NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 M 4.4234 8.4045 120.3630 55.1139 33.4361 175.0860 *7 W 3.6823 8.2541 122.2609 52.1207 30.4378 175.3549 8 F 4.4575 6.6603 119.4694 54.5015 38.9108 173.9870 9 F 3.9971 8.5800 124.2495 57.9340 36.3526 174.8740 10 N 4.3119 6.6997 112.6977 52.9583 42.2613 173.7725 11 K 4.4511 8.6931 123.6469 54.8413 35.0209 175.0458 12 N 5.0520 8.4764 119.4520 51.1334 40.5648 173.2285 13 L 4.7324 9.0108 121.0353 53.2314 44.5497 174.9882 14 K 4.8987 8.7759 125.9649 55.4535 33.6446 176.2843 15 V 4.6486 8.9817 118.8653 59.7754 33.9303 175.8168 16 L 5.3850 8.9736 125.5754 52.8195 43.8575 175.8267 17 A 4.5970 8.3071 122.2520 50.9010 19.4781 176.7035 18 P 4.6845 0.0000 0.0000 65.0177 32.9169 175.2920 19 C 4.8351 7.4987 113.4092 56.9457 32.9671 172.9604 20 D 4.5244 9.0763 118.5986 53.6835 42.1213 178.2287 21 G 4.1333 6.7077 106.5532 46.3096 0.0000 171.0954 22 T 5.0795 7.9896 116.9979 61.7092 71.2677 173.9940 23 I 4.6989 8.6732 128.1262 61.2473 38.6540 175.2411 24 I 4.8004 8.5513 119.3491 59.2292 41.7554 174.4521 25 T 4.8164 8.5341 112.4567 60.4157 70.6027 176.2091 26 L 4.1587 8.5708 121.0833 57.6856 41.8831 179.3875 27 D 4.4651 8.0982 117.1285 56.6256 40.9246 176.5827 28 E 4.4139 8.0064 117.6784 56.0636 29.4878 175.7473 29 V 4.2880 7.6383 120.1666 61.2059 33.2236 176.7416 30 E 4.3271 8.5286 128.2264 53.7189 28.4868 176.4344 31 D 4.2723 7.8531 115.7353 53.1800 44.7833 174.1291 32 E 4.6145 8.6042 129.9163 59.4469 29.8452 178.8811 33 V 3.4304 7.7460 117.3968 66.0046 31.3989 177.7514 34 F 4.5154 8.0232 117.0058 60.5627 38.8329 177.9474 35 K 4.1199 8.3288 118.1943 59.2500 32.3240 177.7951 36 E 4.2848 8.3851 117.0724 55.5838 29.2939 176.7195 37 R 4.6592 8.1699 117.2078 56.4182 28.4075 178.5410 38 M 4.0589 8.0266 118.8693 58.3290 32.0249 177.9984 39 L 4.4017 8.2845 115.0872 53.8587 43.0638 176.3923 40 G 4.0140 6.1985 104.7680 45.3856 0.0000 170.1214 41 D 5.4265 9.1515 118.6069 52.2072 44.5940 173.7499 42 G 4.5921 8.2099 109.9090 44.3787 0.0000 171.3811 43 F 4.9170 7.7733 117.9458 56.4615 41.5577 172.7219 44 A 5.0574 8.8849 119.1650 51.5993 23.4925 175.2057 45 I 4.9464 8.4878 117.5486 60.0118 42.0246 173.8497 46 N 5.0372 9.1160 129.0469 51.3507 38.8581 171.1866 47 P 4.5370 0.0000 0.0000 63.2686 31.2595 176.1683 48 K 4.3649 9.2961 125.1178 57.8100 33.3208 177.2313 49 S 4.5555 7.7428 113.0825 57.4071 64.9410 173.6648 50 N 4.8297 8.4840 115.2567 54.9675 40.4535 175.6711 51 D 4.8474 8.0749 118.7626 54.3276 41.6433 175.9745 52 F 4.8975 9.1371 122.6430 56.0546 41.4307 174.6982 53 H 5.3582 8.8733 120.1101 53.4650 32.0286 173.7498 54 A 4.1408 9.0801 122.8555 51.9387 18.6853 177.1974 55 P 4.0955 0.0000 0.0000 65.0031 33.1244 176.3605 56 V 4.6089 7.5317 111.0624 60.5257 35.7654 172.7389 57 S 5.0132 8.3934 116.4265 56.6386 64.9346 175.2538 58 G 3.9322 7.5337 109.8457 46.2207 0.0000 170.4008 59 K 4.8049 8.0409 121.6170 54.4712 34.1257 177.9130 60 L 5.3636 9.2069 131.4019 54.8107 39.2259 177.0905 61 V 3.5795 7.9975 122.5133 64.5766 33.0252 175.5223 62 T 4.3210 7.8342 117.1214 61.5706 70.8408 173.3481 63 A 4.4113 7.6105 126.8655 51.0294 22.9956 174.3087 64 F 4.8148 8.0883 114.6522 55.8526 42.7107 174.1387 65 P 4.2960 0.0000 0.0000 65.7403 31.3136 177.5998 66 T 3.9273 7.8838 108.1675 61.7150 69.2656 175.4303 67 K 3.7731 7.9424 120.6648 57.5840 30.3254 175.3691 68 H 4.6673 7.5578 113.3570 55.6739 30.0560 174.0464 69 A 4.9225 6.8291 119.9928 50.3770 22.4047 175.3564 70 F 4.7013 9.7851 120.3825 55.5250 42.9599 174.1534 71 G 4.4484 9.3888 111.6935 44.5563 0.0000 172.2812 72 I 5.2413 8.4861 125.9761 59.4211 40.9008 174.2629 73 Q 