NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4583 8.3044 118.1953 55.0990 32.5686 174.2064 1 V 4.2662 7.9276 118.5527 60.6085 34.3828 173.6353 2 L 4.3115 8.3177 127.2928 53.9355 43.5935 176.8950 3 S 4.5457 8.6604 117.7339 57.6019 65.4336 175.1354 4 E 4.2916 8.7864 121.8298 59.4468 29.4117 178.7883 5 G 3.6436 8.0977 105.3840 47.6793 0.0000 175.4615 6 E 3.8863 7.7968 119.4162 59.0802 29.4354 179.2472 7 W 4.4528 7.9063 118.9344 60.2125 29.0390 178.6499 8 Q 4.1604 8.5254 117.8789 58.8823 27.9757 178.7278 9 L 4.0662 7.9339 119.7705 57.6045 41.5351 179.7819 10 V 3.7208 7.8744 118.1235 66.2350 31.6203 178.2124 11 L 4.2230 8.5621 118.8657 57.5589 40.9258 178.9907 12 H 4.2418 8.7402 119.3887 59.2514 29.9867 177.7193 13 V 3.8605 7.8334 121.1281 64.4191 31.3649 178.1413 14 W 4.0312 8.7265 129.0412 60.1543 30.2642 177.7717 15 A 4.0411 7.9326 120.1153 54.8284 18.0342 179.5023 16 K 3.9505 7.3025 117.7394 59.3766 32.0577 179.4574 17 V 2.8362 7.0736 118.1067 65.9471 31.0235 177.7651 18 E 3.7949 7.5407 115.6424 58.1819 29.3088 178.6022 19 A 4.2031 7.4493 120.4105 53.8131 19.7845 177.6759 20 D 4.6488 7.9226 116.8138 52.1851 42.8952 175.5437 21 V 3.4215 7.9404 123.1562 65.3950 32.0778 176.7046 22 A 4.0432 7.9813 120.1201 55.1949 18.3018 179.6344 23 G 3.7042 8.0969 105.4714 47.7990 0.0000 175.6628 24 H 4.1743 8.2544 118.8785 58.2884 28.6781 178.0920 25 G 3.5916 8.3910 108.0296 47.7428 0.0000 175.4049 26 Q 3.8450 8.0644 122.0644 59.0693 29.1342 178.1036 27 D 4.3073 7.9020 119.7706 57.4530 40.7450 179.0737 28 I 3.6758 7.7817 120.1678 64.4090 37.1368 178.5851 29 L 3.4690 7.7277 119.7974 57.3877 41.2120 179.7085 30 I 3.6625 7.5804 119.9595 64.1109 37.0353 178.1678 31 R 3.7730 7.8259 119.5975 59.3832 29.7609 178.2048 32 L 3.8950 7.8123 119.9647 58.3610 41.9978 179.0566 33 F 4.5221 7.8713 117.6720 60.3981 38.5362 178.0111 34 K 3.9887 8.1993 117.8482 59.6749 31.9994 179.3911 35 S 4.2773 7.9501 114.1733 60.4430 64.0945 174.5418 36 H 4.7399 8.3006 118.6329 51.9005 29.4408 171.7378 37 P 4.6593 0.0000 0.0000 64.6139 31.5530 177.4837 38 E 4.8041 8.4825 117.6829 59.1882 29.3770 179.1991 39 T 3.9258 8.1797 110.8281 64.4512 68.7498 176.1999 40 L 3.7529 7.9936 123.3037 57.9953 41.9756 178.7475 41 E 4.1034 8.2558 117.9485 58.9366 29.1363 178.8441 42 K 4.4935 8.1926 117.0043 56.8925 32.8545 177.0726 43 F 4.5170 8.1671 119.2449 55.3562 38.3762 175.7291 44 D 4.3575 8.5948 126.3448 57.2423 40.9309 178.6821 45 R 3.8338 7.8266 117.9352 58.3889 30.1467 176.6633 46 F 5.0810 7.9901 113.6625 56.4037 40.8240 176.5035 47 K 3.7717 8.4123 121.7872 59.5667 31.8247 176.8239 48 H 4.4954 8.1450 112.0974 56.7599 29.1718 175.2980 49 L 4.1594 7.7290 121.9895 54.6570 41.6688 176.7521 50 K 4.3009 9.2044 124.0898 57.4982 33.3234 177.2741 51 T 4.7334 7.2915 107.4046 58.8494 73.2522 174.2419 52 E 3.8795 8.6554 121.4413 59.4640 29.5029 178.8167 53 A 4.0594 7.9180 120.3159 55.1715 18.2615 179.3179 54 E 3.9223 7.9408 116.2892 59.7069 29.7058 179.1384 55 M 4.1391 8.1707 118.7896 58.4253 31.8404 179.0250 56 K 3.9665 8.4412 117.3770 58.7507 32.2626 178.3203 57 A 4.5347 7.3705 118.8228 51.3514 19.4967 176.9568 58 S 4.2551 7.4715 113.6666 57.4790 62.6252 174.5068 59 E 4.0613 8.8006 129.1602 59.1047 29.4502 178.2556 60 D 4.4537 8.1081 118.9815 57.1641 41.0140 178.1326 61 L 3.4441 8.0841 120.9674 57.8643 42.1445 178.9757 62 K 3.9242 7.8937 119.1319 59.3173 32.1069 178.9834 63 K 4.0316 8.3215 119.0618 59.7383 31.9769 178.8364 64 H 4.4407 8.5860 118.7472 59.1463 29.8258 177.5137 65 G 3.6512 8.2952 107.7466 47.6774 0.0000 175.8561 66 V 3.6123 7.7209 120.0360 66.0387 31.6106 178.1677 67 T 