NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 M 4.4294 8.2893 120.3471 54.7023 34.2189 174.9109 12 V 4.3271 7.3480 116.8445 57.8098 33.9321 174.0639 13 S 4.3318 9.1925 117.4159 58.0822 64.4002 175.4655 14 K 4.1995 8.4089 120.8276 56.4575 32.5077 176.3398 15 I 4.3878 8.0073 122.0022 59.0992 39.9384 175.4155 16 K 2.8255 8.3979 129.1414 58.4281 32.5479 175.9359 17 N 5.4622 8.9721 114.2036 50.1018 42.8747 172.5988 18 G 4.1726 6.9998 112.1152 45.7613 0.0000 172.5180 19 T 5.0302 8.6533 121.6655 61.4562 72.2521 172.8004 20 V 4.6300 8.7044 125.5171 61.2044 34.3695 174.2109 21 I 4.7025 8.9074 129.9403 60.0251 38.8819 174.5893 22 D 5.0065 8.5888 126.9182 52.5210 44.3756 175.3305 23 H 3.9203 8.4210 114.2982 56.7661 26.2461 175.3797 24 I 4.0730 7.3516 119.3058 59.8582 38.0460 174.2568 25 P 4.4247 0.0000 0.0000 62.4750 31.7677 175.7198 26 A 4.2809 8.5010 124.5365 54.3572 18.4676 178.0172 27 G 4.0425 9.5879 111.4790 45.5624 0.0000 174.6393 28 R 4.5438 7.9233 117.5799 56.0390 30.3764 177.6825 29 A 3.8957 8.1465 124.1949 55.1935 18.3411 180.5368 30 F 4.0836 7.7075 115.6773 60.4946 39.0737 177.5872 31 A 4.1192 8.0429 120.1427 54.7634 18.2628 179.6010 32 V 3.4885 7.7404 116.9411 66.1357 31.6934 177.9646 33 L 3.9235 7.6238 118.3996 58.1327 41.5760 179.4720 34 N 4.3451 8.1055 115.6405 56.5532 38.3481 177.6696 35 V 3.6835 7.6971 117.8906 65.5934 31.5978 177.0047 36 L 4.4455 7.6784 116.2143 53.9358 41.7242 177.3599 37 G 3.8606 7.7847 106.7552 45.9991 0.0000 173.7814 38 I 4.2496 8.4822 120.9584 60.7641 37.6773 175.8649 39 K 4.6880 8.4926 135.0000 56.5064 32.5666 174.6670 *42 E 3.8303 7.3473 118.4675 56.6223 30.7147 173.9615 43 G 3.6540 8.2192 112.8099 45.4764 0.0000 174.1461 44 F 4.4630 6.9681 116.5854 55.7333 39.5745 175.9720 45 R 4.3100 8.5814 121.7447 56.7633 31.1386 175.6158 46 I 5.1999 8.2445 121.6947 59.8391 41.5552 174.2945 47 A 4.8491 9.1617 126.3167 50.2753 22.6751 175.0193 48 L 5.2861 8.4933 118.9878 53.0060 45.9133 176.4047 49 V 4.5425 8.5679 114.4167 59.6216 35.2927 174.7144 50 I 4.8415 8.1742 124.1365 59.9606 40.2143 174.9702 51 N 4.1377 9.2031 121.9441 54.5083 36.7664 174.9941 52 V 4.1971 7.4650 110.0842 60.2748 33.9300 175.9682 53 D 4.9895 8.4840 121.9038 54.6093 41.5988 176.0931 54 S 4.5831 8.7212 116.4784 56.3787 65.0891 175.1805 55 K 4.0404 9.0520 126.4661 58.9499 32.1394 178.0459 56 K 4.3215 8.0050 116.2238 57.3411 32.9230 176.9755 57 M 4.2703 8.1701 115.7667 54.7611 32.5570 175.9707 58 G 4.1359 7.9907 114.7583 44.2283 0.0000 173.2430 59 K 5.1484 7.0943 118.3453 54.0266 36.8872 174.5586 60 K 4.6941 8.5937 121.1861 56.1380 36.2995 173.6622 61 D 5.5148 9.0196 123.0113 52.5921 44.6347 175.5307 62 I 4.9702 8.4866 120.4802 59.6915 41.5980 174.5174 63 V 4.8803 8.7502 126.0866 60.9729 34.7651 174.3130 64 K 4.9971 9.2109 126.0923 54.6796 36.0253 175.1140 65 I 4.5172 8.4534 125.9023 59.2061 39.4807 174.9711 66 E 4.2363 8.5013 127.7953 57.0434 29.9747 177.1879 67 D 4.5736 9.1607 122.6890 54.4729 38.7942 173.9895 68 K 4.2593 7.5090 119.2976 54.8244 34.5100 175.4128 69 E 4.3234 8.6058 126.6485 54.5190 29.2232 176.0336 70 I 3.8396 8.0481 126.1468 61.2188 37.7682 177.5685 71 S 4.3965 8.9853 120.5766 58.1358 64.9243 175.2265 72 D 4.3688 8.5607 121.9090 57.6727 40.2412 179.1722 73 T 3.8585 7.7620 115.2505 66.7953 68.4183 175.9629 74 E 4.0832 8.3042 120.1205 59.5026 29.4644 179.5218 75 A 4.0379 8.1437 120.8559 55.1092 18.3598 179.4038 76 N 4.3806 8.4870 114.9986 56.1706 38.5920 177.5425 77 L 4.0296 7.6943 119.8868 57.5880 41.6361 179.2935 78 I 3.7662 7.7393 