5.0952 8.9252 128.2469 54.3490 31.3492 175.5506 74 T 4.6395 8.3640 117.5722 60.5001 69.9061 175.6136 75 K 3.8849 8.5661 120.9849 59.8324 32.7049 177.9254 76 S 4.3022 7.9318 112.5521 58.4669 63.2716 175.2119 77 G 4.1074 8.3649 111.0359 45.7170 0.0000 174.9221 78 V 3.8757 7.5072 113.1436 62.0841 32.6519 175.2322 79 E 4.9536 9.2380 125.0137 54.5353 32.3628 174.7006 80 I 4.6642 8.4699 124.0895 58.9791 41.1363 173.5620 81 L 5.0090 9.3435 132.3411 53.3642 44.2489 174.4216 82 L 4.9570 8.6515 128.6252 53.8103 44.1319 174.4805 83 H 5.0772 8.9823 125.7624 54.1663 32.6395 172.2113 84 I 3.6009 8.5938 128.1826 62.1866 37.1535 178.0379 85 G 4.0403 9.0376 117.5172 45.8260 0.0000 172.1622 86 L 4.9110 8.3292 118.5717 54.1585 45.3193 177.3999 87 D 4.5278 8.8565 119.0889 55.0121 39.5236 175.6453 88 T 3.9468 7.6783 110.8215 64.9755 68.3622 176.1236 89 V 3.0203 7.5885 121.7129 64.5288 30.9489 178.1687 90 S 4.0870 8.0836 114.4254 61.1862 62.8009 175.9551 91 L 4.1520 7.8961 121.0030 54.6813 41.3283 176.7472 92 D 4.1942 8.7341 117.6173 55.2511 38.9526 174.1740 93 G 4.0651 8.1898 103.0653 45.9637 0.0000 173.2842 94 N 4.7268 7.6702 118.8883 53.7887 39.5238 174.6780 95 G 4.0558 9.0463 114.0370 45.2681 0.0000 172.4630 96 F 4.8970 8.2609 118.2617 56.6267 40.4918 175.6664 97 E 4.5582 9.1573 122.6813 54.4273 31.6977 175.6541 98 S 4.7701 8.3406 119.0585 57.6050 64.7667 173.9136 99 F 4.9491 9.2625 116.4606 57.0361 40.6912 175.1516 100 V 4.6726 7.8570 110.3840 59.9216 35.6242 174.7852 101 T 4.7474 7.9615 116.0282 61.3515 72.2830 173.7723 102 Q 4.2554 8.4245 124.3434 57.9316 29.4054 176.9950 103 D 4.6788 9.6884 122.2747 54.4090 40.0728 174.6068 104 Q 4.2026 7.7829 121.5649 56.0951 30.2487 174.6275 105 E 4.9310 8.6785 124.8832 55.5957 31.1055 175.8473 106 V 4.6254 9.0680 116.2566 59.6610 36.3975 174.0169 107 N 5.2892 9.7133 119.6625 50.9979 41.1929 174.7097 108 A 4.3596 8.2437 126.2014 53.4308 18.8160 178.1678 109 G 3.9701 9.7781 112.5466 44.9919 0.0000 173.6488 110 D 4.6284 8.4530 120.2092 53.9008 42.2150 175.5713 111 K 4.0508 8.4601 122.6840 56.7273 32.7789 176.1169 112 L 4.4463 9.2042 127.8636 56.2891 43.2643 176.7002 113 V 5.0746 7.3784 115.6350 61.1645 35.4022 172.3865 114 T 4.9867 9.2669 117.8344 61.8527 71.2255 173.4065 115 V 4.3371 8.1543 126.9686 61.0770 33.3449 177.0105 116 D 4.6142 8.8436 128.2334 52.9180 38.4268 176.1808 117 L 3.9120 8.0355 124.4136 57.3930 41.8530 178.4424 118 K 3.8866 8.0231 117.3111 59.8350 32.3475 178.5046 119 S 4.2045 8.8894 115.6730 61.5097 62.9272 176.4400 120 V 3.5252 8.1098 120.8555 66.4566 30.9594 177.9114 121 A 4.0689 8.2257 119.7240 54.7443 18.1319 179.0423 122 K 4.2019 8.0205 116.3792 59.4004 33.3634 179.1627 123 K 4.1849 8.0692 118.2199 57.3406 32.2409 176.8611 124 V 4.5980 6.8541 110.0560 58.3595 35.0145 173.9699 125 P 4.4121 0.0000 0.0000 65.7232 31.6008 177.2770 126 S 4.5985 7.6732 109.6808 57.4373 64.8883 174.6593 127 I 4.2506 8.2701 118.8106 60.6804 38.3006 175.7944 128 K 4.1800 7.9918 122.7212 57.4002 33.0879 175.8069 129 S 5.1879 9.4605 122.1904 55.6455 64.9582 172.0038 130 P 4.6315 0.0000 0.0000 62.0258 33.0658 175.5391 131 I 4.7374 8.5933 124.8076 59.4278 38.9031 174.3500 132 I 4.8854 8.5514 121.0325 58.7762 40.9222 175.1029 133 F 4.8806 9.3099 123.9707 57.0327 39.0897 176.6337 134 T 4.3820 8.9962 121.8225 65.3293 69.1550 174.9696 135 N 4.3491 7.8598 118.8233 53.5171 41.8638 172.3404 136 N 4.9356 9.5752 122.3611 49.5252 40.1114 174.6026 137 G 4.4074 8.7839 114.1625 45.3181 0.0000 175.4797 138 G 3.9827 7.8374 108.8003 44.7951 0.0000 174.2352 139 K 3.8348 8.0041 118.7907 57.1256 33.2079 175.7800 140 T 4.4932 10.2341 