NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4376 8.1927 115.4125 57.7407 64.8097 174.2023 3 V 3.4092 8.8648 120.0434 64.7582 31.0658 176.6210 4 T 4.0079 8.6412 110.4221 64.6897 69.1801 176.1382 5 K 3.9665 7.9452 120.9200 59.1976 31.8214 179.1443 6 Q 3.9473 8.0999 119.1177 59.0535 29.0692 177.7126 7 L 4.1740 8.2519 119.3843 57.9570 41.9661 179.2380 8 L 4.1540 8.3130 119.2270 57.5634 41.4243 179.7703 9 Q 3.7865 7.9935 116.1687 56.8490 28.8411 177.6129 *11 Q 4.1710 8.0374 120.1943 55.6342 31.0300 176.8857 12 A 4.1298 8.0210 119.4812 55.5306 18.2380 179.4187 13 D 4.3589 8.4684 117.1642 57.3624 40.8576 178.7748 14 A 4.0404 8.1116 120.9290 55.3871 18.4132 178.9848 15 H 3.8268 8.4028 116.5387 59.6030 29.9275 176.9684 16 H 4.1097 8.2734 119.9856 59.3940 29.7264 177.2889 17 L 3.3829 8.1173 121.0560 56.9108 41.0294 179.2009 18 W 3.9838 8.1180 128.6476 60.3459 30.6135 178.2120 19 V 3.2052 7.6849 118.0353 65.8653 31.0006 178.1429 20 K 3.6324 7.6929 118.2052 59.4079 31.8383 179.4459 21 F 4.0104 8.1074 118.1402 60.4907 38.6082 177.5193 22 H 3.2145 7.2066 116.0482 58.0911 27.6595 177.0055 23 N 4.3383 7.1352 118.3792 57.1279 38.6015 176.3796 24 Y 4.0843 7.3680 117.8449 61.3747 37.6713 178.2194 25 H 4.4251 7.7391 119.2808 58.5663 30.0034 176.9590 26 W 4.8208 8.3037 119.9579 58.7234 29.3808 176.7395 27 N 5.3118 8.4613 113.9725 52.7903 39.6894 175.5954 28 V 4.4531 7.9505 119.7238 61.9724 32.4707 175.9291 29 K 4.7422 9.9015 121.9213 55.6436 36.6334 175.0275 30 G 3.8904 9.2125 108.1445 43.4246 0.0000 174.4521 31 L 3.9577 8.5510 120.6754 58.1765 42.1950 177.3731 32 Q 4.5000 8.0546 115.9356 56.0643 28.9770 176.9901 33 F 4.0791 8.7872 123.2287 61.8091 39.1239 177.2376 34 F 3.8827 8.4455 119.5350 61.1845 39.3186 177.0352 35 S 4.0407 8.1259 113.5026 61.5644 62.6914 176.4170 36 I 3.6020 7.6909 123.4102 64.0654 36.6444 177.7880 37 H 3.7794 7.9507 119.4666 59.2215 29.6646 177.2436 38 E 3.6418 7.8930 120.6118 59.3569 29.1705 178.6736 39 Y 3.8460 8.2066 120.2617 60.8501 38.9896 178.2128 40 T 3.6803 8.1511 110.5987 64.0350 68.8926 176.4305 41 E 2.5400 7.3581 122.7470 58.4607 29.5455 178.4895 42 K 3.6391 7.4513 119.2283 59.2589 31.9704 178.5633 43 A 3.9751 7.3836 120.3780 55.3542 18.3553 178.9604 44 Y 4.5053 7.7204 115.3066 60.1991 38.3649 177.7871 45 E 4.4432 8.0224 120.6262 59.1915 29.4531 180.0213 46 E 4.1466 8.3724 117.1471 56.6035 29.7023 178.9176 *48 A 4.1776 8.0166 123.9152 52.3949 20.8475 179.8459 49 E 4.0651 8.5290 115.3495 59.4537 29.4090 179.1644 50 L 4.1794 8.4456 120.7386 58.2943 42.2634 178.6224 51 F 4.1713 8.4375 119.9692 61.5983 39.1898 176.4799 52 D 4.2070 8.2237 117.0465 57.3695 40.9797 178.3763 53 S 3.9868 8.3834 115.9214 61.6460 62.8154 176.4253 54 C 4.0197 8.3517 119.3699 62.6827 27.9296 175.9553 55 A 3.8066 7.4989 121.6816 55.3871 17.9503 179.6751 56 E 3.8881 8.3213 117.1844 59.1815 29.4393 179.6004 57 R 3.7574 8.0335 119.2843 59.1565 30.1038 178.5789 58 V 3.5239 7.8037 118.1152 66.0864 31.4942 177.9801 59 L 4.3854 7.8139 119.8517 57.4795 41.2220 179.4972 60 Q 4.0252 7.9691 116.9425 58.7030 28.7067 178.0635 61 L 4.3918 7.5071 117.1305 54.6900 41.8372 177.6342 62 G 3.8447 7.9728 107.5566 45.1572 0.0000 172.6019 63 E 4.6142 8.0474 120.1633 53.7780 32.3358 174.4230 64 K 4.4202 8.2036 119.9425 54.5876 33.2057 177.1218 65 A 4.1258 8.2176 126.1439 51.6250 19.0659 176.9423 66 I 3.8927 8.3501 121.6329 61.6180 37.3006 176.7143 67 T 4.4072 8.4581 114.1426 61.3057 70.6057 173.4317 68 C 4.5536 7.7694 123.9134 57.5268 32.5423 174.1205 69 Q 4.0242 8.6455 125.3852 58.6584 28.6885 178.2335 70 K 4.0651 8.0917 119.0914 59.4291 32.6241 178.2859 71 V 3.7949 7.7534 118.0416 65.9351 31.1805 178.3871 72 L 3.9700 7.7737 115.3681 55.8166 41.2663 178.7753 *74 E 4.3612 8.1253 120.4363 56.3093 31.2757 176.7437 75 N 4.5531 8.1463 113.9308 54.0108 39.2120 175.5615 76 A 4.3069 7.3314 120.5957 52.3489 18.7620 177.3079 77 K 4.5206 9.3901 119.5288 55.5628 34.2240 176.9565 78 S 2.7900 7.6118 113.6806 56.2207 63.7550 172.1374 79 P 4.2109 