NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9366 8.2133 109.7346 45.2893 0.0000 175.6758 4 S 3.7095 7.9010 117.6843 58.5264 63.1592 171.5002 5 G 3.8893 8.0719 113.8764 45.3957 0.0000 172.0977 6 Y 4.3234 8.4909 126.5253 57.1347 39.6900 174.9346 7 V 3.6054 7.8134 127.0898 61.0342 31.8831 173.3550 8 P 4.1552 0.0000 0.0000 64.4839 31.4432 176.7964 9 G 4.0233 8.8954 111.8379 45.2545 0.0000 174.2545 10 S 4.2934 7.9057 114.3528 59.4497 63.8288 173.8313 11 V 4.9578 8.0640 121.4892 61.3232 34.5420 174.4651 12 S 5.1851 9.1218 120.5368 56.7923 67.8565 173.0429 13 A 4.9975 8.8010 124.4966 50.5961 20.3140 176.1467 14 A 5.0349 8.8781 124.5198 51.5978 21.9185 175.7956 15 F 5.1259 9.3798 117.8409 55.7208 42.5486 174.4874 16 V 5.2931 9.1444 123.1090 60.2893 35.0434 174.0219 17 T 5.0343 8.6622 123.1007 62.1206 70.5226 173.3933 18 C 4.9621 9.4105 124.2496 57.3081 31.2626 173.6312 19 P 4.2054 0.0000 0.0000 65.4210 31.2951 176.4186 20 N 4.9602 7.6017 113.8982 50.6188 41.3478 174.8737 21 E 3.9806 8.6849 118.3013 59.2653 29.1519 178.8131 22 K 3.8463 8.1572 119.0765 59.8167 32.1923 179.4263 23 V 3.7151 8.1424 111.9565 64.1443 31.4635 178.6376 24 A 4.0585 8.1935 120.8435 55.1146 18.2524 179.8767 25 K 4.0165 8.5622 117.4636 59.4424 32.0616 179.5868 26 E 4.0037 7.8596 118.4157 59.4574 29.4305 179.2586 27 I 3.8337 7.8909 119.6491 64.4079 37.0080 178.4113 28 A 4.0587 8.1425 121.5950 55.0481 18.1664 179.8932 29 R 3.8724 8.6614 116.7169 59.3840 30.1432 178.9532 30 A 3.9870 8.5716 120.7950 55.5646 18.3993 180.1991 31 V 3.4203 8.5825 111.0134 64.4035 31.5974 179.2246 32 V 3.9547 7.8963 114.0109 63.2832 31.2957 178.1727 33 E 4.1255 8.2275 116.2522 58.2713 29.6739 178.1429 34 K 4.1914 7.7073 118.1590 55.4708 32.1863 176.7181 35 R 3.8097 7.4740 116.6208 57.1622 28.0680 177.4787 36 L 4.0846 7.8692 119.6541 56.6653 41.9722 177.0337 37 A 4.8166 7.5915 118.8309 49.8638 22.1444 176.2605 38 A 3.9607 8.4726 122.0639 54.4656 19.4611 177.7791 39 C 4.8295 7.5336 111.8784 58.8778 35.0476 173.1070 40 V 4.9257 8.5159 124.3091 61.4773 34.2975 173.6676 41 N 4.9887 9.3219 125.9546 51.5904 40.7694 173.6560 42 L 4.8913 8.5739 124.1678 53.5554 43.4271 176.0926 43 I 4.5041 8.8041 125.8300 58.9186 38.9978 173.6612 44 P 4.6932 0.0000 0.0000 62.7962 32.8291 175.6044 45 Q 3.7207 8.6580 116.7816 56.9748 25.7359 173.8009 46 I 4.3456 7.5503 110.7328 60.5242 39.9517 174.3068 47 T 5.1125 8.3725 119.7758 62.1584 70.4213 173.9628 48 S 4.9736 8.9574 122.4623 56.9812 65.8132 173.4136 49 I 5.2056 8.3599 123.3249 59.9221 40.3782 174.0074 50 Y 4.9277 7.9968 123.7934 55.8454 42.0409 173.5553 51 E 4.8276 8.8308 118.9728 55.8315 30.9224 176.5464 52 W 4.4422 9.0408 129.4516 57.0195 34.5947 175.0145 53 K 4.3523 8.6828 126.3365 55.1068 31.5784 177.3398 54 G 4.7106 7.4238 117.7850 45.8093 0.0000 173.2731 55 K 4.4790 7.2934 120.2013 55.1803 34.2849 175.6518 56 I 4.2828 8.1415 122.5206 61.2788 37.9117 174.8257 57 E 4.6594 8.8263 127.6680 54.2912 33.4215 174.2522 58 E 5.7681 8.2278 120.4745 54.1132 33.2417 174.7892 59 D 5.0023 8.6822 122.6925 52.4044 45.7575 174.5496 60 S 4.9184 8.6037 115.2335 58.3505 63.7574 172.7305 61 E 5.0314 8.9624 124.2313 55.5613 34.9012 173.7145 62 V 4.8152 9.1572 120.2285 61.1827 34.8364 173.7298 63 L 5.1283 8.8399 129.1261 53.6796 44.5665 174.6335 64 M 5.1222 9.9593 126.2569 53.7939 34.9641 174.2162 65 M 4.3831 9.0445 124.4376 53.9098 34.3861 174.5659 66 I 4.9243 8.6300 127.0608 59.4405 40.9137 174.5582 67 K 4.8764 8.7737 127.1169 55.7485 33.6161 175.9574 68 T 4.8126 8.5612 118.3860 60.9576 71.8655 172.5738 69 Q 4.3975 8.4522 122.6378 55.5901 29.6932 178.0205 70 S 4.1565 9.1942 118.5403 61.5491 62.5556 176.9419 71 S 4.0515 8.0379 114.8008 61.5222 62.3454 175.6744 72 L 4.3022 7.8528 119.3132 55.3929 41.5919 178.9361 73 V 3.5765 7.4938 119.3330 65.5418 31.4614 175.7450 74 P 4.2217 0.0000 0.0000 65.7602 31.0850 178.3221 75 A 3.9897 7.9401 118.7744 55.0761 18.2868 179.2189 76 L 3.9718 8.3824 119.2863 58.6867 42.1454 179.2361 