2.13 0.00 3.26 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 7 E 8.25 4.00 0.00 2.27 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 2.34 2.57 0.00 8 L 8.08 3.91 0.00 1.84 1.33 -0.50 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.20 4.01 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 1.25 0.00 0.00 1.23 0.00 0.00 10 V 8.20 3.96 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 0.92 0.00 0.00 1.11 0.00 0.00 11 D 8.26 4.37 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.63 4.12 0.00 3.17 3.24 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 13 L 8.64 4.04 0.00 1.86 1.48 0.73 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.70 4.42 0.00 4.19 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 15 Y 8.25 4.16 0.00 3.01 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 16 K 7.96 3.61 0.00 1.60 1.65 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.61 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.79 1.32 7.81 17 L 8.15 4.12 0.00 1.95 1.81 0.68 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.97 4.46 0.00 4.07 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 19 Q 7.49 4.05 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.05 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 20 K 7.12 4.48 0.00 1.97 1.95 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.60 7.81 21 G 7.89 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.02 4.83 0.00 3.16 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 23 S 8.84 4.80 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 24 W 8.67 5.00 0.00 3.29 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 25 S 8.96 3.57 0.00 3.85 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 26 Q 5.74 2.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 *27 F 6.90 4.46 0.00 2.25 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 0.00 0.00 0.00 0.00 28 S 8.60 3.83 0.00 3.80 3.92 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 *78 R 7.57 4.17 0.00 1.76 1.94 0.00 3.22 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 79 E 8.71 4.18 0.00 1.96 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 2.32 2.25 0.00 80 V 7.31 4.47 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 0.76 0.00 0.00 0.95 0.00 0.00 81 I 8.14 4.73 1.89 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 1.70 0.78 0.97 0.00 0.00 82 P 0.00 4.48 0.00 2.24 2.22 0.00 3.71 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 2.07 1.98 0.00 83 M 8.67 4.08 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 84 A 8.02 3.93 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 85 A 8.09 4.01 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 86 V 7.55 3.56 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 0.84 0.00 0.00 1.04 0.00 0.00 87 K 8.15 3.73 0.00 1.89 1.92 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.53 7.81 88 Q 7.98 3.82 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.47 0.00 89 A 8.09 4.02 1.47 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 90 L 8.27 4.10 0.00 1.57 1.65 0.35 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.36 4.04 0.00 1.79 1.34 0.00 2.70 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.69 0.00 92 E 8.47 4.06 0.00 2.23 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 2.36 2.53 0.00 93 A 8.56 4.38 1.74 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 0.00 0.00 94 G 8.79 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 95 D 8.57 4.47 0.00 3.02 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 96 E 8.60 4.00 0.00 2.27 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 0.00 2.38 2.37 0.00 97 F 8.93 4.27 0.00 3.49 3.44 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 98 E 8.89 4.07 0.00 2.29 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 2.31 2.26 0.00 99 L 8.08 4.01 0.00 1.79 1.70 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.61 3.94 0.00 1.56 1.34 0.00 2.91 0.00 0.00 2.97 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.88 0.00 101 Y 7.77 5.00 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.33 4.31 0.00 2.07 2.57 0.00 3.06 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 103 R 8.20 4.05 0.00 1.93 2.07 0.00 3.33 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 104 A 8.31 4.02 1.06 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 0.00 0.00 0.00 0.00 0.00 105 F 8.11 4.76 0.00 3.11 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 7.87 4.12 0.00 4.00 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 0.00 107 D 8.95 4.37 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.76 4.10 0.00 1.90 1.82 1.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.06 3.88 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 1.22 0.00 0.00 110 S 7.95 4.02 0.00 3.94 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 0.00 111 Q 7.89 3.90 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 112 L 8.20 4.32 0.00 1.84 1.76 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.69 4.03 0.00 3.32 3.36 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.03 3.94 1.90 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.97 0.00 0.00 115 T 8.30 4.79 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 1.31 0.00 0.00 116 P 0.00 4.33 0.00 2.10 2.21 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 117 G 8.12 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.53 4.52 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 1.24 0.00 0.00 119 A 8.41 4.10 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 0.00 0.00 0.00 0.00 0.00 120 Y 7.94 2.62 0.00 2.16 2.68 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 0.00 0.00 0.00 0.00 121 Q 8.02 3.70 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 122 S 7.96 4.08 0.00 4.17 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 0.00 123 F 8.51 4.31 0.00 3.34 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 0.00 124 E 8.27 3.73 0.00 1.71 1.74 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 1.47 1.47 0.00 125 Q 8.05 3.86 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 126 V 7.53 3.20 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.78 0.00 0.00 127 V 7.19 3.18 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 0.07 0.00 0.00 0.31 0.00 0.00 128 N 7.99 4.38 0.00 2.68 2.81 0.00 0.00 7.01 7.21 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 0.00 129 E 7.97 3.97 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 130 L 7.45 3.64 0.00 1.24 1.25 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.37 4.96 0.00 3.14 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 0.00 132 R 7.43 3.88 0.00 1.86 2.00 0.00 3.19 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 133 D 9.29 4.80 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 6.31 4.33 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 0.00 135 V 7.26 4.