3.8698 7.8403 115.4253 66.6589 68.3256 176.6094 68 V 3.5876 8.0974 120.2975 66.2551 31.6317 178.1625 69 L 4.2794 8.0764 118.5539 57.9000 41.4445 179.6217 70 T 3.9687 8.3165 115.9420 66.6344 68.2756 176.5411 71 A 4.0208 8.0219 122.6274 54.9934 18.3182 179.5163 72 L 3.7726 8.0856 119.1226 58.1135 42.1895 179.3450 73 G 3.3829 8.7743 105.8906 47.7150 0.0000 175.5146 74 A 4.0312 7.7864 122.1405 54.8021 18.6363 179.6390 75 I 3.7864 7.4469 118.2801 64.6552 37.2830 178.6951 76 L 4.0095 7.8111 119.8899 57.5872 41.1553 179.4277 77 K 4.0429 7.6136 116.7424 58.1102 32.3868 178.6466 78 K 3.9687 7.8073 118.4747 55.9789 32.6316 176.5500 79 K 2.0000 8.2264 118.2046 56.4983 29.8483 175.0712 80 G 4.0177 7.9783 105.7649 45.9603 0.0000 174.1622 81 H 4.7068 7.3337 118.8111 55.2347 27.4900 174.8404 82 H 5.1843 7.3369 111.2634 54.1971 29.5287 176.0243 83 E 3.9853 8.6316 121.5418 60.3241 28.9644 179.1688 84 A 4.0940 7.9075 118.3968 55.2139 18.4684 179.0902 85 E 4.1074 8.1474 116.6921 59.4206 29.5458 179.3345 86 L 4.1479 8.1641 119.1684 57.2798 41.5667 179.5845 87 K 3.9728 7.7706 117.7728 59.0493 32.0954 177.6448 88 P 4.2670 0.0000 0.0000 65.5548 31.2171 178.2049 89 L 3.9869 7.4944 117.0608 57.9523 41.9765 178.7429 90 A 4.1285 8.2796 120.9984 55.2225 18.3736 179.3152 91 Q 3.8250 8.2610 118.4202 59.4188 29.0799 178.7831 92 S 4.0529 8.1134 115.2821 61.7480 63.0803 176.1541 93 H 4.1519 8.5368 119.5749 58.1527 28.1843 177.6462 94 A 2.7481 7.8106 122.3307 54.3896 18.3314 178.9245 95 T 4.1778 7.4744 112.2135 64.9356 69.4584 176.3806 96 K 4.0507 7.5648 120.3028 59.2101 32.6552 177.4320 97 H 4.3562 8.0545 114.7309 56.1281 29.2577 175.4320 98 K 3.8682 7.7354 116.8958 57.3306 28.7113 176.3988 99 I 4.1653 7.8343 120.3816 59.1097 37.8719 175.0026 100 P 4.7073 0.0000 0.0000 62.2453 32.0830 177.2766 101 I 3.3877 8.4121 114.6681 64.3443 37.2203 178.1345 102 K 3.7014 7.9469 120.5114 59.5102 31.9852 177.9640 103 Y 4.1515 8.0152 116.4322 60.4135 37.8625 177.7187 104 N 4.5437 8.1555 117.9507 56.1280 38.5774 177.1792 105 E 4.0630 7.8875 119.8844 59.2241 29.5515 179.2562 106 F 4.5066 7.8227 117.5224 60.7660 39.0451 177.3851 107 I 3.9002 8.0104 117.9046 63.7941 37.7489 178.1020 108 S 4.1806 8.1301 116.2616 61.4961 62.6273 176.0535 109 E 3.9966 8.4217 121.7399 59.4322 29.4119 178.8306 110 A 4.0209 7.9138 120.2413 55.0087 18.3301 179.7251 111 I 3.6851 7.9979 118.4213 64.7263 37.2409 178.7194 112 I 3.8125 7.8836 120.6351 64.5159 36.9138 177.9617 113 H 4.1160 8.4881 119.1937 59.3985 29.6657 177.5713 114 V 3.5689 7.8974 119.9467 65.9678 31.2773 177.9836 115 L 3.7998 7.9623 118.9350 57.8338 41.0436 178.9253 116 H 4.3428 7.9640 117.4473 59.4416 29.8775 177.2848 117 S 4.1776 7.7656 116.0335 61.3654 62.8083 176.2468 118 R 4.1631 7.9634 118.9817 57.0125 31.2078 176.2604 119 H 5.0514 8.3294 116.5076 54.1802 29.4308 173.4205 120 P 4.3405 0.0000 0.0000 65.7478 31.6797 179.0145 121 G 3.6690 8.1306 106.5819 47.4085 0.0000 173.6485 122 N 5.0285 8.2017 115.1653 52.9867 39.7268 174.4761 123 F 4.9392 7.7735 119.0735 56.5339 39.5352 174.2043 124 G 3.8714 7.7189 108.9383 43.8866 0.0000 172.3395 125 A 3.8904 8.4035 120.7551 55.4743 18.2489 179.6180 126 D 4.1899 7.9614 116.4892 57.4561 40.9467 178.7727 127 A 3.9450 7.7521 120.8095 55.0087 18.3211 179.3321 128 Q 3.1591 7.8687 118.5865 58.7570 29.0279 178.5381 129 G 3.4769 8.1006 106.7854 47.6508 0.0000 175.5983 130 A 3.8692 7.9890 123.2803 55.0116 18.2994 179.4486 131 M 3.9714 8.1869 116.8571 58.6017 32.2541 177.8815 132 N 4.2877 8.4356 117.5372 56.6766 39.0695 176.8006 133 K 3.8177 8.0192 119.5250 59.5384 32.1444 179.0912 134 A 3.8073 7.9664 