0.0000 0.0000 62.7097 31.4789 176.7556 80 K 4.2029 8.4997 122.4369 56.1184 32.7447 176.5238 81 V 4.3973 8.3043 122.0346 61.1559 33.4579 175.0312 82 A 4.3465 8.7046 129.9661 53.8539 19.3917 177.5456 83 K 4.3247 7.9190 114.3557 56.5817 32.7373 176.0966 84 D 4.9704 7.8001 116.7596 51.7309 39.9622 174.5553 85 C 4.7244 6.7207 117.2301 59.4161 34.5340 172.7374 86 F 5.3072 8.7396 123.2732 56.2886 43.7288 174.1048 87 T 4.8247 9.1441 112.1807 59.8714 70.4624 174.1610 88 P 4.2030 0.0000 0.0000 65.7814 31.3056 178.9753 89 L 3.9309 7.8547 117.2813 57.7491 41.4450 179.2830 90 E 3.8950 8.2114 118.5612 59.3207 29.3809 179.4184 91 V 2.7794 7.5936 118.1864 65.9542 31.4805 178.1986 92 I 3.4691 7.5047 119.3556 64.0456 36.8441 178.2939 93 E 3.8628 8.1390 119.5532 59.4269 29.2504 179.4127 94 L 3.9250 7.8793 119.2041 57.7540 41.5886 179.5801 95 I 3.4534 7.6447 120.1384 64.0562 36.8661 178.1568 96 K 3.8473 7.9079 120.3457 59.8570 31.9817 178.8002 97 Q 4.0592 8.1141 118.0590 59.0090 28.5395 178.4418 98 D 4.5178 8.4935 120.2296 57.8686 40.9656 178.5939 99 Y 4.4269 8.8665 117.4784 61.0428 37.8216 178.2751 100 E 4.1166 8.8028 120.1658 59.4104 29.5716 178.6558 101 Y 3.9977 8.1590 119.5197 60.7268 38.9380 177.9932 102 L 3.7045 8.2499 119.9690 57.6930 41.7453 179.2660 103 L 4.0558 8.3777 120.2344 58.3187 42.0505 178.9465 104 A 3.9946 8.0918 120.5994 55.1029 18.1916 179.5360 105 E 3.6896 7.8415 117.1560 59.4707 29.3930 179.4974 106 F 4.2466 8.4785 118.1194 60.4913 38.8969 177.9311 107 K 4.0214 8.2860 118.2387 59.3004 31.7940 179.4879 108 K 3.9509 8.0859 118.8488 59.3443 31.9552 179.0836 109 L 3.9523 8.1341 120.6991 58.0349 42.0189 178.4948 110 N 4.2941 8.4532 117.1483 56.7561 38.9585 176.5283 111 E 3.9088 8.2179 119.6130 59.4168 29.6635 179.0624 112 A 3.9869 8.1559 120.4574 55.2460 18.3462 179.5004 113 A 3.9527 8.4621 119.3826 55.4585 18.4955 179.5167 114 E 3.9085 8.7461 117.3664 59.7719 29.3270 179.9196 115 K 4.0583 8.0084 117.1994 59.0460 32.1456 178.2560 116 E 4.3781 7.8438 115.6435 55.1328 29.7391 176.2216 117 S 3.6694 7.6989 113.9380 59.4693 61.3323 173.6459 118 D 4.6737 8.0539 120.9743 53.1214 40.0126 175.2306 119 T 3.9647 8.1054 117.1203 64.4360 69.0297 176.6129 120 T 3.8656 7.8823 118.1695 66.9607 68.6629 176.5826 121 T 4.0249 8.3060 117.3458 66.5890 68.4775 176.4262 122 A 4.0190 8.1555 122.4185 55.2957 18.4500 179.5853 123 A 3.9705 8.3536 119.4808 55.1223 18.3809 179.5974 124 F 4.1806 8.4755 118.9773 61.4608 39.4086 177.0852 125 A 3.7728 8.4596 120.7547 55.4358 18.1354 179.6521 126 Q 3.8923 8.0878 116.2901 58.5997 28.9099 178.3754 127 E 3.8121 8.0614 120.6442 59.3416 29.5959 178.6587 128 N 4.0225 7.4654 116.0619 55.7927 38.3233 177.5191 129 I 3.6758 7.6875 121.5904 64.2728 37.2229 178.2519 130 A 3.9243 8.0251 121.6369 54.8872 18.2089 179.5638 131 K 3.6201 7.5687 117.7733 59.9607 32.2325 178.7022 132 Y 4.0008 7.9597 117.0201 60.6177 37.8976 177.9655 133 E 4.0922 8.4258 119.9898 59.1004 29.3219 179.2204 134 K 4.0990 7.7862 118.5191 59.7848 32.4450 178.6652 135 S 4.3812 7.8600 113.9294 61.8334 63.0607 176.5839 136 L 4.3639 8.6579 121.9778 57.2221 41.2864 179.3195 137 W 4.5099 8.0402 124.1729 58.7360 30.3766 177.2666 *139 I 3.9556 7.7601 120.2485 60.9957 38.4777 178.1840 140 G 3.5467 8.2582 109.0454 48.4715 0.0000 175.6373 141 A 3.9211 7.6054 122.3255 54.9433 18.5391 178.9961 142 T 3.9097 7.5027 111.7572 66.4176 68.6258 175.5855 143 L 4.1626 7.5075 119.2612 56.1170 42.0891 177.3142 144 Q 4.2423 7.4734 117.2909 55.4078 29.3857 175.4182 145 G 4.0920 8.1861 107.9922 43.6799 0.0000 173.5570 146 A 4.3065 8.2941 124.2218 51.5219 19.5438 177.5964 147 C 4.3955 8.4600 113.9698 58.2860 29.8802 173.8992 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 2 S 8.19 4.44 0.00 4.12 4.09 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 3 V 8.86 3.41 2.22 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 0.91 0.00 0.00 1.03 0.00 0.00 4 T 8.64 4.01 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 1.20 0.00 0.00 5 K 7.95 3.97 