NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3540 8.3344 116.7943 58.6184 64.1591 173.5349 -1 N 4.4202 8.3472 123.1135 51.8027 40.1780 174.1948 0 A 4.2030 9.1292 135.0000 51.7161 18.7230 178.1747 0 N 4.6230 9.2892 132.4509 52.3161 38.5230 175.5747 3 R 3.9158 7.5977 116.8720 59.2773 30.0415 178.9567 4 I 3.7422 7.5707 119.1969 64.0618 37.0817 177.8359 5 E 3.7650 7.9366 119.7584 59.5360 29.4531 178.4172 6 H 3.5674 7.7231 115.5995 58.6651 28.6590 176.8582 7 Y 4.2244 7.5200 121.0499 61.1793 38.6630 177.9673 8 H 3.9577 8.3132 117.2807 58.9534 28.7386 177.4564 9 D 4.3631 8.1700 120.9129 57.3511 40.5657 179.0413 10 W 4.6678 8.1892 119.2715 59.3897 29.0014 178.7858 11 L 3.9788 8.0795 119.4302 57.8921 41.0789 179.6872 12 R 3.9570 8.0794 117.9902 59.1949 29.7368 178.7385 13 D 4.4204 8.3927 118.0586 57.4573 40.9519 178.5058 14 A 3.9843 8.0070 119.9741 55.2411 18.6758 178.6707 15 H 4.2452 8.4226 116.5695 59.3250 29.9225 178.7936 16 A 4.4538 7.8811 122.5185 51.9348 18.2377 179.0306 *18 E 4.3581 8.2326 122.6570 58.0276 32.0525 178.6964 19 K 3.9368 8.1222 118.3010 59.3972 31.7719 179.1011 20 Q 3.9169 8.1193 118.6284 59.1148 29.1036 177.7444 21 A 3.6634 7.9611 120.0615 55.0902 18.7425 178.7169 22 E 4.0237 8.3270 117.8475 59.2512 29.6504 179.0282 23 S 4.3901 7.5967 110.7190 58.6193 61.8502 175.4091 *25 L 4.2199 7.7650 120.9534 54.4749 43.6942 177.9858 26 E 4.0490 8.0959 117.9258 59.7124 29.1836 180.0289 27 S 4.0721 8.1449 109.6299 58.9796 61.8239 175.4149 *29 A 4.3174 8.1780 123.1552 51.7137 19.9103 180.0796 30 S 4.1281 8.0344 111.0902 61.3472 63.0657 176.0862 31 R 4.3613 7.3849 117.0199 57.0048 30.1057 181.6957 32 I 4.1748 7.2661 117.6049 61.3247 37.7250 174.9272 33 D 4.8157 8.1429 123.2422 53.7241 44.1778 174.6230 34 N 4.3703 9.1519 120.4067 54.2119 36.2255 174.7745 35 Y 4.6560 7.4514 116.6127 54.8762 38.7725 174.0369 36 P 4.4458 0.0000 0.0000 65.3028 31.8175 177.8314 37 E 4.0948 8.2533 117.1375 59.2346 29.5552 178.9302 38 L 4.1832 8.1529 119.9484 58.2258 42.2398 178.7749 39 R 3.8694 8.3215 118.5107 59.5013 29.9994 178.3350 40 A 4.1898 7.9955 121.8657 54.6107 18.3017 179.6280 41 R 3.4378 7.9200 117.3935 59.2556 29.8364 178.8236 42 I 3.6438 7.5951 119.7238 64.3803 36.5816 178.1902 43 E 3.9144 8.3591 119.6769 59.3962 29.2372 179.2867 44 Q 3.9058 8.1941 119.7334 59.4711 29.1240 177.7744 45 H 4.8606 8.2874 120.6129 58.3937 29.7779 176.9181 46 L 3.8944 8.2010 122.8438 58.2612 41.7157 179.1638 47 S 4.0885 7.8801 114.4891 61.6261 62.7969 176.5352 48 E 3.9478 8.1858 121.2566 59.7908 29.2051 179.6375 49 T 4.0252 8.2243 116.1677 66.4217 68.3278 176.8546 50 K 3.9075 8.1871 120.6280 59.6253 31.9730 178.8452 51 N 4.3304 7.9563 117.1795 56.6074 38.7737 176.9429 52 Q 4.2238 8.0962 121.0362 58.3583 28.6764 178.9235 53 I 3.6715 7.8012 120.8095 64.3684 37.2806 178.5679 54 V 3.5858 7.4546 119.1034 66.1860 30.9140 178.1307 55 Q 4.0167 8.3995 118.0464 58.9826 28.4624 178.7265 56 L 4.0751 8.3415 120.3970 57.7957 41.6121 179.3896 57 E 3.9956 8.5901 119.1031 59.4776 29.3239 179.4508 58 T 3.9058 7.8201 109.7370 64.7599 68.8496 176.8108 59 I 3.7411 7.5585 122.5264 63.9998 37.1393 178.1679 60 L 3.9064 8.1401 120.1242 58.0175 41.5250 179.2127 61 D 4.3332 8.1391 118.5856 57.6103 40.5839 178.9534 62 R 3.9596 7.9229 117.6432 59.1574 30.0741 177.2542 63 N 4.6917 7.8365 112.8632 51.9739 39.3161 174.4618 64 D 4.3786 8.0244 119.5624 55.4073 38.9780 172.6670 65 I 4.6699 7.6281 109.5643 59.2166 41.0993 174.2077 66 S 4.7548 8.0654 115.5311 55.8755 66.2794 174.4452 67 R 3.8778 8.2484 118.1906 56.5424 29.6575 176.5562 68 S 4.4609 8.3369 113.5693 57.5382 63.6358 175.2259 69 V 3.6290 8.3150 128.9685 65.8604 31.2431 177.8887 70 I 3.7116 7.6599 118.3841 64.4377 37.1282 178.0460 71 K 4.1628 7.9702 117.8163 59.5647 31.9913 178.7704 72 D 4.6339 8.3557 119.2739 57.4217 40.4522 178.6980 73 S 4.3460 7.7957 112.9758 59.1844 62.9640 175.3471 *75 S 4.5478 8.1646 121.0990 59.0358 64.5915 176.1484 76 K 4.1686 7.5755 122.8725 54.2102 30.5128 180.2180 *78 A 4.2355 7.9716 122.5872 52.8900 20.5394 178.0040 *91 D 4.2528 