120.9045 55.2003 18.1934 179.7092 135 L 4.1412 8.2880 117.6260 57.6442 41.6702 179.5240 136 E 3.9665 8.5760 119.2619 59.0932 29.3768 178.8576 137 L 3.9456 8.1490 120.5947 58.1946 42.1012 178.5730 138 F 4.1063 8.2414 120.3600 61.6335 39.2075 177.1936 139 R 3.5406 8.2636 117.5704 58.9799 29.8457 179.0111 140 K 3.8310 8.0984 119.2543 59.6681 32.2496 178.6441 141 D 4.3194 8.0926 119.1244 57.4521 40.7348 178.9116 142 I 3.5398 7.7627 120.5087 64.0638 37.0806 178.3320 143 A 3.6952 8.0549 121.8364 54.9628 18.1426 179.5793 144 A 3.9787 7.9477 119.3373 55.1928 18.4545 180.0415 145 K 3.9801 8.0770 117.0985 59.6935 32.0247 179.0118 146 Y 4.1191 8.2553 117.1275 61.0216 37.9310 178.8196 147 K 3.9842 8.1641 119.9784 59.7265 32.1641 178.4803 148 E 3.9986 7.9292 117.4324 59.4820 29.5080 178.8284 149 L 4.3435 7.7877 116.3719 55.1236 41.9883 177.7145 150 G 3.9980 7.8526 107.2814 45.4831 0.0000 173.1381 151 Y 4.0433 7.6624 118.2169 56.1948 40.4376 174.6797 152 Q 3.2819 9.1566 129.0244 60.3029 27.5501 174.0238 153 G 3.7224 9.3146 111.8824 45.3025 0.0000 172.1474 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 0 M 8.30 4.46 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.93 4.27 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 0.90 0.00 0.00 0.95 0.00 0.00 2 L 8.32 4.31 0.00 1.08 0.72 0.61 -0.49 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 3 S 8.66 4.55 0.00 4.06 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 4 E 8.79 4.29 0.00 2.20 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 0.00 2.43 2.51 0.00 5 G 8.10 3.64 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 0.00 0.00 0.00 6 E 7.80 3.89 0.00 1.98 1.71 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 2.22 2.26 0.00 7 W 7.91 4.45 0.00 3.61 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 8 Q 8.53 4.16 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.93 4.07 0.00 1.87 1.75 0.89 0.71 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 10 V 7.87 3.72 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 0.92 0.00 0.00 11 L 8.56 4.22 0.00 1.84 1.81 0.94 0.89 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 12 H 8.74 4.24 0.00 3.36 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.83 3.86 2.29 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 1.02 0.00 0.00 0.88 0.00 0.00 14 W 8.73 4.03 0.00 3.57 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 15 A 7.93 4.04 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 16 K 7.30 3.95 0.00 1.70 1.71 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.46 7.81 17 V 7.07 2.84 1.09 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 -0.04 0.00 0.00 0.44 0.00 0.00 18 E 7.54 3.79 0.00 1.99 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 2.21 2.01 0.00 19 A 7.45 4.20 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 20 D 7.92 4.65 0.00 2.67 2.51 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 21 V 7.94 3.42 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 1.04 0.00 0.00 0.83 0.00 0.00 22 A 7.98 4.04 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 23 G 8.10 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 0.00 0.00 0.00 24 H 8.25 4.17 0.00 3.10 3.22 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.39 3.59 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 0.00 0.00 0.00 26 Q 8.06 3.84 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 27 D 7.90 4.31 0.00 2.88 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 28 I 7.78 3.68 1.90 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 1.51 0.62 0.88 0.00 0.00 29 L 7.73 3.47 0.00 1.38 0.98 0.81 