120.3170 64.4558 36.7501 178.3459 79 T 4.1754 7.5169 109.8441 64.4840 68.4813 176.1645 80 L 4.1420 7.7117 121.2098 56.7801 41.6394 177.7186 81 I 4.4207 7.7624 108.8394 60.3363 40.0676 175.3769 82 A 4.7192 8.4137 124.0757 49.3601 18.4062 174.5688 83 P 4.2678 0.0000 0.0000 64.9644 31.9322 178.6662 84 T 4.0850 7.8143 106.5123 62.3373 69.2886 174.5226 85 A 4.6644 7.7798 124.7796 52.3837 19.5108 176.9255 86 T 4.6951 8.6458 109.2592 59.8693 72.2047 173.0112 87 I 5.0025 8.2615 123.5258 59.6529 40.7781 173.8829 88 N 5.3336 9.1277 124.1873 51.5088 41.7380 173.4804 89 I 4.7129 8.6311 124.3385 59.7965 39.6984 174.8053 90 V 4.8167 8.9296 126.1987 61.1315 34.7512 174.3406 91 R 4.7400 8.7460 126.4544 54.4852 33.5438 175.3125 92 E 3.4301 9.3367 125.8045 57.5738 28.3779 175.0080 93 Y 3.8808 7.5411 113.4312 57.9754 37.3909 169.5290 94 E 4.6232 7.7394 120.1222 54.1115 31.3961 175.4420 95 V 4.1619 8.3647 123.3968 63.2125 31.7727 175.7721 96 V 4.3749 8.3730 120.0371 61.1930 33.3079 176.0844 97 K 4.2768 7.7009 121.8806 55.5014 35.4702 174.3906 98 K 4.7775 8.6830 128.1671 55.1059 32.2480 176.2851 99 T 3.9344 8.1607 122.6010 63.2744 69.1759 174.7692 100 K 4.2098 8.5760 127.7184 54.7610 31.7028 176.0856 101 L 4.2666 8.3328 127.0413 54.8186 42.1133 176.7018 102 E 4.7582 8.7549 121.9224 53.9158 32.8628 175.8903 103 V 3.7987 8.0995 120.4800 61.9909 32.1838 174.1480 104 P 4.5543 0.0000 0.0000 62.5355 32.3967 176.4895 105 K 4.2253 8.7089 120.0224 58.9985 33.0885 177.0963 106 V 4.9671 7.7103 117.1516 61.0105 35.0363 175.4030 107 V 4.3684 8.8711 125.6189 61.4208 34.2371 173.8409 108 K 4.9262 8.9380 127.6929 56.4987 33.2861 175.9794 109 G 4.4315 9.2396 120.5477 46.0613 0.0000 175.0178 110 I 3.8370 7.6582 119.7003 62.7620 37.3741 176.5694 111 L 4.7882 7.7004 118.8444 52.7077 43.5404 176.2614 112 K 4.4635 9.0045 123.3361 55.5778 33.0669 175.8038 113 C 4.8248 8.5179 121.6336 57.8513 32.2934 172.5738 114 P 4.1814 0.0000 0.0000 63.9455 31.5078 175.6373 115 N 4.6454 7.8289 119.8643 52.1091 38.4411 173.6381 116 P 4.3337 0.0000 0.0000 64.8471 31.5745 176.4875 117 Y 4.5362 8.3559 116.3084 57.8102 38.2675 175.0311 118 C 4.3931 7.9997 122.1858 58.5421 32.6042 174.0437 119 I 3.6001 8.6540 126.9127 64.4859 37.5140 177.7272 120 T 4.2037 7.5264 107.8603 63.4724 68.6044 174.7539 121 S 4.6155 7.9172 116.8199 58.6412 63.2253 174.2786 122 N 4.7911 8.0924 116.2442 52.6990 41.2221 173.9346 123 D 4.8464 7.7386 117.8287 51.9735 42.7096 176.9309 124 V 3.6526 8.5298 120.4721 64.5171 31.6650 177.0987 125 E 4.1109 8.5937 117.0917 57.3063 29.7144 177.2226 126 A 4.2377 7.5464 123.6565 50.5696 17.3580 174.9512 127 I 4.0511 7.7529 121.0608 60.2025 38.2073 174.6212 128 P 4.4091 0.0000 0.0000 63.8262 32.5826 175.4164 129 T 5.2358 8.5698 119.3888 62.0270 72.9542 172.5552 130 F 5.0445 9.2374 124.9737 55.4151 42.3423 174.0866 131 K 5.0118 8.7326 125.0151 54.6965 34.1674 175.5782 132 T 4.3096 8.7916 125.1021 64.4159 68.4190 173.2346 133 L 4.6193 9.1430 128.8336 56.3831 43.6740 176.6640 134 T 4.7300 7.5837 107.7837 59.6421 71.5023 174.5639 135 E 4.0420 8.7823 123.3859 58.9840 29.4450 177.6230 136 K 4.0493 7.3177 118.7191 57.4441 32.5081 174.7476 137 P 4.3813 0.0000 0.0000 62.1950 32.2440 176.1152 138 L 4.4089 8.5515 125.9287 54.9765 43.1898 175.3723 139 K 5.0433 8.8667 125.8246 54.9033 35.5411 175.2991 140 M 5.3458 9.4668 123.3420 53.5149 36.4642 174.3996 141 R 5.2096 9.2300 121.3449 54.3197 33.7312 174.1823 142 C 3.4790 8.7958 127.0334 59.6073 31.8442 174.4274 143 E 3.9098 8.5490 126.0217 58.6309 29.5036 177.7941 144 Y 