7.7663 114.9385 53.6126 43.2702 177.3191 92 E 3.8123 8.1484 119.7034 59.3245 29.5881 178.3819 93 I 3.6005 7.4630 118.0588 63.7603 37.9942 177.9757 94 V 3.3579 7.0631 118.6444 65.8877 31.4311 178.0552 95 K 4.0335 7.8462 118.4247 59.3688 31.7629 179.6558 96 G 3.5398 8.5384 106.4411 47.7812 0.0000 175.9458 97 S 4.1715 8.0266 117.5405 61.4286 62.8152 176.8613 98 I 3.7726 7.8273 122.3852 64.5758 36.8865 178.6153 99 S 4.2926 8.4687 116.3833 61.5789 62.6371 177.0770 100 G 3.6916 8.4471 108.5830 47.9019 0.0000 175.0131 101 Y 4.1505 8.2379 122.1477 60.5881 38.8455 178.4992 102 V 3.5265 8.1717 119.1474 65.9312 31.6306 177.7507 103 F 3.9578 8.4906 120.4823 61.2923 39.1676 176.9893 104 E 4.2643 8.3843 118.3147 59.5381 29.1862 179.3770 105 Q 3.8183 7.8898 118.2379 58.4784 28.5842 178.2878 106 F 4.1465 8.1496 121.9036 61.3146 39.2794 177.0225 107 E 3.3419 7.8410 118.0101 59.2052 29.1969 179.2508 108 I 3.6883 7.9051 119.8355 64.4817 37.2211 178.3041 109 A 3.8801 7.9297 121.3536 55.3764 18.1118 179.5281 110 C 3.7435 7.8132 115.4120 63.0067 27.9911 175.9907 111 Y 4.1694 7.8947 118.6367 61.0705 37.1154 178.3525 112 T 3.8583 8.1134 117.1045 66.5817 68.4737 176.5981 113 S 3.9719 7.9671 115.0526 61.2658 62.3995 175.9674 114 L 4.1383 8.0337 123.2068 58.0321 41.7679 178.7585 115 L 4.0215 8.2950 119.0348 57.9249 41.6038 179.4556 116 A 3.9741 7.8126 120.1064 54.9956 18.2201 179.5734 117 A 4.0178 8.3089 119.2531 55.3227 18.4925 179.7359 118 A 2.9982 8.4390 119.7259 54.7264 18.2809 179.7014 119 K 3.7683 8.1329 118.2420 59.7147 32.0595 178.5030 120 N 4.2361 7.9850 115.7682 56.6733 38.9630 176.4070 121 A 4.1018 7.8597 121.1602 52.9633 18.4210 178.2690 122 G 3.7258 7.4556 105.0466 46.5997 0.0000 175.0300 123 D 4.6745 7.8878 120.0943 53.1892 37.6935 176.7688 124 T 3.9046 7.6008 120.0546 66.4912 68.9121 176.1981 125 A 4.0917 7.9660 121.3561 54.7100 18.7599 178.9074 126 S 4.4369 8.0379 112.4078 60.1474 63.1069 176.5633 127 I 3.7638 7.5550 123.3617 63.9836 36.8551 176.5203 128 P 4.2605 0.0000 0.0000 65.4374 31.1429 178.9043 129 T 3.8684 7.8476 114.5922 66.5788 68.3898 176.5745 130 I 3.5534 7.7622 121.7609 64.2824 37.0731 178.0786 131 E 3.8470 8.4873 120.2079 59.1246 29.3755 178.6049 132 A 3.9461 8.0330 120.7516 55.2254 18.4298 179.6501 133 I 3.4518 7.6535 118.1452 64.3994 37.0731 178.2634 134 L 3.9006 7.7329 121.1944 58.4610 41.8460 178.8353 135 N 4.3181 8.3408 116.3320 56.3346 38.1956 177.3165 136 E 4.0916 7.7493 119.0671 59.2886 29.6121 178.8670 137 E 4.1927 8.0515 117.9416 59.3395 29.7644 179.1264 138 K 4.1783 8.2981 118.6869 59.7242 32.0876 179.6681 139 H 4.4556 8.1767 112.5613 56.6200 28.2975 177.0744 *141 A 4.4825 7.9321 126.0003 52.5208 20.5723 179.6380 142 D 4.4750 8.5984 115.9682 57.1839 40.9084 178.7822 143 W 4.0642 8.4701 128.7783 60.5616 30.7888 177.9698 144 L 4.3290 8.3872 118.4030 58.1194 41.0021 179.3194 145 I 3.4835 7.9427 117.2809 63.8681 37.8953 177.6358 146 Q 3.9675 7.9257 118.4756 58.4614 28.7373 177.4032 147 H 4.3183 7.5877 115.0643 56.1913 29.1674 177.1525 148 I 3.6484 7.5923 122.6060 64.0330 36.8410 176.3891 149 P 4.2064 0.0000 0.0000 65.4352 31.2062 178.4197 150 Q 3.9443 7.9201 117.9651 59.4594 28.9885 178.3112 151 T 4.0917 8.1430 116.8202 67.0538 68.5051 176.7779 152 T 3.9275 8.2520 118.0035 66.5832 68.3744 176.3027 153 E 3.9684 8.4845 121.2903 59.2011 29.6956 178.8750 154 K 3.9545 8.2719 118.5318 59.5277 31.9590 178.9491 155 F 4.3399 8.3071 120.7894 60.8244 39.6481 176.8667 156 L 4.0191 8.2774 118.5274 57.7655 41.3074 179.3742 157 I 3.6547 8.0299 120.0889 64.6609 36.9083 178.5388 158 R 4.0132 7.8719 116.8026 58.1843 30.0030 178.6681 159 S 4.1179 7.5512 116.0192 61.1572 63.1159 175.1619 160 E 4.2559 7.6103 126.3860 58.2704 29.7062 181.1090 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 8.33 4.35 0.00 3.87 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 -1 N 8.35 4.42 0.00 2.69 2.67 0.00 0.00 7.02 7.08 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 A 9.13 4.20 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 0 N 9.29 4.62 0.00 2.63 2.63 