0.66 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 30 I 7.58 3.66 1.88 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 1.39 0.69 0.87 0.00 0.00 31 R 7.83 3.77 0.00 1.93 2.07 0.00 3.01 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 L 7.81 3.90 0.00 1.72 1.47 1.04 1.15 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 33 F 7.87 4.52 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 34 K 8.20 3.99 0.00 1.76 1.82 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.60 7.81 35 S 7.95 4.28 0.00 3.81 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 36 H 8.30 4.74 0.00 2.85 2.86 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.66 0.00 2.15 2.11 0.00 3.82 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 2.09 1.99 0.00 38 E 8.48 4.80 0.00 2.42 2.29 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 2.23 2.36 0.00 39 T 8.18 3.93 4.49 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 0.89 0.00 0.00 40 L 7.99 3.75 0.00 1.51 1.78 -0.07 0.80 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 41 E 8.26 4.10 0.00 2.31 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 2.37 2.46 0.00 42 K 8.19 4.49 0.00 2.03 1.80 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.71 1.99 7.81 43 F 8.17 4.52 0.00 3.26 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 44 D 8.59 4.36 0.00 2.61 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 45 R 7.83 3.83 0.00 1.31 0.66 0.00 3.06 0.00 0.00 2.96 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.45 0.00 46 F 7.99 5.08 0.00 2.85 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 47 K 8.41 3.77 0.00 1.85 1.92 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 48 H 8.14 4.50 0.00 3.32 3.40 0.00 5.58 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 49 L 7.73 4.16 0.00 1.54 1.56 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.20 4.30 0.00 1.70 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.48 7.81 51 T 7.29 4.73 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 1.20 0.00 0.00 52 E 8.66 3.88 0.00 2.04 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 2.35 2.36 0.00 53 A 7.92 4.06 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 54 E 7.94 3.92 0.00 2.11 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 2.34 2.34 0.00 55 M 8.17 4.14 0.00 2.04 2.25 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 2.68 2.54 0.00 56 K 8.44 3.97 0.00 1.78 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.37 4.53 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 58 S 7.47 4.26 0.00 3.84 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 59 E 8.80 4.06 0.00 2.14 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 2.39 2.47 0.00 60 D 8.11 4.45 0.00 2.98 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 61 L 8.08 3.44 0.00 1.18 1.60 0.70 0.24 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 62 K 7.89 3.92 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.32 4.03 0.00 2.09 1.92 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.77 7.81 64 H 8.59 4.44 0.00 3.59 3.61 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.30 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 66 V 7.72 3.61 2.26 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 1.11 0.00 0.00 0.96 0.00 0.00 67 T 7.84 3.87 4.46 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 0.00 0.00 0.00 1.28 0.00 0.00 68 V 8.10 3.59 2.20 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 1.08 0.00 0.00 0.97 0.00 0.00 69 L 8.08 4.28 0.00 1.79 1.81 0.88 0.73 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 70 T 8.32 3.97 4.31 