NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5917 8.3049 118.1966 55.1780 33.6551 173.7219 2 K 4.1923 8.2260 116.1936 56.2532 33.4054 176.9884 3 K 4.5903 8.9726 122.8120 55.2114 35.9443 174.2294 4 V 4.5372 7.6652 120.8741 60.0253 34.1522 176.4292 5 V 4.2972 8.4312 116.5968 61.8482 30.7034 171.6642 6 A 3.6558 7.7037 129.9012 54.1049 16.0053 178.6953 7 V 4.0915 7.6628 112.2047 62.9605 32.5309 177.9938 8 V 4.2489 8.4259 115.1449 60.4219 33.5045 174.4051 9 K 4.1599 8.2346 123.8218 55.9446 33.7622 177.0459 10 L 4.5428 7.4042 118.6522 55.4224 43.0362 172.9885 11 Q 4.7283 8.4791 118.8829 55.5144 30.3401 174.7440 12 L 4.8189 8.1842 118.6945 52.5238 46.3051 174.6189 13 P 5.6735 0.0000 0.0000 61.6348 34.0204 176.0774 14 A 4.5698 8.7396 124.3799 51.6355 17.7414 181.0334 15 G 3.9037 8.7546 105.0877 49.7796 0.0000 173.5914 16 K 3.7826 7.3496 119.3092 56.7857 32.3608 175.8640 17 A 4.2569 8.0531 126.2543 51.7464 21.3562 174.1916 18 T 3.5960 9.0589 122.9631 61.4365 65.1398 170.8009 19 P 4.1310 0.0000 0.0000 62.9266 31.3707 176.3477 20 A 3.9279 8.9056 126.1364 54.9589 18.1003 176.3649 21 P 4.2334 0.0000 0.0000 65.8710 31.2650 175.9663 22 P 4.3707 0.0000 0.0000 64.6051 33.6101 178.4979 23 V 3.8179 8.4976 109.8472 61.2144 31.9422 180.5450 24 G 3.9100 9.4975 118.9982 46.5303 0.0000 175.3421 25 P 4.2319 0.0000 0.0000 64.6628 31.5401 177.6124 26 A 4.0401 8.4352 122.1130 54.7191 18.4336 178.1081 27 L 4.6336 8.0043 112.0014 55.1734 42.2209 178.6398 28 G 3.6608 7.9388 108.3375 48.0667 0.0000 175.8852 29 Q 4.0200 7.8683 118.6132 59.1845 28.7635 176.3888 30 H 4.4068 7.8303 113.2853 56.0867 28.9793 174.8512 31 G 3.7261 7.7341 109.4208 46.4635 0.0000 173.0298 32 A 4.6911 7.8748 126.3696 51.4711 21.9612 174.4575 33 N 4.9151 8.6540 116.0441 52.1309 39.8542 175.7829 34 I 4.0363 8.2521 123.4274 62.7888 37.7672 177.3459 35 M 4.0631 7.6421 121.0432 58.1068 32.5700 177.0882 36 E 4.4107 8.1815 115.8872 57.2694 30.0356 176.8647 37 F 4.5722 8.5204 119.5194 59.1475 41.7329 177.0734 38 V 3.3600 7.7458 119.8050 64.3209 30.9952 177.7539 39 K 4.2423 7.7843 117.2180 58.2505 32.7402 178.3670 40 A 4.1414 8.0935 119.0697 55.0702 18.2590 179.1835 41 F 4.4223 8.0907 119.2031 61.4185 39.4225 177.9876 42 N 4.4667 7.8264 113.0659 53.6362 38.0141 176.3792 43 A 4.4128 8.1454 123.8607 52.2016 20.5343 177.9574 44 A 4.5724 7.5843 117.7570 52.1649 21.6194 178.3433 45 T 3.7568 7.4825 112.4831 66.2671 68.3691 176.7237 46 A 4.0230 7.6881 121.1702 54.4215 18.4959 178.8395 47 N 4.3993 7.7604 115.0813 56.8339 39.3853 176.6116 48 M 4.2974 7.6956 116.6156 56.8395 32.1093 176.1364 49 G 4.0107 7.6989 110.9110 44.8251 0.0000 174.6268 50 D 4.7003 8.3417 116.1307 52.8171 41.5851 174.9308 51 A 4.3043 7.8987 121.5643 52.5057 22.4154 179.5067 52 I 4.5827 8.6352 130.6469 59.7308 41.0745 173.1465 53 V 4.3296 8.9070 124.5382 58.8440 32.5642 173.9046 54 P 4.6190 0.0000 0.0000 63.2107 31.8597 175.4475 55 V 5.2507 8.7846 126.4636 59.3616 33.4427 174.6140 56 E 4.4220 8.7681 124.8845 55.0909 31.4953 174.8675 57 I 4.6279 8.0317 125.7829 59.8618 39.5130 175.5563 58 T 4.6652 8.3892 122.7704 62.5455 70.9140 173.5747 59 I 4.8655 7.2395 121.4879 58.8559 41.6987 174.1677 60 Y 5.0024 7.7976 120.5497 56.0671 42.0569 176.1671 61 A 4.1581 8.9066 122.0416 55.7432 18.6021 178.1871 62 D 4.6566 8.2374 115.6813 56.0122 40.7319 176.6517 63 R 4.1814 7.2839 110.4512 55.9451 29.2188 176.1331 64 S 4.1497 7.5525 114.5520 58.7789 63.8656 171.8508 65 F 5.2172 7.2823 114.2309 57.7762 39.5726 174.0084 66 T 4.9810 8.4108 114.2083 60.6779 66.3650 173.8451 67 F 4.7050 9.2169 116.8319 57.0946 37.6577 175.1197 68 V 3.8846 8.5437 126.6986 63.2442 32.5107 174.7644 69 T 4.8671 8.4733 124.4108 62.6692 70.2845 173.8929 70 K 4.8520 8.1141 121.9284 54.8215 36.6987 176.0057 71 T 4.1498 8.7146 111.4506 60.6309 69.3385 172.8782 72 P 4.7903 0.0000 0.0000 61.5653 31.8091 174.1297 73 P 4.1204 0.0000 0.0000 63.1371 31.4671 177.1325 74 A 4.0770 