109.4448 60.8787 70.4918 173.3059 141 L 5.3777 8.0569 126.9619 52.1312 39.8381 175.3956 142 E 4.1437 8.6270 123.7298 58.8253 30.2585 176.9500 143 I 4.6543 7.6295 118.4699 59.4609 41.7510 174.1279 144 V 4.5013 8.3030 126.3327 60.6830 33.2045 174.7986 145 K 4.0987 8.6204 131.1686 56.7519 32.5256 176.3713 146 M 4.2906 8.7285 126.9219 54.3851 34.9056 175.7611 147 G 3.7150 8.0703 104.2332 44.2194 0.0000 171.3291 148 E 4.5183 8.4340 120.4903 56.3342 30.1707 177.7065 149 V 4.7498 9.0669 119.4021 59.7231 37.1285 174.1873 150 K 4.7709 9.4272 120.9126 54.1824 35.1370 176.1149 151 Q 4.2129 10.3072 125.6370 58.3950 29.1191 176.7388 152 G 3.9917 9.1712 114.0611 45.1791 0.0000 172.4107 153 D 4.8373 7.7844 119.1921 52.5618 42.7857 176.3663 154 V 4.1559 8.2887 122.0683 63.4611 31.9886 175.7715 155 V 4.4276 8.6120 123.5147 62.0322 34.0130 174.3455 156 A 5.4252 7.2242 118.6630 52.5168 22.4528 174.9542 157 I 4.8903 7.9328 119.9497 59.5109 40.9232 174.4599 158 L 5.2843 8.8392 129.7290 52.5073 42.9132 176.0789 159 K 4.2181 8.2827 125.6809 56.2211 31.8790 176.0057 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 6 M 8.40 4.42 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 *7 W 8.25 3.68 0.00 2.58 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 0.00 0.00 0.00 8 F 6.66 4.46 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 8.58 4.00 0.00 3.27 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 10 N 6.70 4.31 0.00 2.67 2.61 0.00 0.00 6.82 6.56 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 11 K 8.69 4.45 0.00 1.79 1.65 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.35 7.81 12 N 8.48 5.05 0.00 2.84 2.83 0.00 0.00 5.89 7.79 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 13 L 9.01 4.73 0.00 1.76 1.68 0.99 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.78 4.90 0.00 1.70 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 15 V 8.98 4.65 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 1.04 0.00 0.00 1.27 0.00 0.00 16 L 8.97 5.38 0.00 1.53 1.52 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.31 4.60 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 18 P 0.00 4.68 0.00 2.24 2.70 0.00 3.77 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 2.18 2.06 0.00 19 C 7.50 4.84 0.00 2.44 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 0.00 0.00 0.00 20 D 9.08 4.52 0.00 2.63 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 21 G 6.71 4.13 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 0.00 0.00 0.00 22 T 7.99 5.08 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 1.28 0.00 0.00 23 I 8.67 4.70 1.80 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.81 0.00 0.00 24 I 8.55 4.80 2.17 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.80 1.00 0.00 0.00 25 T 8.53 4.82 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 1.26 0.00 0.00 26 L 8.57 4.16 0.00 1.81 1.96 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.10 4.47 0.00 2.68 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 28 E 8.01 4.41 0.00 2.18 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 0.00 2.33 2.27 0.00 29 V 7.64 4.29 2.32 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 0.88 0.00 0.00 0.99 0.00 0.00 30 E 8.53 4.33 0.00 2.15 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 2.30 2.27 0.00 31 D 7.85 4.27 0.00 2.78 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 32 E 8.60 4.61 0.00 2.12 1.92 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 2.32 2.24 0.00 33 V 7.75 3.43 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.73 0.00 0.00 34 F 8.02 4.52 0.00 3.30 