4.1393 7.8922 115.9979 59.6453 38.8355 175.9413 145 C 4.6872 7.7154 110.7583 57.0294 30.8004 174.6323 146 E 3.7958 8.4516 118.6161 57.1467 27.4527 174.4563 147 T 4.1396 7.3933 116.1749 63.9004 69.5321 173.3352 148 I 5.0762 8.4311 126.5398 59.8855 39.1694 175.0390 149 I 4.7548 9.1434 119.6211 59.1567 41.0711 174.4095 150 D 5.2398 8.2480 122.9244 50.8622 42.3311 176.5092 151 E 3.8740 8.8172 117.9853 59.6546 29.3711 178.2823 152 N 4.3316 8.1193 115.9085 56.3346 38.6819 176.8560 153 E 3.9532 8.8922 121.1074 58.9804 29.3729 178.6637 154 I 3.5707 7.8429 120.0596 64.9146 37.2695 178.3722 155 M 4.0958 8.4674 119.9282 58.0863 31.5975 178.4267 156 S 4.4084 7.9493 112.1930 59.8860 63.6450 176.0159 157 Q 4.0923 7.9648 122.0553 58.8141 28.2431 177.7433 158 I 4.1416 7.4627 120.0483 63.4443 37.3792 177.3658 159 L 4.6655 7.7633 116.9825 54.7885 41.4120 177.3003 160 G 3.7250 7.6827 113.3986 45.8669 0.0000 172.8781 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 11 M 8.29 4.43 0.00 1.98 2.15 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 2.48 2.54 0.00 12 V 7.35 4.33 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 0.80 0.00 0.00 0.93 0.00 0.00 13 S 9.19 4.33 0.00 4.03 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 14 K 8.41 4.20 0.00 1.87 1.97 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.42 7.81 15 I 8.01 4.39 1.85 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 1.21 0.78 0.88 0.00 0.00 16 K 8.40 2.83 0.00 1.52 1.53 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.09 0.55 7.81 17 N 8.97 5.46 0.00 2.85 2.57 0.00 0.00 7.00 7.46 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 18 G 7.00 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 0.00 0.00 0.00 0.00 19 T 8.65 5.03 4.14 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 1.20 0.00 0.00 20 V 8.70 4.63 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 1.04 0.00 0.00 0.91 0.00 0.00 21 I 8.91 4.70 1.83 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 1.08 0.48 0.89 0.00 0.00 22 D 8.59 5.01 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.42 3.92 0.00 3.32 3.40 0.00 5.94 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.35 4.07 1.95 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 1.27 0.68 0.88 0.00 0.00 25 P 0.00 4.42 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 26 A 8.50 4.28 1.25 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 0.00 0.00 27 G 9.59 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.92 4.54 0.00 1.95 1.92 0.00 3.13 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 29 A 8.15 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.71 4.08 0.00 3.22 3.18 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 31 A 8.04 4.12 1.38 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 0.00 0.00 32 V 7.74 3.49 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 0.99 0.00 0.00 0.97 0.00 0.00 33 L 7.62 3.92 0.00 2.00 1.80 0.90 1.15 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 34 N 8.11 4.35 0.00 2.97 2.90 0.00 0.00 6.72 7.25 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 35 V 7.70 3.68 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 0.84 0.00 0.00 0.94 0.00 0.00 36 L 7.68 4.45 0.00 1.83 1.69 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.78 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 38 I 8.48 4.25 1.94 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 1.51 0.87 1.09 0.00 0.00 39 K 8.49 4.69 0.00 1.89 1.93 0.00 1.83 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.26 