77 T 3.8384 8.8124 116.0132 67.8857 68.3679 177.8710 78 E 3.4025 8.3172 118.6681 57.7859 30.7665 178.7050 79 F 4.3027 8.6686 121.7118 61.3864 40.0223 177.1820 80 V 3.3405 7.9608 118.0429 66.1801 30.9125 177.8025 81 R 3.8065 8.3575 117.7931 59.6801 29.7084 178.7432 82 S 4.0949 7.3753 113.0259 61.6623 62.9894 176.7240 83 V 3.8842 6.9391 111.4533 61.5284 32.6211 176.0270 84 H 4.3198 7.0248 114.5093 53.9684 28.7925 172.2892 85 P 4.0893 0.0000 0.0000 63.6356 32.1132 173.9497 86 Y 3.3358 8.1203 121.4664 57.0631 34.6537 168.1810 *88 V 3.7506 7.7058 124.4384 62.8288 31.5993 173.2029 89 A 4.0178 8.0333 126.5679 51.2159 19.0264 177.0681 90 E 4.2097 8.7637 124.6373 56.0748 30.3949 175.4097 91 V 5.0176 8.2937 126.7430 61.0380 34.5890 174.4573 92 I 4.9265 8.9546 119.9725 59.1073 41.4154 173.9800 93 A 5.2155 8.6161 124.1297 50.3555 21.7885 175.2578 94 L 4.9748 9.3138 122.8424 52.1094 45.0545 174.1174 95 P 4.8457 0.0000 0.0000 62.5784 32.7073 175.6220 96 V 4.0527 8.9739 124.7819 62.3776 32.0086 176.3736 97 E 4.3652 9.1044 127.6886 58.2243 30.2431 176.2072 98 Q 4.8024 7.5886 114.6492 54.3768 33.3040 174.5239 99 G 3.7911 7.6337 104.5870 44.9482 0.0000 172.5076 100 N 4.5401 8.1796 119.7543 52.3534 39.5491 174.7475 101 P 4.2241 0.0000 0.0000 65.2958 31.7515 176.5336 102 P 4.3087 0.0000 0.0000 66.1782 31.2352 177.8693 103 Y 4.2036 8.0637 117.4018 60.7272 38.7860 177.9345 104 L 3.8725 8.2114 120.2280 57.8144 41.7362 178.7398 105 H 4.1488 8.7173 118.7384 59.1441 29.7426 177.1340 106 W 4.1141 8.2571 129.9631 60.1225 30.2663 178.0042 107 V 2.8311 7.3968 117.5850 66.0883 31.0809 177.1949 108 H 4.1002 7.9507 117.6364 59.1854 29.5485 177.0380 109 Q 3.8592 8.2888 119.9996 59.2638 28.5779 179.1334 110 V 3.6178 7.1385 108.3693 62.8669 31.4065 176.8923 111 T 4.5000 7.0603 108.5025 60.8479 69.2913 174.2189 112 E 4.0273 7.5090 122.4177 56.9843 29.9985 176.6239 113 S 4.5432 8.1442 116.5754 57.6255 67.0490 175.1982 114 V 3.9384 8.3320 123.1151 61.7620 31.3688 175.5916 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 3 G 8.21 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 4 S 7.90 3.71 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.07 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 6 Y 8.49 4.32 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.81 3.61 1.87 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 0.81 0.00 0.00 nan 0.00 0.00 8 P 0.00 4.16 0.00 2.01 2.00 0.00 3.57 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 1.99 2.07 0.00 9 G 8.90 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 0.00 0.00 0.00 10 S 7.91 4.29 0.00 4.02 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 11 V 8.06 4.96 2.27 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 1.15 0.00 0.00 1.07 0.00 0.00 12 S 9.12 5.19 0.00 3.77 3.70 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 0.00 0.00 0.00 0.00 13 A 8.80 5.00 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 14 A 8.88 5.03 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 15 F 9.38 5.13 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.14 5.29 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 1.43 0.00 0.00 0.96 0.00 0.00 17 T 8.66 5.03 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 1.26 0.00 0.00 18 C 9.41 4.96 0.00 2.86 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 19 P 0.00 4.21 0.00 2.01 2.01 0.00 3.78 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 2.06 1.98 0.00 20 N 7.60 4.96 0.00 2.94 2.89 0.00 0.00 6.00 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 21 E 8.68 3.98 0.00 2.23 2.27 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 2.37 2.41 0.00 22 K 8.16 3.85 0.00 1.94 1.94 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.51 7.81 23 V 8.14 3.72 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 0.93 0.00 0.00 1.01 0.00 0.00 24 A 8.19 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.56 4.02 0.00 1.80 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.78 7.81 26 E 7.86 4.00 0.00 2.18 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 2.35 2.37 0.00 27 I 7.89 3.83 2.01 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 1.35 0.87 0.91 0.00 0.00 28 A 8.14 4.