0.00 0.00 6.77 6.91 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 3 R 7.60 3.92 0.00 1.81 1.94 0.00 3.36 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 4 I 7.57 3.74 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.96 0.79 0.00 0.00 5 E 7.94 3.77 0.00 1.90 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 2.21 2.30 0.00 6 H 7.72 3.57 0.00 2.84 1.72 0.00 5.68 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 7 Y 7.52 4.22 0.00 2.94 3.06 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 8 H 8.31 3.96 0.00 3.24 3.22 0.00 5.70 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 9 D 8.17 4.36 0.00 2.57 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 10 W 8.19 4.67 0.00 3.57 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 11 L 8.08 3.98 0.00 1.69 1.60 0.32 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.08 3.96 0.00 2.00 1.98 0.00 3.11 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 13 D 8.39 4.42 0.00 2.88 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 14 A 8.01 3.98 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 15 H 8.42 4.25 0.00 3.24 3.49 0.00 5.60 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 16 A 7.88 4.45 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.36 0.00 2.17 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 0.00 2.62 2.39 0.00 19 K 8.12 3.94 0.00 1.97 1.87 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.63 1.62 7.81 20 Q 8.12 3.92 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 21 A 7.96 3.66 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 22 E 8.33 4.02 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 2.28 2.28 0.00 23 S 7.60 4.39 0.00 3.94 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 *25 L 7.77 4.22 0.00 1.65 1.72 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.10 4.05 0.00 2.19 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 0.00 2.31 2.34 0.00 27 S 8.14 4.07 0.00 3.83 3.77 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 *29 A 8.18 4.32 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 30 S 8.03 4.13 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.38 4.36 0.00 1.89 1.87 0.00 3.26 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 32 I 7.27 4.17 1.92 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 1.18 0.95 1.04 0.00 0.00 33 D 8.14 4.82 0.00 2.61 2.55 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 34 N 9.15 4.37 0.00 2.94 2.73 0.00 0.00 6.75 7.46 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 35 Y 7.45 4.66 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.45 0.00 2.20 2.12 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 37 E 8.25 4.09 0.00 2.29 2.38 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 2.54 2.48 0.00 38 L 8.15 4.18 0.00 2.04 2.03 1.13 0.84 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 39 R 8.32 3.87 0.00 2.05 1.95 0.00 3.37 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 40 A 8.00 4.19 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.92 3.44 0.00 0.67 1.10 0.00 2.57 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 42 I 7.60 3.64 1.98 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 0.60 0.89 0.00 0.00 43 E 8.36 3.91 0.00 2.10 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 2.31 2.44 0.00 44 Q 8.19 3.91 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 45 H 8.29 4.86 0.00 3.31 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.20 3.89 0.00 1.74 1.83 0.92 1.00 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 47 S 7.88 4.09 0.00 4.04 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 48 E 8.19 3.95 0.00 2.06 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 0.00 2.31 2.45 0.00 49 T 8.22 4.03 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 50 K 8.19 3.91 0.00 1.92 1.85 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.63 7.81 51 N 7.96 4.33 0.00 2.79 2.94 0.00 0.00 7.21 7.49 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 52 Q 8.10 4.22 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 