7.81 *42 E 7.35 3.83 0.00 1.86 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 2.17 2.27 0.00 43 G 8.22 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 44 F 6.97 4.46 0.00 3.20 3.10 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 0.00 0.00 0.00 0.00 45 R 8.58 4.31 0.00 1.90 1.93 0.00 3.17 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 46 I 8.24 5.20 1.93 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.98 0.00 0.00 47 A 9.16 4.85 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 48 L 8.49 5.29 0.00 1.40 1.39 0.54 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.57 4.54 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 0.90 0.00 0.00 50 I 8.17 4.84 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 1.01 0.00 0.00 51 N 9.20 4.14 0.00 2.83 2.89 0.00 0.00 6.98 7.33 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 52 V 7.47 4.20 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 0.67 0.00 0.00 0.97 0.00 0.00 53 D 8.48 4.99 0.00 2.55 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 54 S 8.72 4.58 0.00 3.83 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 55 K 9.05 4.04 0.00 1.77 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 56 K 8.01 4.32 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.45 7.81 57 M 8.17 4.27 0.00 2.00 2.18 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 2.57 2.53 0.00 58 G 7.99 4.14 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 0.00 0.00 0.00 59 K 7.09 5.15 0.00 1.59 1.67 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.34 7.81 60 K 8.59 4.69 0.00 1.75 1.56 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.44 7.81 61 D 9.02 5.51 0.00 2.54 2.40 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 0.00 62 I 8.49 4.97 1.82 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 1.18 0.92 0.87 0.00 0.00 63 V 8.75 4.88 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 0.94 0.00 0.00 0.82 0.00 0.00 64 K 9.21 5.00 0.00 1.74 1.61 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 65 I 8.45 4.52 1.66 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.31 0.00 0.00 66 E 8.50 4.24 0.00 2.03 1.88 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 2.31 2.43 0.00 67 D 9.16 4.57 0.00 2.92 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 68 K 7.51 4.26 0.00 1.22 1.12 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.07 1.32 7.81 69 E 8.61 4.32 0.00 1.96 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 0.00 2.21 2.28 0.00 70 I 8.05 3.84 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.29 0.88 0.00 0.00 71 S 8.99 4.40 0.00 4.05 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 72 D 8.56 4.37 0.00 2.74 2.76 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 73 T 7.76 3.86 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 74 E 8.30 4.08 0.00 2.02 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 0.00 2.34 2.34 0.00 75 A 8.14 4.04 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 76 N 8.49 4.38 0.00 2.74 2.99 0.00 0.00 7.01 7.29 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 77 L 7.69 4.03 0.00 1.85 1.72 0.99 0.62 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 78 I 7.74 3.77 2.07 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 1.57 0.58 0.90 0.00 0.00 79 T 7.52 4.18 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 1.27 0.00 0.00 80 L 7.71 4.14 0.00 1.75 1.76 0.92 0.74 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 81 I 7.76 4.42 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 