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.66 3.87 0.00 1.97 2.15 0.00 3.17 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 1.67 1.83 0.00 30 A 8.57 3.99 1.57 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 0.00 0.00 31 V 8.58 3.42 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 1.11 0.00 0.00 1.02 0.00 0.00 32 V 7.90 3.95 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 0.96 0.00 0.00 0.98 0.00 0.00 33 E 8.23 4.13 0.00 2.08 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 2.65 2.29 0.00 34 K 7.71 4.19 0.00 1.45 1.65 0.00 0.83 0.00 0.00 1.24 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.40 7.81 35 R 7.47 3.81 0.00 1.87 1.89 0.00 3.08 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 36 L 7.87 4.08 0.00 1.69 1.66 0.64 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.59 4.82 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.47 3.96 0.77 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 0.00 0.00 39 C 7.53 4.83 0.00 3.40 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 40 V 8.52 4.93 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 0.89 0.00 0.00 0.95 0.00 0.00 41 N 9.32 4.99 0.00 2.64 2.72 0.00 0.00 6.53 6.28 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 42 L 8.57 4.89 0.00 1.53 1.63 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.80 4.50 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.95 0.00 0.00 44 P 0.00 4.69 0.00 2.09 2.06 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 45 Q 8.66 3.72 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 46 I 7.55 4.35 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 0.94 0.00 0.00 47 T 8.37 5.11 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 48 S 8.96 4.97 0.00 3.91 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 49 I 8.36 5.21 1.91 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 1.39 0.60 0.91 0.00 0.00 50 Y 8.00 4.93 0.00 3.17 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 51 E 8.83 4.83 0.00 1.97 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 2.32 2.28 0.00 52 W 9.04 4.44 0.00 3.47 3.01 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 53 K 8.68 4.35 0.00 0.79 1.25 0.00 1.53 0.00 0.00 1.23 0.00 0.00 2.54 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.21 7.81 54 G 7.42 4.71 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 55 K 7.29 4.48 0.00 1.96 1.94 0.00 1.33 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.75 7.81 56 I 8.14 4.28 1.82 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 1.20 0.78 0.84 0.00 0.00 57 E 8.83 4.66 0.00 1.77 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 2.08 2.15 0.00 58 E 8.23 5.77 0.00 1.78 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 2.17 2.09 0.00 59 D 8.68 5.00 0.00 2.75 2.54 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 0.00 60 S 8.60 4.92 0.00 3.88 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 61 E 8.96 5.03 0.00 1.96 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 2.37 2.26 0.00 62 V 9.16 4.82 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 0.98 0.00 0.00 0.97 0.00 0.00 63 L 8.84 5.13 0.00 1.86 1.58 1.13 0.82 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 64 M 9.96 5.12 0.00 1.82 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 65 M 9.04 4.38 0.00 1.96 1.85 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 1.24 2.11 0.00 66 I 8.63 4.92 1.82 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 1.22 0.50 0.94 0.00 0.00 67 K 8.77 4.88 0.00 1.89 1.80 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.67 1.53 7.81 68 T 8.56 4.