0.00 1.84 1.89 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.44 7.81 6 Q 8.10 3.95 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 7 L 8.25 4.17 0.00 1.72 1.72 0.92 1.14 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 8 L 8.31 4.15 0.00 1.80 1.69 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.99 3.79 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 *11 Q 8.04 4.17 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.66 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 12 A 8.02 4.13 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 13 D 8.47 4.36 0.00 2.79 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.11 4.04 1.51 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 15 H 8.40 3.83 0.00 3.18 3.57 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.27 4.11 0.00 3.33 3.42 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 17 L 8.12 3.38 0.00 1.39 0.57 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.12 3.98 0.00 3.35 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 19 V 7.68 3.21 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 0.90 0.00 0.00 1.00 0.00 0.00 20 K 7.69 3.63 0.00 1.47 1.29 0.00 1.50 0.00 0.00 1.21 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.22 7.81 21 F 8.11 4.01 0.00 2.77 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 22 H 7.21 3.21 0.00 2.28 1.31 0.00 5.83 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 23 N 7.14 4.34 0.00 2.78 2.88 0.00 0.00 7.23 8.42 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 24 Y 7.37 4.08 0.00 2.93 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 25 H 7.74 4.43 0.00 3.02 3.09 0.00 5.79 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 26 W 8.30 4.82 0.00 3.58 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 27 N 8.46 5.31 0.00 3.34 3.12 0.00 0.00 6.72 7.84 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 28 V 7.95 4.45 2.25 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 0.74 0.00 0.00 1.01 0.00 0.00 29 K 9.90 4.74 0.00 1.66 1.73 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.55 7.81 30 G 9.21 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 31 L 8.55 3.96 0.00 1.62 1.75 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.05 4.50 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 33 F 8.79 4.08 0.00 3.28 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 34 F 8.45 3.88 0.00 3.36 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 35 S 8.13 4.04 0.00 4.05 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 36 I 7.69 3.60 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.77 0.00 0.00 37 H 7.95 3.78 0.00 2.18 2.75 0.00 5.78 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 38 E 7.89 3.64 0.00 1.84 1.77 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 1.47 2.05 0.00 39 Y 8.21 3.85 0.00 2.97 2.77 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 40 T 8.15 3.68 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 1.21 0.00 0.00 41 E 7.36 2.54 0.00 1.71 1.78 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 1.91 1.66 0.00 42 K 7.45 3.64 0.00 1.71 1.58 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.31 7.81 43 A 7.38 3.98 1.04 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 44 Y 7.72 4.51 0.00 2.69 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 45 E 8.02 4.44 0.00 2.16 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 0.00 2.46 2.31 0.00 46 E 8.37 4.15 0.00 2.29 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 0.00 2.35 2.46 0.00 *48 A 8.02 4.18 1.43 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 49 E 8.53 4.07 0.00 2.31 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 2.40 2.56 0.00 50 L 8.45 4.18 0.00 2.09 1.89 1.45 1.11 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 51 F 8.44 4.17 0.00 3.08 3.19 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 52 D 8.22 4.21 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.38 3.99 0.00 4.10 3.58 