53 I 7.80 3.67 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.89 0.00 0.00 54 V 7.45 3.59 2.24 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 1.03 0.00 0.00 0.98 0.00 0.00 55 Q 8.40 4.02 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 56 L 8.34 4.08 0.00 1.89 1.80 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.59 4.00 0.00 2.16 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 2.35 2.51 0.00 58 T 7.82 3.91 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 1.24 0.00 0.00 59 I 7.56 3.74 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.08 0.95 0.00 0.00 60 L 8.14 3.91 0.00 1.80 1.87 0.87 1.20 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 61 D 8.14 4.33 0.00 2.90 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 62 R 7.92 3.96 0.00 1.96 2.15 0.00 3.29 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 63 N 7.84 4.69 0.00 2.91 2.76 0.00 0.00 7.13 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 64 D 8.02 4.38 0.00 2.80 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 65 I 7.63 4.67 1.75 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.66 0.00 0.00 66 S 8.07 4.75 0.00 3.79 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 67 R 8.25 3.88 0.00 1.70 1.58 0.00 3.18 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 68 S 8.34 4.46 0.00 3.90 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.32 3.63 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 1.02 0.00 0.00 0.93 0.00 0.00 70 I 7.66 3.71 1.88 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 1.64 0.65 0.92 0.00 0.00 71 K 7.97 4.16 0.00 1.76 1.92 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 72 D 8.36 4.63 0.00 2.89 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 73 S 7.80 4.35 0.00 4.00 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 *75 S 8.16 4.55 0.00 4.14 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.58 4.17 0.00 1.75 1.73 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.26 7.81 *78 A 7.97 4.24 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 *91 D 7.77 4.25 0.00 2.71 2.66 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 92 E 8.15 3.81 0.00 2.01 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 2.34 2.32 0.00 93 I 7.46 3.60 1.60 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.57 0.59 0.00 0.00 94 V 7.06 3.36 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 0.89 0.00 0.00 0.49 0.00 0.00 95 K 7.85 4.03 0.00 1.74 1.79 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.53 7.81 96 G 8.54 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 0.00 0.00 0.00 97 S 8.03 4.17 0.00 4.01 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 98 I 7.83 3.77 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.95 0.00 0.00 99 S 8.47 4.29 0.00 4.03 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 0.00 100 G 8.45 3.69 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 0.00 0.00 0.00 101 Y 8.24 4.15 0.00 3.15 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 V 8.17 3.53 2.28 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 0.93 0.00 0.00 1.08 0.00 0.00 103 F 8.49 3.96 0.00 3.30 3.24 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 0.00 104 E 8.38 4.26 0.00 2.06 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 0.00 2.66 2.54 0.00 105 Q 7.89 3.82 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 106 F 8.15 4.15 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.84 3.34 0.00 2.21 2.02 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 2.13 2.35 0.00 108 I 7.91 3.69 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.88 0.00 0.00 109 A 7.93 3.88 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 0.00 110 C 7.81 3.74 0.00 2.28 2.33 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 0.00 111 Y 7.89 4.17 0.00 2.91 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 0.00 112 T 8.11 3.86 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 113 S 7.97 3.97 0.00 3.65 3.69 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 0.00 114 L 8.03 4.14 0.00 2.01 1.97 1.21 0.97 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 0.00 115 L 8.29 4.02 0.00 1.92 1.73 0.93 0.75 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 0.00 116 A 7.81 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.31 4.