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 69 Q 8.45 4.40 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 70 S 9.19 4.16 0.00 3.82 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 71 S 8.04 4.05 0.00 3.83 3.90 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 72 L 7.85 4.30 0.00 1.93 1.63 0.93 0.55 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 73 V 7.49 3.58 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 1.14 0.00 0.00 0.94 0.00 0.00 74 P 0.00 4.22 0.00 2.19 2.10 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 2.12 2.18 0.00 75 A 7.94 3.99 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 76 L 8.38 3.97 0.00 1.91 1.87 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.81 3.84 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 78 E 8.32 3.40 0.00 2.25 2.16 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 2.33 2.49 0.00 79 F 8.67 4.30 0.00 2.92 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 80 V 7.96 3.34 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 0.88 0.00 0.00 0.94 0.00 0.00 81 R 8.36 3.81 0.00 1.93 1.93 0.00 3.18 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 82 S 7.38 4.09 0.00 3.76 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 83 V 6.94 3.88 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 0.40 0.00 0.00 0.32 0.00 0.00 84 H 7.02 4.32 0.00 3.00 2.66 0.00 5.66 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.09 0.00 1.95 1.91 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 86 Y 8.12 3.34 0.00 3.12 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 V 7.71 3.75 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 0.81 0.00 0.00 0.96 0.00 0.00 89 A 8.03 4.02 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 90 E 8.76 4.21 0.00 2.06 1.90 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 2.41 2.32 0.00 91 V 8.29 5.02 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 0.95 0.00 0.00 92 I 8.95 4.93 1.94 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 1.29 1.18 0.95 0.00 0.00 93 A 8.62 5.22 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 94 L 9.31 4.97 0.00 1.68 1.65 1.13 0.87 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 95 P 0.00 4.85 0.00 2.29 2.10 0.00 3.82 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 2.03 2.00 0.00 96 V 8.97 4.05 2.33 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 0.98 0.00 0.00 1.01 0.00 0.00 97 E 9.10 4.37 0.00 2.07 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 2.35 2.32 0.00 98 Q 7.59 4.80 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 99 G 7.63 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 0.00 0.00 0.00 100 N 8.18 4.54 0.00 2.79 2.80 0.00 0.00 6.95 7.71 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 0.00 101 P 0.00 4.22 0.00 2.24 2.15 0.00 3.71 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 2.15 2.21 0.00 102 P 0.00 4.31 0.00 2.20 2.18 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 103 Y 8.06 4.20 0.00 3.02 3.15 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 0.00 104 L 8.21 3.87 0.00 1.57 1.48 0.13 0.97 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 0.00 105 H 8.72 4.15 0.00 3.27 3.61 0.00 5.78 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 0.00 106 W 8.26 4.11 0.00 3.48 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 0.00 107 V 7.40 2.83 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 0.70 0.00 0.00 0.57 0.00 0.00 108 H 7.95 4.10 0.00 3.30 3.33 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.29 3.86 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.64 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 110 V 7.14 3.62 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 0.26 0.00 0.00 -0.09 0.00 0.00 111 T 7.06 4.50 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 112 E 7.51 4.03 0.00 1.97 1.85 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 2.12 2.41 0.00 113 S 8.14 4.54 0.00 3.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.33 3.94 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 0.68 0.00 0.00 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.