8.8045 124.9775 54.3157 18.4308 178.6843 75 S 4.1422 7.9168 109.0025 59.7504 63.3348 174.9418 76 Y 4.4785 8.8136 121.5161 60.8046 38.5379 177.1113 77 L 3.8347 8.0238 119.2759 57.7509 41.4196 179.1697 78 I 3.7960 7.1014 117.5219 64.2950 38.1687 176.9592 79 R 3.9422 8.1667 120.1465 57.5108 29.5338 178.2641 80 K 3.3051 7.9120 120.6290 60.3959 32.3999 178.5723 81 A 4.1282 7.2835 120.1478 53.9217 18.2997 177.4989 82 A 4.4229 8.2233 117.6054 50.6923 21.2973 175.3647 83 G 3.6720 7.7895 103.5882 46.1760 0.0000 173.9943 84 L 4.6987 7.3130 116.1868 52.8073 44.6014 176.7735 85 E 4.0371 8.4740 124.8832 58.6710 30.2730 179.7024 86 K 4.4385 7.5085 122.2128 55.7379 34.0630 175.3134 87 G 3.6762 7.9356 107.0640 45.6284 0.0000 173.4718 88 A 4.7108 8.1058 133.2510 50.8785 21.2054 176.5342 89 H 4.0457 8.3342 114.3701 54.6841 26.9028 175.3364 90 K 4.4322 8.1205 132.6601 54.8612 33.4061 176.1822 91 P 4.4466 0.0000 0.0000 63.2837 32.1612 177.9509 92 G 4.0728 9.1209 107.7447 47.3181 0.0000 173.3006 93 R 4.5508 7.9139 116.2056 56.7466 36.2760 174.2094 94 E 4.4603 8.1339 119.8057 54.6373 30.1658 174.9830 95 K 5.0608 8.2133 127.9863 53.4797 30.9251 176.3446 96 V 3.6478 7.9625 122.1109 65.1176 32.0542 175.5549 97 G 4.4593 7.6938 104.2895 44.9384 0.0000 170.9393 98 R 5.2663 8.3283 114.9446 54.7768 32.7297 174.2540 99 I 5.0249 8.5128 119.4283 59.8412 41.8266 174.9431 100 T 4.9090 8.9559 114.6433 60.2516 70.1250 175.8851 101 W 4.4720 8.9391 123.3400 59.3509 28.9628 178.1996 102 E 4.3281 8.1029 116.6645 58.7687 30.0429 177.9758 103 Q 5.0337 8.2321 121.0203 57.9449 28.7066 179.7538 104 V 3.7375 7.9820 120.2052 64.6218 31.4025 178.2259 105 L 3.9418 7.1443 120.5505 58.0657 42.1040 178.1112 106 E 3.9807 8.6061 118.6353 59.7512 29.3262 179.1144 107 I 3.6382 7.6360 117.4277 64.8210 37.5243 178.0062 108 A 3.9773 8.0462 121.1064 55.5917 17.8436 179.9086 109 K 3.9648 8.0209 115.9290 59.5877 32.1987 179.1509 110 Q 4.1454 8.2883 119.1170 57.8224 29.2527 177.0509 111 K 4.5511 7.7623 117.0402 56.0219 33.2096 177.3445 112 M 4.1001 7.9249 117.1889 57.0543 31.1689 175.5940 113 P 4.4941 0.0000 0.0000 63.8695 32.1933 176.3098 114 D 4.7809 7.9533 118.6715 56.0297 42.9155 179.0785 115 L 4.5395 7.4464 116.0619 53.4826 40.9878 177.1193 116 N 4.5918 8.3877 120.9260 54.1595 40.2663 175.0829 117 T 4.4653 8.0183 108.8058 59.8785 69.5505 172.9871 118 T 3.9897 8.6957 118.6893 65.2141 68.3372 174.6525 119 D 4.3833 7.9645 121.9988 54.3087 41.1261 177.3253 120 L 4.3842 8.4213 121.8718 55.8918 42.4476 178.1570 121 E 4.0817 7.8605 117.3825 59.0660 29.8680 177.8078 122 A 3.8891 7.4950 119.6994 55.1352 18.4185 179.2525 123 A 4.0190 7.6094 117.6673 55.4525 18.4778 179.4979 124 A 3.9814 7.6059 118.6950 55.5853 18.2546 179.9237 125 R 3.8276 7.9038 116.6501 59.5337 29.9251 179.4275 126 M 4.3650 7.3845 110.2938 56.0768 31.1168 176.2245 127 I 4.2659 8.1147 120.8731 63.2408 39.2225 177.9016 128 A 4.0955 8.2949 122.2647 54.9391 17.9189 179.8448 129 G 3.5923 7.9707 104.0018 47.6867 0.0000 175.7616 130 S 4.8499 8.3998 117.8134 59.7618 62.6903 176.5694 131 A 4.0663 7.5287 123.7323 55.1851 18.2612 179.6001 132 R 4.0733 7.5553 113.3315 58.1315 30.4170 178.3119 133 S 4.6334 7.7096 113.9216 59.3820 62.9330 175.7912 134 M 4.3703 8.5657 117.5848 55.4197 32.9994 175.0778 135 G 3.8752 8.6666 105.9618 46.0892 0.0000 175.2735 136 V 5.5474 7.3510 116.3942 58.8373 32.2869 175.9402 137 E 4.1033 8.5693 126.8962 57.9481 30.8232 176.7030 138 V 4.6251 8.2487 114.3983 60.3796 33.4806 175.9313 139 V 3.8457 10.3291 126.1141 63.3747 32.1653 175.3927 140 G 3.1604 8.2457 113.9941 46.0653 0.0000 171.6142 *141 A 4.2237 8.3442 122.1193 52.4301 18.9454 176.6864 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 M 8.30 4.59 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.23 4.19 0.00 1.81 1.56 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 8.97 4.59 0.00 1.73 1.73 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 4 V 7.67 4.54 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 0.86 0.00 0.00 0.94 0.00 0.00 5 V 8.43 4.