NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5496 8.2993 120.0958 55.9363 34.5900 175.5576 3 T 4.8377 8.0467 108.2163 58.8437 72.0180 172.5388 4 F 4.8328 10.2679 127.8760 56.7930 42.1777 175.1896 5 I 4.8488 8.0340 127.1199 59.7760 39.4411 174.5571 6 I 5.0407 9.2699 128.1474 59.4594 40.2997 174.6709 7 G 3.8592 9.3441 114.2922 44.3596 0.0000 172.5554 8 I 5.2500 8.6123 124.1631 59.8584 41.1245 174.1979 9 S 5.7642 9.3644 122.4088 55.4785 66.2945 172.3315 10 G 3.7226 8.6990 105.9741 42.3925 0.0000 172.9223 11 V 3.8127 7.5285 120.3884 61.1080 31.8094 175.4452 12 T 3.9264 8.2467 114.9205 63.4811 67.5236 173.1491 13 N 4.3046 8.7750 123.9001 54.4842 35.9978 175.4751 14 S 4.2983 7.6233 113.1418 58.9586 63.9677 174.6106 15 G 4.2624 8.2146 111.2146 46.0128 0.0000 176.3811 16 K 3.9440 8.4913 120.7643 59.5027 32.2276 178.8458 17 T 3.8683 7.9249 115.4754 67.1028 68.4930 176.5855 18 T 3.8433 7.8003 117.0023 66.4523 68.5366 176.4109 19 L 3.9596 7.9103 121.8305 57.8977 42.0542 178.6694 20 A 4.0008 8.1761 120.8949 55.3453 18.3512 179.7590 21 K 3.8740 8.1372 116.8160 59.5593 31.8496 179.2797 22 N 3.9691 7.6896 115.2488 56.1795 38.7593 176.9101 23 L 4.4556 7.9092 120.1405 58.2723 41.9350 179.2320 24 Q 4.0216 8.2985 119.3360 59.6206 28.6111 179.1035 25 K 4.0909 7.8173 118.2283 58.7952 32.0348 178.1388 26 H 4.8714 7.7136 113.7851 54.3066 29.5098 174.1299 27 L 4.9821 7.1096 119.7918 52.1976 44.0518 174.7093 28 P 4.4615 0.0000 0.0000 63.3247 33.0989 175.3762 29 N 4.1500 8.6487 116.9918 55.2667 37.1328 172.8831 30 C 5.4921 7.8375 116.5642 57.9345 34.8045 173.8927 31 S 5.0350 9.8065 122.4127 56.7608 66.4688 173.0257 32 V 4.9235 8.2211 119.9280 61.3198 34.5833 174.5527 33 I 4.6824 8.7503 127.4347 59.6715 40.8372 174.3215 34 S 5.3034 8.6638 122.7639 56.7604 64.3939 175.2557 35 Q 4.1543 9.3047 126.5799 58.6451 29.0548 177.6732 36 D 4.5985 8.1263 116.1727 56.8441 41.1607 176.7376 37 D 4.5658 8.1171 117.3415 55.5433 41.0942 176.5427 38 F 4.7941 7.8773 118.3427 57.1519 40.2881 175.3851 39 F 4.9249 8.3361 117.3331 57.2568 39.5053 175.8100 40 K 4.5089 9.2703 122.6534 55.3113 32.8665 175.4373 41 P 4.4767 0.0000 0.0000 62.5960 32.1589 176.8013 42 E 3.9870 9.0508 120.4982 59.5853 29.4735 179.2322 43 S 4.2956 8.0990 111.0730 60.2618 63.1177 174.3020 44 E 4.4538 8.0012 119.3844 56.5116 30.2127 176.2751 45 I 3.9967 7.2996 119.8237 61.1183 37.4788 175.1533 46 E 4.9219 8.5855 123.0707 54.7198 33.4705 174.7454 47 T 4.9965 8.2048 111.4328 59.8117 71.1412 174.1260 48 D 4.7018 9.0437 126.1474 52.5282 40.5312 176.7216 49 K 3.8032 8.7327 117.5877 59.8513 31.9107 177.5603 50 N 4.5457 8.3083 113.5465 52.5238 38.6856 174.9814 51 G 3.7599 7.9147 105.1745 47.0840 0.0000 174.7744 52 F 5.3233 8.5100 117.6544 55.0486 41.3652 175.7881 53 L 4.5399 8.8296 126.4230 55.0495 41.9633 178.5464 54 Q 4.3841 9.6118 125.1577 55.7037 26.5853 174.9503 55 Y 4.6420 8.2579 118.6998 59.2648 39.3964 176.0301 56 D 5.4667 8.4086 118.9090 54.5994 41.6798 176.5689 57 V 4.6040 7.7052 