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 0.00 0.00 0.00 54 C 8.35 4.02 0.00 2.92 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.50 3.81 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 56 E 8.32 3.89 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 57 R 8.03 3.76 0.00 1.73 1.89 0.00 3.23 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 58 V 7.80 3.52 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 1.00 0.00 0.00 0.94 0.00 0.00 59 L 7.81 4.39 0.00 1.83 1.65 0.85 0.52 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 60 Q 7.97 4.03 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 61 L 7.51 4.39 0.00 1.75 1.68 0.91 1.00 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 62 G 7.97 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 63 E 8.05 4.61 0.00 2.01 1.77 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 2.17 2.25 0.00 64 K 8.20 4.42 0.00 1.75 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 65 A 8.22 4.13 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 66 I 8.35 3.89 1.92 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 1.33 0.53 0.91 0.00 0.00 67 T 8.46 4.41 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 1.18 0.00 0.00 68 C 7.77 4.55 0.00 2.96 2.83 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 69 Q 8.65 4.02 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 70 K 8.09 4.07 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.49 7.81 71 V 7.75 3.79 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 72 L 7.77 3.97 0.00 1.87 1.64 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 *74 E 8.13 4.36 0.00 1.98 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 2.21 2.54 0.00 75 N 8.15 4.55 0.00 2.71 2.87 0.00 0.00 6.98 6.67 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 76 A 7.33 4.31 1.11 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 0.00 0.00 77 K 9.39 4.52 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.53 7.81 78 S 7.61 2.79 0.00 3.42 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 79 P 0.00 4.21 0.00 2.07 2.05 0.00 3.59 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 80 K 8.50 4.20 0.00 1.74 1.77 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.51 7.81 81 V 8.30 4.40 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 1.16 0.00 0.00 1.13 0.00 0.00 82 A 8.70 4.35 1.32 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 0.00 0.00 83 K 7.92 4.32 0.00 1.73 1.36 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.45 7.81 84 D 7.80 4.97 0.00 2.77 2.70 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 85 C 6.72 4.72 0.00 2.84 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 86 F 8.74 5.31 0.00 2.96 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 87 T 9.14 4.82 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 1.24 0.00 0.00 88 P 0.00 4.20 0.00 2.14 2.10 0.00 3.62 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 89 L 7.85 3.93 0.00 1.65 1.67 0.89 0.89 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 90 E 8.21 3.90 0.00 2.26 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 0.00 2.35 2.33 0.00 91 V 7.59 2.78 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 0.63 0.00 0.00 0.58 0.00 0.00 92 I 7.50 3.47 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.36 0.69 0.00 0.00 93 E 8.14 3.86 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 94 L 7.88 3.93 0.00 1.14 1.50 0.72 0.87 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 95 I 7.64 3.45 1.70 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 0.95 0.38 0.16 0.00 0.00 96 K 7.91 3.85 0.00 1.87 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.53 7.81 97 Q 8.11 4.06 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 98 D 8.49 4.52 0.00 3.04 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 99 Y 8.87 4.43 0.00 3.15 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 0.00 100 E 8.80 4.12 0.00 2.26 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 0.00 2.43 2.61 0.00 101 Y 8.16 4.00 0.00 3.16 3.23 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 0.00 102 L 8.25 3.70 0.00 1.60 1.37 0.74 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.38 4.06 0.00 1.87 1.93 1.