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.04 0.00 0.00 6 A 7.70 3.66 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 7 V 7.66 4.09 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 0.75 0.00 0.00 0.91 0.00 0.00 8 V 8.43 4.25 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 0.41 0.00 0.00 0.82 0.00 0.00 9 K 8.23 4.16 0.00 1.86 1.81 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 10 L 7.40 4.54 0.00 1.89 1.74 0.87 0.61 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 11 Q 8.48 4.73 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 12 L 8.18 4.82 0.00 1.54 1.27 0.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.67 0.00 2.07 1.95 0.00 3.33 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.79 0.00 14 A 8.74 4.57 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.75 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 0.00 0.00 0.00 16 K 7.35 3.78 0.00 1.79 1.76 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.39 7.81 17 A 8.05 4.26 1.12 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 0.00 0.00 18 T 9.06 3.60 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 19 P 0.00 4.13 0.00 2.22 2.18 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 20 A 8.91 3.93 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 21 P 0.00 4.23 0.00 2.03 2.09 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 22 P 0.00 4.37 0.00 1.98 2.00 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 23 V 8.50 3.82 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 0.79 0.00 0.00 0.86 0.00 0.00 24 G 9.50 3.91 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 0.00 0.00 0.00 25 P 0.00 4.23 0.00 2.17 2.49 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 26 A 8.44 4.04 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 L 8.00 4.63 0.00 1.57 1.59 0.29 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 28 G 7.94 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.87 4.02 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.57 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 30 H 7.83 4.41 0.00 3.17 3.29 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.73 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 32 A 7.87 4.69 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 33 N 8.65 4.92 0.00 2.89 2.92 0.00 0.00 6.85 7.45 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 34 I 8.25 4.04 1.88 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 1.30 0.84 0.91 0.00 0.00 35 M 7.64 4.06 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 36 E 8.18 4.41 0.00 2.11 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 0.00 2.85 2.50 0.00 37 F 8.52 4.57 0.00 2.51 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.75 3.36 2.15 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 0.90 0.00 0.00 0.93 0.00 0.00 39 K 7.78 4.24 0.00 1.83 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.47 7.81 40 A 8.09 4.14 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 41 F 8.09 4.42 0.00 2.17 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 42 N 7.83 4.47 0.00 2.72 2.75 0.00 0.00 6.89 8.72 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 43 A 8.15 4.41 1.37 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 44 A 7.58 4.57 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 45 T 7.48 3.76 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 1.14 0.00 0.00 46 A 7.69 4.02 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 47 N 7.76 4.40 0.00 2.68 2.94 0.00 0.00 7.02 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 48 M 7.70 4.30 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 49 G 7.70 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.34 4.70 0.00 2.72 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 51 A 7.90 4.30 1.19 