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 35 K 8.33 4.12 0.00 2.11 2.11 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.67 7.81 36 E 8.39 4.28 0.00 2.41 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 2.30 2.35 0.00 37 R 8.17 4.66 0.00 2.08 2.07 0.00 3.20 0.00 0.00 3.31 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 38 M 8.03 4.06 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 39 L 8.28 4.40 0.00 1.65 1.74 0.91 0.84 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 40 G 6.20 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 41 D 9.15 5.43 0.00 2.73 2.64 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 42 G 8.21 4.59 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 43 F 7.77 4.92 0.00 3.38 3.28 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 44 A 8.88 5.06 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 I 8.49 4.95 2.02 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 1.15 1.44 1.09 0.00 0.00 46 N 9.12 5.04 0.00 2.86 2.73 0.00 0.00 6.70 7.09 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 47 P 0.00 4.54 0.00 2.23 2.17 0.00 3.88 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 2.16 2.39 0.00 48 K 9.30 4.36 0.00 1.59 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.36 7.81 49 S 7.74 4.56 0.00 3.80 3.81 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 50 N 8.48 4.83 0.00 2.78 3.14 0.00 0.00 6.84 8.08 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 51 D 8.07 4.85 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.14 4.90 0.00 2.97 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 53 H 8.87 5.36 0.00 2.93 3.15 0.00 5.85 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 54 A 9.08 4.14 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 55 P 0.00 4.10 0.00 2.03 2.29 0.00 3.88 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 56 V 7.53 4.61 2.12 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 1.02 0.00 0.00 0.96 0.00 0.00 57 S 8.39 5.01 0.00 3.86 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.53 3.93 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 0.00 0.00 0.00 59 K 8.04 4.80 0.00 1.79 1.66 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.36 7.81 60 L 9.21 5.36 0.00 1.94 1.57 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.00 3.58 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 0.79 0.00 0.00 0.95 0.00 0.00 62 T 7.83 4.32 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 0.70 0.00 0.00 63 A 7.61 4.41 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 64 F 8.09 4.81 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.30 0.00 2.15 2.19 0.00 3.95 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 66 T 7.88 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 67 K 7.94 3.77 0.00 1.83 2.10 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.47 7.81 68 H 7.56 4.67 0.00 2.92 2.64 0.00 5.43 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 69 A 6.83 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.79 4.70 0.00 2.96 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 71 G 9.39 4.45 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 0.00 72 I 8.49 5.24 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.94 0.93 0.00 0.00 73 Q 8.93 5.10 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 74 T 8.36 4.64 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 75 K 8.57 3.88 0.00 1.89 2.01 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.45 7.81 76 S 7.93 4.30 0.00 4.06 4.16 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 77 G 8.36 4.11 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 