NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1237 8.0932 114.8010 57.7523 64.5075 174.2491 2 L 4.0492 8.4023 121.7559 57.6920 40.7683 178.7542 3 L 4.0162 8.3502 120.1355 58.0053 42.0800 179.1086 4 E 4.0950 8.0405 117.9814 59.1595 29.3240 179.1108 5 F 4.6370 8.4242 120.8473 61.5299 39.5986 177.5947 6 G 3.5194 8.4607 105.4558 47.4829 0.0000 175.5757 7 K 4.0601 7.8833 121.3353 59.3906 32.2334 178.7023 8 M 4.0927 8.0769 118.6907 58.6969 32.1026 178.3133 9 I 3.6103 7.7310 120.0911 64.1129 37.1730 178.2036 10 L 4.5499 7.7957 122.5015 57.8162 41.7388 178.8653 11 E 3.9938 8.0206 117.2355 59.3786 29.4511 179.0914 12 E 4.1136 8.1630 117.7560 59.3877 29.7741 178.6859 13 T 4.3756 8.2366 107.4179 61.4016 70.1277 175.6723 14 G 3.8286 8.1630 110.4252 45.2074 0.0000 173.2223 *16 K 4.3773 7.5502 117.4423 56.1093 33.5085 174.8583 17 L 4.4497 8.0981 121.2148 53.9468 42.8299 177.5477 18 A 4.0408 8.7881 126.6738 55.0177 18.3274 177.2601 19 I 4.6654 7.6879 115.0055 59.3024 38.7699 173.7726 20 P 5.1165 0.0000 0.0000 61.9188 31.5589 176.5123 21 S 4.3199 7.8492 116.7869 61.1156 62.6692 174.7136 22 Y 4.9261 8.6115 117.1072 57.7164 38.7126 176.2445 23 S 4.9163 8.3970 115.6546 58.6313 64.9312 174.7002 24 S 4.9070 7.8527 115.9921 58.0024 63.6895 172.3128 25 Y 4.7311 8.3380 122.7737 58.6342 40.2228 175.1064 26 G 3.3000 8.2423 117.4179 47.2658 0.0000 173.6485 27 C 4.5434 8.8186 115.4766 57.6265 41.1396 174.4383 28 Y 4.3357 8.6462 115.1545 57.8879 39.7122 175.3699 29 C 4.8432 8.4820 117.9408 59.4531 38.5175 171.3504 30 G 4.6810 8.5696 115.7301 44.5171 0.0000 175.6400 31 W 4.2648 9.3753 134.3176 59.4824 30.8697 176.3259 32 G 4.4162 6.6480 105.2702 45.9108 0.0000 174.1694 33 G 4.2181 8.3364 109.3071 45.5293 0.0000 172.4275 34 K 4.5370 7.4189 117.6775 56.2386 35.4905 176.0457 35 G 3.7834 8.4002 106.5854 45.0553 0.0000 172.1163 36 T 4.4080 7.5887 115.7806 60.9340 69.5158 173.2731 37 P 4.5662 0.0000 0.0000 63.1646 31.8385 176.7579 38 K 3.7878 9.1398 123.1564 59.0435 32.1140 176.8141 39 D 4.4973 7.4656 116.4528 50.8404 43.1973 175.4571 40 A 3.9968 8.6696 120.5286 56.1622 17.8920 179.8174 41 T 4.0266 8.0332 113.2834 66.9923 68.5500 176.2560 42 D 4.6028 9.2104 120.3106 57.3503 41.2374 178.5045 43 R 4.0280 8.2909 118.9821 59.1440 30.0025 178.2907 44 C 4.2729 8.2512 116.6930 60.2406 37.7255 175.4908 45 C 4.3068 8.1460 118.1005 59.6038 37.1408 175.9921 46 F 3.7803 8.1908 122.5251 61.2639 39.0156 177.4438 47 V 3.3278 7.9058 117.9008 65.9571 31.2764 177.4166 48 H 3.8128 8.1346 118.0118 59.4017 29.6699 176.4916 49 D 4.1209 8.1635 120.8910 57.6173 40.6130 177.9353 50 C 3.7971 8.1486 116.8027 60.5083 34.5070 175.8046 51 C 4.1890 8.3986 119.8864 59.9917 44.3046 175.3432 52 Y 4.2156 7.9949 118.3105 60.8162 37.1344 178.5395 53 G 3.7535 7.7971 107.4140 46.8182 0.0000 174.4957 54 N 4.7104 7.5637 115.6821 53.1727 39.9396 175.1638 55 L 4.8358 7.5495 119.4911 52.3753 42.2881 174.9110 56 P 4.1534 0.0000 0.0000 66.0239 31.8976 178.3242 *59 D 4.9659 7.8766 116.4358 54.2578 42.5543 175.3658 *61 C 5.2672 7.6682 115.5596 57.3198 40.6577 172.7660 *67 N 4.9209 7.9770 116.9157 52.4044 38.6184 173.1862 68 P 3.9504 0.0000 0.0000 65.3020 32.1269 179.1344 69 K 4.0182 8.1038 117.2384 58.8568 32.1357 178.6244 70 S 4.4848 7.7463 110.5628 58.6429 64.5501 173.7390 71 D 4.4095 8.2166 121.9246 53.9511 41.1307 175.6043 72 R 4.9685 8.6402 125.4431 54.7188 31.3366 174.9893 73 Y 4.9987 7.6820 117.9579 55.1917 41.5995 174.2335 74 K 5.0155 8.5423 118.4910 55.1103 35.4402 174.9966 75 Y 5.5383 8.1923 119.5306 55.8997 40.9588 173.6306 76 K 4.6318 9.1834 119.2234 55.3345 36.8881 174.8146 77 R 4.8632 8.5055 119.6896 54.8346 31.4630 177.3189 78 V 4.1396 8.5053 125.0307 61.5893 31.4235 174.3688 79 N 4.0846 9.1161 124.3982 53.8047 35.7325 173.4768 80 G 4.2830 8.3839 108.9171 45.5817 0.0000 173.8960 81 A 4.0699 7.6653 122.9533 51.9070 18.9200 176.0771 82 I 4.5609 8.2662 124.1109 60.8608 38.4539 175.6498 83 V 4.3376 8.8981 126.9696 60.9393 34.0129 173.9445 84 C 4.8725 8.8611 126.4783 57.2258 40.4433 173.6769 85 E 4.5584 8.9131 123.9668 54.8824 30.9989 176.6093 86 K 3.9669 8.6025 123.6695 56.8775 33.3783 175.4389 *88 G 4.3691 8.3089 115.0232 45.4889 0.0000 172.2272 89 