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 0.00 0.00 52 I 8.64 4.58 1.49 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 0.26 0.00 0.00 53 V 8.91 4.33 2.17 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 0.85 0.00 0.00 1.17 0.00 0.00 54 P 0.00 4.62 0.00 2.14 2.27 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 55 V 8.78 5.25 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 1.03 0.00 0.00 1.34 0.00 0.00 56 E 8.77 4.42 0.00 2.06 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 2.33 2.35 0.00 57 I 8.03 4.63 1.57 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.39 0.61 0.00 0.00 58 T 8.39 4.67 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 59 I 7.24 4.87 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.38 0.89 0.00 0.00 60 Y 7.80 5.00 0.00 2.88 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 61 A 8.91 4.16 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 62 D 8.24 4.66 0.00 2.75 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 63 R 7.28 4.18 0.00 2.12 2.17 0.00 3.11 0.00 0.00 3.05 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 64 S 7.55 4.15 0.00 3.97 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 0.00 65 F 7.28 5.22 0.00 2.99 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 66 T 8.41 4.98 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 1.37 0.00 0.00 67 F 9.22 4.71 0.00 3.31 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 68 V 8.54 3.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 69 T 8.47 4.87 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 1.26 0.00 0.00 70 K 8.11 4.85 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 71 T 8.71 4.15 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 72 P 0.00 4.79 0.00 2.37 2.28 0.00 3.47 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 73 P 0.00 4.12 0.00 2.25 2.09 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 74 A 8.80 4.08 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 75 S 7.92 4.14 0.00 3.88 3.95 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 76 Y 8.81 4.48 0.00 3.01 3.07 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 0.00 0.00 0.00 0.00 77 L 8.02 3.83 0.00 1.72 1.70 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.10 3.80 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 1.52 0.74 1.02 0.00 0.00 79 R 8.17 3.94 0.00 2.00 1.95 0.00 3.51 0.00 0.00 3.29 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 80 K 7.91 3.31 0.00 1.82 1.86 0.00 1.24 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.05 1.29 7.81 81 A 7.28 4.13 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 82 A 8.22 4.42 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 83 G 7.79 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 84 L 7.31 4.70 0.00 1.59 1.55 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.47 4.04 0.00 1.97 1.95 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 2.33 2.34 0.00 86 K 7.51 4.44 0.00 1.75 1.82 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.40 7.81 87 G 7.94 3.68 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 88 A 8.11 4.71 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 89 H 8.33 4.05 0.00 3.33 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.12 4.43 0.00 1.86 1.86 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.45 7.81 91 P 0.00 4.45 0.00 2.21 2.13 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 92 G 9.12 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.91 4.55 0.00 1.69 1.88 0.00 3.41 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 94 E 8.13 4.46 0.00 2.03 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 2.29 2.30 0.00 95 K 8.21 5.06 0.00 1.76 1.95 0.00 1.91 0.00 0.00 2.37 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.44 7.81 96 V 7.96 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 0.95 0.00 0.00 97 G 7.69 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 