1.34 0.82 0.91 0.00 0.00 82 A 8.41 4.72 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 83 P 0.00 4.27 0.00 2.18 2.20 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 84 T 7.81 4.09 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 85 A 7.78 4.66 1.30 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 86 T 8.65 4.70 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 87 I 8.26 5.00 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 0.89 0.00 0.00 88 N 9.13 5.33 0.00 2.66 2.66 0.00 0.00 6.53 7.78 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 89 I 8.63 4.71 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 1.23 1.01 0.91 0.00 0.00 90 V 8.93 4.82 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 1.10 0.00 0.00 0.91 0.00 0.00 91 R 8.75 4.74 0.00 1.74 1.74 0.00 3.53 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 92 E 9.34 3.43 0.00 2.09 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 2.25 2.36 0.00 93 Y 7.54 3.88 0.00 3.24 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 94 E 7.74 4.62 0.00 2.17 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 2.32 2.40 0.00 95 V 8.36 4.16 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 0.79 0.00 0.00 0.94 0.00 0.00 96 V 8.37 4.37 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 0.76 0.00 0.00 0.97 0.00 0.00 97 K 7.70 4.28 0.00 1.78 1.59 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 98 K 8.68 4.78 0.00 1.67 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.54 1.45 7.81 99 T 8.16 3.93 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 100 K 8.58 4.21 0.00 1.70 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 101 L 8.33 4.27 0.00 1.67 1.59 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.75 4.76 0.00 1.91 1.82 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 2.22 2.19 0.00 103 V 8.10 3.80 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 0.82 0.00 0.00 0.93 0.00 0.00 104 P 0.00 4.55 0.00 2.39 2.04 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 105 K 8.71 4.23 0.00 1.75 1.90 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.44 7.81 106 V 7.71 4.97 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 0.81 0.00 0.00 0.94 0.00 0.00 107 V 8.87 4.37 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 0.97 0.00 0.00 0.97 0.00 0.00 108 K 8.94 4.93 0.00 1.72 1.76 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 109 G 9.24 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.66 3.84 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 1.44 0.87 0.91 0.00 0.00 111 L 7.70 4.79 0.00 1.55 1.29 0.70 0.77 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 0.00 112 K 9.00 4.46 0.00 1.81 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.38 7.81 113 C 8.52 4.82 0.00 3.20 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 0.00 114 P 0.00 4.18 0.00 2.26 2.27 0.00 4.03 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.20 0.00 115 N 7.83 4.65 0.00 2.84 2.84 0.00 0.00 6.85 7.59 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 0.00 116 P 0.00 4.33 0.00 1.83 2.03 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 117 Y 8.36 4.54 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 0.00 118 C 8.00 4.39 0.00 3.04 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.65 3.60 1.84 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 1.39 0.92 0.61 0.00 0.00 120 T 7.53 4.20 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 0.69 0.00 0.00 121 S 7.92 4.62 0.00 3.99 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 