0.00 78 V 7.51 3.88 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 0.80 0.00 0.00 1.10 0.00 0.00 79 E 9.24 4.95 0.00 1.92 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 2.23 2.24 0.00 80 I 8.47 4.66 1.52 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.53 0.91 0.00 0.00 81 L 9.34 5.01 0.00 1.68 1.50 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.65 4.96 0.00 1.84 1.68 1.12 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.98 5.08 0.00 3.20 2.89 0.00 5.64 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.59 3.60 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.27 0.59 0.00 0.00 85 G 9.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.33 4.91 0.00 1.96 1.60 1.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.86 4.53 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 88 T 7.68 3.95 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 89 V 7.59 3.02 1.68 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 0.67 0.00 0.00 0.58 0.00 0.00 90 S 8.08 4.09 0.00 3.98 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 91 L 7.90 4.15 0.00 1.87 1.83 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.73 4.19 0.00 2.79 2.68 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 93 G 8.19 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 94 N 7.67 4.73 0.00 2.66 2.91 0.00 0.00 7.26 7.83 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 95 G 9.05 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.26 4.90 0.00 2.87 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 97 E 9.16 4.56 0.00 1.96 1.56 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 2.19 2.35 0.00 98 S 8.34 4.77 0.00 4.08 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 99 F 9.26 4.95 0.00 2.95 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 0.00 100 V 7.86 4.67 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 0.83 0.00 0.00 1.04 0.00 0.00 101 T 7.96 4.75 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 1.22 0.00 0.00 102 Q 8.42 4.26 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 5.84 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 103 D 9.69 4.68 0.00 2.71 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 0.00 104 Q 7.78 4.20 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 105 E 8.68 4.93 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 106 V 9.07 4.63 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 0.83 0.00 0.00 0.99 0.00 0.00 107 N 9.71 5.29 0.00 2.76 2.69 0.00 0.00 7.22 7.43 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 0.00 108 A 8.24 4.36 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 0.00 109 G 9.78 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 0.00 0.00 0.00 110 D 8.45 4.63 0.00 2.61 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 0.00 111 K 8.46 4.05 0.00 1.58 1.44 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.13 7.81 112 L 9.20 4.45 0.00 1.00 0.51 0.74 0.79 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 0.00 113 V 7.38 5.07 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 0.78 0.00 0.00 1.19 0.00 0.00 114 T 9.27 4.99 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 115 V 8.15 4.34 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 0.08 0.00 0.00 0.58 0.00 0.00 116 D 8.84 4.61 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 3.91 0.00 1.80 1.75 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.02 3.89 0.00 1.74 1.97 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.54 7.81 119 S 8.89 4.20 0.00 3.92 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 0.00 120 V 8.11 3.53 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 1.02 0.00 0.00 0.74 0.00 0.00 121 A 8.23 4.