0.00 0.00 0.00 0.00 98 R 8.33 5.27 0.00 2.01 1.87 0.00 2.99 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 99 I 8.51 5.02 1.90 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 1.29 1.23 0.93 0.00 0.00 100 T 8.96 4.91 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 1.26 0.00 0.00 101 W 8.94 4.47 0.00 3.35 3.33 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 0.00 102 E 8.10 4.33 0.00 2.23 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 0.00 2.34 2.41 0.00 103 Q 8.23 5.03 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 104 V 7.98 3.74 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 0.88 0.00 0.00 0.90 0.00 0.00 105 L 7.14 3.94 0.00 2.04 1.96 0.94 0.98 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 0.00 106 E 8.61 3.98 0.00 2.09 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 2.35 2.60 0.00 107 I 7.64 3.64 2.02 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 1.44 0.86 0.92 0.00 0.00 108 A 8.05 3.98 1.37 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 0.00 109 K 8.02 3.96 0.00 1.81 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.85 7.81 110 Q 8.29 4.15 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 111 K 7.76 4.55 0.00 1.81 1.78 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 112 M 7.92 4.10 0.00 2.28 2.21 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 2.60 2.66 0.00 113 P 0.00 4.49 0.00 2.20 2.21 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 114 D 7.95 4.78 0.00 2.87 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 0.00 115 L 7.45 4.54 0.00 1.63 0.95 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.39 4.59 0.00 2.63 2.72 0.00 0.00 6.60 7.70 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 0.00 117 T 8.02 4.47 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 0.00 118 T 8.70 3.99 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 0.00 119 D 7.96 4.38 0.00 2.71 3.21 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 0.00 120 L 8.42 4.38 0.00 1.69 1.62 0.92 0.99 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 0.00 121 E 7.86 4.08 0.00 2.03 1.89 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 2.32 2.39 0.00 122 A 7.50 3.89 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 0.00 123 A 7.61 4.02 1.37 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 0.00 124 A 7.61 3.98 1.35 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 0.00 125 R 7.90 3.83 0.00 2.05 1.92 0.00 3.08 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 126 M 7.38 4.36 0.00 2.19 2.15 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 2.58 2.78 0.00 127 I 8.11 4.27 2.04 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 1.49 1.02 0.90 0.00 0.00 128 A 8.29 4.10 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 0.00 129 G 7.97 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 0.00 130 S 8.40 4.85 0.00 4.09 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 0.00 131 A 7.53 4.07 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 0.00 132 R 7.56 4.07 0.00 1.91 2.01 0.00 3.33 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 133 S 7.71 4.63 0.00 4.10 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 0.00 134 M 8.57 4.37 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 135 G 8.67 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 0.00 0.00 0.00 136 V 7.35 5.55 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 0.58 0.00 0.00 0.94 0.00 0.00 137 E 8.57 4.10 0.00 2.09 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 0.00 2.39 2.40 0.00 138 V 8.25 4.63 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 0.71 0.00 0.00 1.07 0.00 0.00 139 V 10.33 3.85 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 0.87 0.00 0.00 1.00 0.00 0.00 140 G 8.25 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 0.00 0.00 0.00 *141 A 8.34 4.22 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.