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 1.26 0.00 0.00 71 A 8.02 4.02 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 72 L 8.09 3.77 0.00 1.65 1.78 0.29 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.77 3.38 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 0.00 74 A 7.79 4.03 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 75 I 7.45 3.79 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.92 0.00 0.00 76 L 7.81 4.01 0.00 1.25 1.59 -0.13 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 4.04 0.00 1.75 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 7.81 3.97 0.00 1.87 1.81 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.63 1.59 7.81 79 K 8.23 2.00 0.00 1.30 0.74 0.00 1.45 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.68 7.81 80 G 7.98 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 81 H 7.33 4.71 0.00 3.21 3.24 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.34 5.18 0.00 3.28 3.45 0.00 5.67 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.63 3.99 0.00 2.09 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 2.49 0.00 84 A 7.91 4.09 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 85 E 8.15 4.11 0.00 2.24 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 2.41 2.47 0.00 86 L 8.16 4.15 0.00 1.96 1.72 1.01 0.76 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 87 K 7.77 3.97 0.00 1.86 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 88 P 0.00 4.27 0.00 2.29 2.33 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.04 0.00 89 L 7.49 3.99 0.00 1.83 1.92 1.05 0.96 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 A 8.28 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 91 Q 8.26 3.83 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 92 S 8.11 4.05 0.00 4.00 4.10 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 93 H 8.54 4.15 0.00 3.52 3.54 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.81 2.75 0.35 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 0.00 0.00 95 T 7.47 4.18 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 1.17 0.00 0.00 96 K 7.56 4.05 0.00 1.56 1.64 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.37 7.81 97 H 8.05 4.36 0.00 3.03 3.16 0.00 5.84 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.74 3.87 0.00 1.91 1.98 0.00 1.59 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.61 7.81 99 I 7.83 4.17 1.98 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 1.37 0.87 1.03 0.00 0.00 100 P 0.00 4.71 0.00 1.94 2.08 0.00 3.28 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 0.50 1.33 0.00 101 I 8.41 3.39 1.68 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 1.57 0.63 0.43 0.00 0.00 102 K 7.95 3.70 0.00 1.76 1.73 0.00 1.26 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 0.93 7.81 103 Y 8.02 4.15 0.00 3.18 3.04 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 0.00 104 N 8.16 4.54 0.00 2.87 2.91 0.00 0.00 6.84 7.12 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 0.00 105 E 7.89 4.06 0.00 2.07 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 2.33 2.30 0.00 106 F 7.82 4.51 0.00 3.19 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 0.00 107 I 8.01 3.90 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 1.07 0.00 0.00 108 S 8.13 4.18 0.00 4.21 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 0.00 109 E 8.42 4.00 0.00 2.16 2.37 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 2.37 2.41 0.00 110 A 7.91 4.02 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 0.00 111 I 8.00 3.69 2.08 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 1.61 