0.00 122 N 8.09 4.79 0.00 2.64 2.77 0.00 0.00 6.70 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 0.00 123 D 7.74 4.85 0.00 2.60 2.43 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 0.00 0.00 0.00 0.00 124 V 8.53 3.65 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 0.75 0.00 0.00 0.92 0.00 0.00 125 E 8.59 4.11 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 2.32 2.24 0.00 126 A 7.55 4.24 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.75 4.05 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 1.42 0.71 0.95 0.00 0.00 128 P 0.00 4.41 0.00 2.31 2.19 0.00 3.56 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 129 T 8.57 5.24 4.35 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 1.35 0.00 0.00 130 F 9.24 5.04 0.00 3.11 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 0.00 131 K 8.73 5.01 0.00 1.94 1.65 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 132 T 8.79 4.31 4.27 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 1.23 0.00 0.00 133 L 9.14 4.62 0.00 1.68 1.78 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.58 4.73 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 0.00 135 E 8.78 4.04 0.00 1.99 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 2.33 0.00 136 K 7.32 4.05 0.00 1.75 1.69 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 137 P 0.00 4.38 0.00 2.18 2.06 0.00 3.77 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 1.99 1.95 0.00 138 L 8.55 4.41 0.00 1.80 1.60 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.87 5.04 0.00 1.73 1.68 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.53 7.81 140 M 9.47 5.35 0.00 2.08 1.94 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 2.52 2.50 0.00 141 R 9.23 5.21 0.00 1.84 1.73 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 142 C 8.80 3.48 0.00 2.49 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 0.00 143 E 8.55 3.91 0.00 1.62 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 144 Y 7.89 4.14 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 C 7.72 4.69 0.00 3.10 3.17 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 0.00 146 E 8.45 3.80 0.00 2.17 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 2.21 2.40 0.00 147 T 7.39 4.14 4.36 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 1.33 0.00 0.00 148 I 8.43 5.08 1.92 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 1.46 0.76 1.00 0.00 0.00 149 I 9.14 4.75 1.74 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.68 0.92 0.00 0.00 150 D 8.25 5.24 0.00 2.80 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 0.00 151 E 8.82 3.87 0.00 2.09 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 2.37 2.46 0.00 152 N 8.12 4.33 0.00 2.92 2.84 0.00 0.00 6.78 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 0.00 153 E 8.89 3.95 0.00 2.06 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 2.28 2.47 0.00 154 I 7.84 3.57 1.99 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 1.37 0.59 0.88 0.00 0.00 155 M 8.47 4.10 0.00 2.01 2.10 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 2.73 2.65 0.00 156 S 7.95 4.41 0.00 4.03 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 0.00 157 Q 7.96 4.09 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 158 I 7.46 4.14 1.86 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 1.51 1.14 0.92 0.00 0.00 159 L 7.76 4.67 0.00 1.63 1.70 0.93 0.67 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 0.00 160 G 7.68 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.