T 4.2573 8.7499 114.5928 60.8599 71.1261 175.6468 90 S 4.0620 8.4612 114.4999 61.8274 62.2743 176.6257 91 C 4.2855 8.0906 118.6459 60.0686 37.3752 175.7851 92 E 3.9365 7.9785 120.2739 59.3336 28.9951 179.2279 93 N 4.2398 8.0682 116.3581 56.4842 38.6638 177.7947 94 R 3.9092 7.7125 119.3915 58.9837 30.0458 179.2732 95 I 3.6012 7.8004 119.8450 64.3971 37.1494 177.4225 96 C 3.0680 7.4948 119.2059 59.4963 41.6544 175.4726 97 E 3.8190 7.9039 119.9171 59.5525 29.0180 178.7898 98 C 4.1848 7.9264 116.4594 60.1693 40.5879 175.9787 99 D 3.9955 8.1238 120.5192 56.8642 40.4035 178.6713 100 K 3.8219 8.5019 120.3744 59.4327 32.1176 178.6666 101 A 3.8752 7.9122 120.7538 55.0910 18.2504 179.4735 102 A 3.4682 7.7217 118.5416 54.9389 18.3845 179.6828 103 A 3.8658 7.9446 119.2070 55.4120 18.4017 179.9746 104 I 3.6334 7.5706 118.2276 64.6182 36.9385 177.8146 105 C 4.1927 8.0136 118.4273 59.6578 39.5690 175.3543 106 F 4.6380 8.1734 119.7957 60.6512 38.3413 177.6321 107 R 3.9391 8.2220 118.3668 59.5204 29.7309 178.3441 108 Q 4.1437 8.4075 118.1535 58.0273 29.2718 176.2751 109 N 5.2843 7.4970 115.7804 52.1271 39.6794 176.3146 110 L 4.1606 7.9546 122.5612 57.7863 41.8132 179.4029 111 N 4.4223 8.3925 115.9731 55.2627 37.2848 176.0687 112 T 4.5898 7.6662 106.5060 60.9916 69.1474 173.7658 113 Y 4.0636 7.9352 124.7925 58.3216 39.3507 174.9437 114 S 4.9442 8.5874 123.3486 56.5112 65.2572 175.3822 115 K 4.2306 8.6058 123.9128 58.0903 32.1969 178.9821 116 K 3.7878 7.8109 119.7892 59.0119 32.3210 176.5886 117 Y 4.6099 7.4685 115.2359 57.7319 37.8173 174.1523 118 M 4.5418 7.4552 119.9611 55.2544 33.3322 175.6418 119 L 3.7147 8.4862 124.4152 55.6009 39.9985 174.3838 120 Y 4.0399 8.1560 118.7041 56.9050 39.5498 173.8643 121 P 4.3456 0.0000 0.0000 62.3638 32.4108 176.7952 122 D 4.2500 8.9206 122.6640 57.2224 41.2418 177.7627 *124 F 4.8502 7.8346 111.0363 56.2650 39.4894 175.0510 125 L 3.9336 7.0778 120.0569 54.7415 41.6360 176.3976 126 C 4.6234 7.7399 117.8176 55.2887 34.2601 172.4606 127 K 4.6057 8.3999 125.0702 55.3091 34.6739 176.0644 128 G 4.0468 9.8959 109.5324 44.7500 0.0000 172.1776 129 E 4.8199 8.0880 115.7851 55.1233 33.4903 174.5407 130 L 4.6344 8.6735 123.1104 53.6130 45.4037 175.6528 131 K 4.4841 8.4972 124.4751 55.3127 34.0867 177.3828 *133 C 4.7981 8.4673 116.8284 57.5298 41.5252 173.9860 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 S 8.09 5.12 0.00 4.16 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 0.00 2 L 8.40 4.05 0.00 1.76 1.90 1.20 0.56 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 3 L 8.35 4.02 0.00 1.80 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.04 4.10 0.00 1.73 1.83 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 1.82 2.30 0.00 5 F 8.42 4.64 0.00 3.33 3.30 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 6 G 8.46 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 7 K 7.88 4.06 0.00 1.99 2.17 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.51 7.81 8 M 8.08 4.09 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 9 I 7.73 3.61 1.78 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.09 0.58 0.00 0.00 10 L 7.80 4.55 0.00 1.85 1.83 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.02 3.99 0.00 2.22 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 2.40 2.66 0.00 12 E 8.16 4.11 0.00 2.13 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 2.51 2.45 0.00 13 T 8.24 4.38 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 1.25 0.00 0.00 14 G 8.16 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 *16 K 7.55 4.38 0.00 1.82 1.60 0.00 1.39 0.00 0.00 0.96 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.26 7.81 17 L 8.10 4.45 0.00 1.83 1.61 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.79 4.04 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 19 I 7.69 4.67 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.96 0.00 0.00 20 P 0.00 5.12 0.00 2.19 2.14 0.00 3.37 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.85 4.32 0.00 3.69 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 22 Y 8.61 4.93 0.00 2.79 2.73 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 23 S 8.40 4.92 0.00 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.85 