0.71 1.03 0.00 0.00 112 I 7.88 3.81 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.85 1.12 0.00 0.00 113 H 8.49 4.12 0.00 3.34 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.57 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 0.99 0.00 0.00 0.98 0.00 0.00 115 L 7.96 3.80 0.00 0.53 0.69 0.77 0.81 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 0.00 116 H 7.96 4.34 0.00 3.47 3.63 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.77 4.18 0.00 3.81 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 0.00 118 R 7.96 4.16 0.00 1.56 1.61 0.00 3.10 0.00 0.00 2.95 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 119 H 8.33 5.05 0.00 3.17 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.34 0.00 2.21 2.25 0.00 3.75 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 2.06 1.93 0.00 121 G 8.13 3.67 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 0.00 0.00 0.00 122 N 8.20 5.03 0.00 2.79 2.92 0.00 0.00 6.66 6.80 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 0.00 123 F 7.77 4.94 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 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 0.00 0.00 0.00 125 A 8.40 3.89 1.28 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 0.00 126 D 7.96 4.19 0.00 2.65 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 0.00 127 A 7.75 3.94 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 0.00 128 Q 7.87 3.16 0.00 1.29 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 129 G 8.10 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.99 3.87 1.27 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 0.00 0.00 0.00 131 M 8.19 3.97 0.00 2.38 2.35 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.87 0.00 132 N 8.44 4.29 0.00 2.91 2.92 0.00 0.00 7.21 7.54 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 0.00 133 K 8.02 3.82 0.00 1.98 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 134 A 7.97 3.81 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 0.00 135 L 8.29 4.14 0.00 1.74 1.80 0.98 1.12 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 0.00 136 E 8.58 3.97 0.00 2.13 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 2.34 2.56 0.00 137 L 8.15 3.95 0.00 1.86 1.98 1.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.24 4.11 0.00 3.15 3.22 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 0.00 139 R 8.26 3.54 0.00 1.99 1.87 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 140 K 8.10 3.83 0.00 1.79 1.99 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.09 4.32 0.00 2.89 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 0.00 142 I 7.76 3.54 1.27 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 1.02 -0.02 0.39 0.00 0.00 143 A 8.05 3.70 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 0.00 144 A 7.95 3.98 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 0.00 145 K 8.08 3.98 0.00 2.10 1.93 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.26 4.12 0.00 3.16 3.14 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 0.00 147 K 8.16 3.98 0.00 2.23 1.98 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 148 E 7.93 4.00 0.00 2.23 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 2.36 2.53 0.00 149 L 7.79 4.34 0.00 1.71 1.66 0.87 0.78 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 0.00 150 G 7.85 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 0.00 0.00 0.00 151 Y 7.66 4.04 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.16 3.28 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 153 G 9.31 3.72 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 0.00 0.00 0.00