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.20 0.00 1.90 1.95 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.77 7.81 123 K 8.07 4.18 0.00 1.78 1.94 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.54 7.81 124 V 6.85 4.60 2.32 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 0.77 0.00 0.00 1.08 0.00 0.00 125 P 0.00 4.41 0.00 2.07 2.14 0.00 3.93 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 126 S 7.67 4.60 0.00 3.84 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 0.00 127 I 8.27 4.25 1.93 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 1.45 0.81 0.93 0.00 0.00 128 K 7.99 4.18 0.00 1.80 1.82 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.47 7.81 129 S 9.46 5.19 0.00 3.94 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 0.00 130 P 0.00 4.63 0.00 1.29 1.41 0.00 3.46 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 0.49 1.28 0.00 131 I 8.59 4.74 0.56 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 0.93 0.69 0.43 0.00 0.00 132 I 8.55 4.89 1.94 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 1.24 0.94 0.96 0.00 0.00 133 F 9.31 4.88 0.00 3.06 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 0.00 134 T 9.00 4.38 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 135 N 7.86 4.35 0.00 2.80 2.66 0.00 0.00 6.71 6.71 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 0.00 136 N 9.58 4.94 0.00 2.76 2.68 0.00 0.00 6.52 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.78 4.41 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 0.00 138 G 7.84 3.98 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 0.00 0.00 0.00 139 K 8.00 3.83 0.00 1.84 2.16 0.00 1.52 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 140 T 10.23 4.49 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 1.19 0.00 0.00 141 L 8.06 5.38 0.00 1.53 1.67 1.00 0.51 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 0.00 142 E 8.63 4.14 0.00 1.97 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 2.31 2.39 0.00 143 I 7.63 4.65 1.86 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 1.23 0.67 0.89 0.00 0.00 144 V 8.30 4.50 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 0.29 0.00 0.00 0.94 0.00 0.00 145 K 8.62 4.10 0.00 1.74 1.62 0.00 1.96 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.38 7.81 146 M 8.73 4.29 0.00 1.90 1.95 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 2.49 2.52 0.00 147 G 8.07 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 0.00 148 E 8.43 4.52 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 149 V 9.07 4.75 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 0.74 0.00 0.00 0.95 0.00 0.00 150 K 9.43 4.77 0.00 1.87 1.63 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.46 7.81 151 Q 10.31 4.21 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 152 G 9.17 3.99 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 0.00 0.00 0.00 153 D 7.78 4.84 0.00 2.76 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 0.00 154 V 8.29 4.16 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 0.76 0.00 0.00 0.94 0.00 0.00 155 V 8.61 4.43 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 0.66 0.00 0.00 0.87 0.00 0.00 156 A 7.22 5.43 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 0.00 157 I 7.93 4.89 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.99 0.92 0.00 0.00 158 L 8.84 5.28 0.00 1.55 1.54 0.30 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.28 4.22 0.00 1.80 1.65 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.