4.91 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.34 4.73 0.00 3.12 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.24 3.30 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 27 C 8.82 4.54 0.00 3.03 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 28 Y 8.65 4.34 0.00 3.36 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 29 C 8.48 4.84 0.00 3.60 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.57 4.68 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 0.00 0.00 0.00 31 W 9.38 4.26 0.00 3.27 3.29 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 32 G 6.65 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.34 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.42 4.54 0.00 1.87 1.81 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.40 7.81 35 G 8.40 3.78 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 0.00 0.00 0.00 36 T 7.59 4.41 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 37 P 0.00 4.57 0.00 1.86 2.06 0.00 3.35 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.87 0.00 38 K 9.14 3.79 0.00 0.79 0.74 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.83 0.23 7.81 39 D 7.47 4.50 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.67 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.03 4.03 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 42 D 9.21 4.60 0.00 2.99 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 43 R 8.29 4.03 0.00 2.11 1.97 0.00 3.14 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 44 C 8.25 4.27 0.00 3.26 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 45 C 8.15 4.31 0.00 3.39 3.54 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 46 F 8.19 3.78 0.00 2.52 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 47 V 7.91 3.33 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.07 0.00 0.00 48 H 8.13 3.81 0.00 3.13 3.27 0.00 5.66 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 49 D 8.16 4.12 0.00 2.75 2.57 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 50 C 8.15 3.80 0.00 2.71 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 51 C 8.40 4.19 0.00 2.90 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 52 Y 7.99 4.22 0.00 3.10 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 53 G 7.80 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 0.00 0.00 0.00 54 N 7.56 4.71 0.00 2.65 2.82 0.00 0.00 6.78 8.91 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 55 L 7.55 4.84 0.00 1.50 1.50 0.86 0.82 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 56 P 0.00 4.15 0.00 2.18 2.30 0.00 3.78 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 2.05 1.98 0.00 *59 D 7.88 4.97 0.00 2.72 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 *61 C 7.67 5.27 0.00 3.02 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 *67 N 7.98 4.92 0.00 2.80 2.76 0.00 0.00 7.60 8.03 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 68 P 0.00 3.95 0.00 1.12 0.49 0.00 3.30 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.00 69 K 8.10 4.02 0.00 1.83 1.86 0.00 1.49 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.56 7.81 70 S 7.75 4.48 0.00 3.94 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 71 D 8.22 4.41 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.64 4.97 0.00 1.81 1.76 0.00 3.23 0.00 0.00 3.98 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 73 Y 7.68 5.00 0.00 3.02 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 74 K 8.54 5.02 0.00 1.76 1.91 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.36 7.81 75 Y 8.19 5.54 0.00 3.11 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 76 K 9.18 4.63 0.00 1.79 1.86 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 77 R 8.51 4.86 0.00 1.73 1.94 0.00 3.39 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 78 V 8.51 4.14 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 0.82 0.00 0.00 0.95 0.00 0.00 79 N 9.12 4.08 0.00 2.91 2.89 0.00 0.00 7.41 7.65 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 80 G 8.38 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 0.00 0.00 0.00 0.00 81 A 7.67 4.07 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 82 I 