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.09 3.99 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 0.00 105 E 7.84 3.69 0.00 1.64 1.62 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 1.47 1.82 0.00 106 F 8.48 4.25 0.00 3.10 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 0.00 107 K 8.29 4.02 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.65 7.81 108 K 8.09 3.95 0.00 1.91 1.82 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 109 L 8.13 3.95 0.00 1.77 1.94 1.00 0.74 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 0.00 110 N 8.45 4.29 0.00 2.88 2.97 0.00 0.00 7.24 8.31 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 0.00 111 E 8.22 3.91 0.00 2.19 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 2.49 2.48 0.00 112 A 8.16 3.99 1.41 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 0.00 0.00 113 A 8.46 3.95 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 0.00 114 E 8.75 3.91 0.00 2.12 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 2.34 2.53 0.00 115 K 8.01 4.06 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.65 7.81 116 E 7.84 4.38 0.00 1.96 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 2.31 2.46 0.00 117 S 7.70 3.67 0.00 4.00 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 0.00 118 D 8.05 4.67 0.00 2.70 2.70 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 0.00 119 T 8.11 3.96 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 0.00 120 T 7.88 3.87 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 1.20 0.00 0.00 121 T 8.31 4.02 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 1.36 0.00 0.00 122 A 8.16 4.02 1.43 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 0.00 123 A 8.35 3.97 1.40 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 0.00 0.00 124 F 8.48 4.18 0.00 3.07 3.35 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 0.00 125 A 8.46 3.77 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 0.00 126 Q 8.09 3.89 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 127 E 8.06 3.81 0.00 2.15 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 2.20 2.29 0.00 128 N 7.47 4.02 0.00 1.44 1.42 0.00 0.00 7.05 8.37 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 0.00 129 I 7.69 3.68 1.96 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 1.50 0.78 0.91 0.00 0.00 130 A 8.03 3.92 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 0.00 131 K 7.57 3.62 0.00 1.56 1.49 0.00 1.32 0.00 0.00 1.09 0.00 0.00 2.77 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 1.04 7.81 132 Y 7.96 4.00 0.00 3.07 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 0.00 133 E 8.43 4.09 0.00 2.08 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 2.39 2.53 0.00 134 K 7.79 4.10 0.00 1.81 1.98 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.68 7.81 135 S 7.86 4.38 0.00 3.99 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.66 4.36 0.00 1.92 1.87 1.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.04 4.51 0.00 3.46 3.49 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 *139 I 7.76 3.96 2.07 0.00 0.00 1.00 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 1.06 0.83 0.00 0.00 140 G 8.26 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.61 3.92 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 0.00 142 T 7.50 3.91 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 1.06 0.00 0.00 143 L 7.51 4.16 0.00 1.62 1.67 0.85 0.63 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 0.00 144 Q 7.47 4.24 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 145 G 8.19 4.09 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 0.00 0.00 0.00 146 A 8.29 4.31 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 0.00 147 C 8.46 4.40 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.