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 0.43 0.00 0.00 136 N 7.47 4.37 0.00 3.09 2.84 0.00 0.00 6.16 8.88 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 0.00 137 W 8.94 4.66 0.00 3.84 3.31 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 0.00 138 G 8.59 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 0.00 0.00 0.00 139 R 8.90 3.97 0.00 2.01 1.67 0.00 3.05 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 140 I 7.78 4.06 2.27 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 1.38 0.00 0.00 141 V 8.12 3.69 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 1.06 0.00 0.00 1.15 0.00 0.00 142 A 7.99 3.36 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 0.00 143 F 8.52 4.14 0.00 3.20 3.37 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 0.00 144 F 8.44 3.59 0.00 2.88 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 0.00 145 S 8.43 4.35 0.00 4.06 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 0.00 146 F 9.06 4.76 0.00 3.24 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 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 0.00 149 A 8.24 3.95 1.50 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 0.00 150 L 7.99 3.76 0.00 1.35 1.53 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.90 3.86 0.00 3.00 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 0.00 152 V 7.78 3.42 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 1.04 0.00 0.00 0.86 0.00 0.00 153 E 8.40 4.03 0.00 2.07 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 0.00 2.34 2.51 0.00 154 S 7.99 4.09 0.00 3.87 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 0.00 155 V 7.56 3.39 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 -0.03 0.00 0.00 0.59 0.00 0.00 156 D 7.89 4.45 0.00 2.83 2.89 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 0.00 157 K 7.14 4.44 0.00 1.76 1.77 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.58 7.81 158 E 8.09 3.79 0.00 2.13 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 0.00 2.23 2.26 0.00 159 M 8.03 4.80 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.41 0.00 160 Q 7.99 3.88 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 161 V 7.75 3.65 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 0.87 0.00 0.00 0.90 0.00 0.00 162 L 7.89 3.96 0.00 1.67 1.51 0.93 0.56 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 0.00 163 V 7.40 3.03 1.55 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 -0.48 0.00 0.00 0.52 0.00 0.00 164 S 7.77 4.24 0.00 3.90 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 0.00 165 R 6.99 3.35 0.00 1.18 0.94 0.00 3.07 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 166 I 7.13 2.60 1.56 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 1.08 0.06 0.57 0.00 0.00 167 A 7.66 3.90 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 0.00 168 S 7.77 4.12 0.00 3.89 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 0.00 169 W 7.99 4.56 0.00 2.82 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 0.00 170 M 8.38 4.60 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 171 A 8.30 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.37 3.92 4.52 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 1.39 0.00 0.00 173 Y 8.54 3.98 0.00 3.55 3.44 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 0.00 174 L 8.43 3.92 0.00 2.21 1.85 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.61 4.43 0.00 2.75 2.89 0.00 0.00 7.10 8.29 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 0.00 176 D 8.13 4.43 0.00 2.42 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 0.00 177 H 7.79 4.62 0.00 1.72 2.63 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.30 4.20 0.00 1.52 1.47 -0.13 0.19 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 0.00 179 E 8.41 3.89 0.00 2.15 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 2.52 2.41 0.00 180 P 0.00 4.18 0.00 2.15 2.05 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 181 W 7.95 3.84 0.00 3.21 3.08 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 0.00 182 I 8.02 3.25 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.61 0.00 0.00 183 Q 8.00 4.01 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 184 E 7.57 4.03 0.00 1.91 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 2.09 2.20 0.00 185 N 7.32 4.50 0.00 1.44 2.02 0.00 0.00 7.19 7.69 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 0.00 186 G 7.55 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 0.00 0.00 0.00 0.00 187 G 8.52 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 0.00 188 W 8.56 4.31 0.00 3.51 3.28 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 0.00 189 D 8.39 4.45 0.00 2.87 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 0.00 190 T 8.04 3.98 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 191 F 7.70 3.05 0.00 1.51 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 V 7.95 3.40 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.10 0.00 0.00 193 D 7.68 4.14 0.00 2.74 2.82 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 0.00 194 L 7.69 4.23 0.00 1.75 1.67 1.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 195 Y 7.96 4.38 0.00 1.74 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 0.00 196 G 8.40 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.