8.27 4.56 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.86 0.00 0.00 83 V 8.90 4.34 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 1.01 0.00 0.00 1.01 0.00 0.00 84 C 8.86 4.87 0.00 2.86 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 85 E 8.91 4.56 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 86 K 8.60 3.97 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.45 7.81 *88 G 8.31 4.37 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 0.00 89 T 8.75 4.26 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 90 S 8.46 4.06 0.00 3.89 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 91 C 8.09 4.29 0.00 2.98 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 92 E 7.98 3.94 0.00 2.25 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 0.00 2.59 2.57 0.00 93 N 8.07 4.24 0.00 2.87 2.81 0.00 0.00 7.01 7.40 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 94 R 7.71 3.91 0.00 1.74 1.91 0.00 3.11 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 95 I 7.80 3.60 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 1.21 0.74 0.95 0.00 0.00 96 C 7.49 3.07 0.00 1.94 2.85 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 97 E 7.90 3.82 0.00 2.09 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 2.42 2.43 0.00 98 C 7.93 4.18 0.00 3.22 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 99 D 8.12 4.00 0.00 2.78 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 0.00 100 K 8.50 3.82 0.00 1.70 1.89 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 7.91 3.88 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 0.00 102 A 7.72 3.47 1.05 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 0.00 103 A 7.94 3.87 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 0.00 104 I 7.57 3.63 1.94 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 0.66 0.88 0.00 0.00 105 C 8.01 4.19 0.00 2.95 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 0.00 106 F 8.17 4.64 0.00 3.09 2.69 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 0.00 0.00 0.00 0.00 107 R 8.22 3.94 0.00 1.95 2.11 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.41 4.14 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.50 5.28 0.00 2.84 2.85 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.95 4.16 0.00 1.83 1.75 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.39 4.42 0.00 2.91 3.12 0.00 0.00 5.90 7.22 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 0.00 112 T 7.67 4.59 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 1.27 0.00 0.00 113 Y 7.94 4.06 0.00 3.13 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 0.00 114 S 8.59 4.94 0.00 3.92 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 0.00 115 K 8.61 4.23 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.57 7.81 116 K 7.81 3.79 0.00 1.46 1.32 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 1.19 7.81 117 Y 7.47 4.61 0.00 2.12 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 0.00 0.00 0.00 118 M 7.46 4.54 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 119 L 8.49 3.71 0.00 1.87 1.75 0.93 0.90 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 0.00 120 Y 8.16 4.04 0.00 2.99 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 0.00 121 P 0.00 4.35 0.00 1.94 2.16 0.00 2.39 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 122 D 8.92 4.25 0.00 2.69 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 *124 F 7.83 4.85 0.00 3.22 3.13 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 0.00 125 L 7.08 3.93 0.00 1.24 1.51 0.23 0.39 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 0.00 126 C 7.74 4.62 0.00 3.16 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 0.00 127 K 8.40 4.61 0.00 1.73 1.61 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.41 7.81 128 G 9.90 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 0.00 129 E 8.09 4.82 0.00 1.95 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 2.27 2.29 0.00 130 L 8.67 4.63 0.00 1.36 1.30 0.84 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.50 4.48 0.00 1.90 1.74 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.49 7.81 *133 C 8.47 4.80 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.