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.44 3.00 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 0.00 119 K 8.13 3.77 0.00 1.89 1.95 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 120 N 7.98 4.24 0.00 2.76 2.94 0.00 0.00 7.27 7.58 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 0.00 121 A 7.86 4.10 0.98 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 0.00 122 G 7.46 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 0.00 123 D 7.89 4.67 0.00 2.87 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 0.00 124 T 7.60 3.90 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 0.00 125 A 7.97 4.09 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 0.00 126 S 8.04 4.44 0.00 4.24 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 0.00 127 I 7.56 3.76 2.03 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 1.54 0.89 0.92 0.00 0.00 128 P 0.00 4.26 0.00 2.15 2.09 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 129 T 7.85 3.87 4.38 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 1.19 0.00 0.00 130 I 7.76 3.55 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.98 0.00 0.00 131 E 8.49 3.85 0.00 2.07 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 2.29 2.32 0.00 132 A 8.03 3.95 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 0.00 133 I 7.65 3.45 1.36 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 1.34 0.54 0.31 0.00 0.00 134 L 7.73 3.90 0.00 1.75 1.85 1.01 0.85 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 0.00 135 N 8.34 4.32 0.00 2.93 2.90 0.00 0.00 7.07 7.53 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 0.00 136 E 7.75 4.09 0.00 2.10 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 0.00 2.37 2.50 0.00 137 E 8.05 4.19 0.00 2.10 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 2.65 2.70 0.00 138 K 8.30 4.18 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.62 7.81 139 H 8.18 4.46 0.00 3.36 3.35 0.00 5.65 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 *141 A 7.93 4.48 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 0.00 142 D 8.60 4.48 0.00 3.03 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 0.00 143 W 8.47 4.06 0.00 3.60 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 0.00 144 L 8.39 4.33 0.00 2.23 1.94 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 145 I 7.94 3.48 1.45 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.40 1.02 0.00 0.00 146 Q 7.93 3.97 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 147 H 7.59 4.32 0.00 2.73 3.04 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.59 3.65 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.83 0.00 0.00 149 P 0.00 4.21 0.00 2.08 2.04 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 150 Q 7.92 3.94 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 151 T 8.14 4.09 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 152 T 8.25 3.93 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 1.26 0.00 0.00 153 E 8.48 3.97 0.00 2.14 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 2.32 2.42 0.00 154 K 8.27 3.95 0.00 2.32 1.96 0.00 1.92 0.00 0.00 1.48 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.66 7.81 155 F 8.31 4.34 0.00 3.11 3.37 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 0.00 156 L 8.28 4.02 0.00 1.92 1.72 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 157 I 8.03 3.65 2.00 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 1.51 0.79 0.88 0.00 0.00 158 R 7.87 4.01 0.00 1.68 1.92 0.00 3.13 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 159 S 7.55 4.12 0.00 3.81 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 7.61 4.26 0.00 2.05 1.76 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 2.26 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.