110.5085 59.2781 36.1269 176.9462 58 L 3.8769 8.6368 122.6491 58.0009 41.5913 179.2749 59 E 4.0961 8.2560 115.9869 58.2346 29.7112 177.0712 60 A 4.6544 8.3628 121.6866 51.6677 19.3105 176.2609 61 L 5.2261 7.5808 116.1041 53.1978 45.1076 176.3833 62 N 4.5866 9.0929 121.0240 52.8452 39.3914 176.0404 *64 E 4.2717 8.5373 118.5422 56.3979 32.2382 177.2979 65 K 4.3074 7.3821 120.3989 56.2162 29.9174 176.9512 *68 S 4.3337 7.9114 116.0700 58.0823 64.6591 175.5677 69 A 4.1413 7.8435 121.4373 55.1021 17.7602 179.7088 70 I 3.8144 7.5692 117.4093 64.4914 37.3679 178.2677 71 S 4.3237 7.8935 114.8584 61.6454 63.0611 175.9187 72 C 4.4488 8.3030 119.4993 62.5603 27.9560 176.4836 73 W 3.9576 7.8750 125.9620 58.4384 29.7594 176.9995 *75 E 4.2000 8.1522 117.8629 55.8386 30.7964 177.7545 76 S 4.2372 7.8977 112.3088 59.9044 63.6940 175.2585 77 A 3.7003 7.4335 124.7226 54.9286 18.1005 179.9521 78 R 4.2164 7.0647 109.4979 57.2109 29.2046 176.7026 79 H 4.7833 8.2377 115.0599 55.2577 30.0637 173.3049 *92 I 3.9710 7.8372 119.0678 60.0805 38.7890 173.2815 93 P 4.7897 0.0000 0.0000 63.1706 32.5981 175.3065 94 I 5.2755 9.4895 124.4384 59.4832 41.0229 174.1178 95 L 4.6994 8.7816 128.2304 53.1479 44.6456 174.8591 96 I 4.8008 8.8112 128.0589 59.9375 39.3543 174.7873 97 I 4.8500 9.2504 129.5405 59.7178 38.9415 174.4366 98 E 5.1848 8.7257 126.1981 54.2052 32.3026 175.5588 99 G 4.5601 8.0257 109.4742 46.1740 0.0000 174.1543 100 F 4.8737 9.4688 116.4799 57.8720 38.4849 175.8311 101 L 3.3956 7.2767 122.5444 52.4741 41.5293 174.5277 102 L 4.6618 7.8030 121.5609 55.0547 44.5363 178.0415 103 F 5.6101 8.4761 115.1943 57.8731 38.7512 175.5699 104 N 5.0807 8.6023 116.1417 52.5321 37.7764 173.3797 105 Y 4.6107 7.8859 120.6927 56.0578 39.4752 176.0018 106 K 4.1324 8.3922 129.5500 58.5785 31.9228 177.1773 107 P 4.0678 0.0000 0.0000 65.5257 31.4270 178.1211 108 L 3.6606 7.6384 117.1237 56.6929 41.2090 178.6633 109 D 3.5669 7.6017 119.2947 57.0621 40.4460 178.0077 110 T 4.2179 7.1847 107.1523 62.0153 69.9229 175.3725 111 I 4.1652 6.8541 123.1453 62.3702 39.7618 176.7074 112 W 4.6317 7.2465 118.5293 57.5606 29.3354 175.0924 113 N 4.7193 8.6793 118.3260 54.1016 40.6671 175.4623 114 R 4.4952 7.5106 117.8529 55.0459 33.9734 173.9037 115 S 4.8928 8.3291 121.4391 56.7967 66.4250 172.3846 116 Y 5.1756 9.3679 122.2567 56.0461 41.5787 174.5358 117 F 5.2100 9.1201 125.3493 56.3693 42.2013 173.7844 118 L 4.8339 8.1893 127.1186 54.6385 42.5341 176.6825 119 T 4.8744 9.1628 120.0934 61.8056 71.8301 172.9231 120 I 4.9617 8.3642 124.9616 58.4309 41.5174 173.1476 121 P 4.6820 0.0000 0.0000 62.3718 32.3734 176.8290 122 Y 3.1696 8.7161 120.3033 60.9363 38.2017 178.3451 123 E 3.7568 8.1177 118.7738 58.8797 29.5272 178.6660 124 E 3.9132 7.9226 119.1334 58.8493 29.7955 177.9942 125 C 4.0109 7.9868 118.7372 62.3815 31.5142 175.3316 126 K 2.4800 7.0363 119.6543 58.8896 31.7292 178.4377 127 R 3.8327 7.2717 118.4030 59.5116 30.0875 178.5839 128 R 3.8579 7.9651 118.0314 59.3645 29.9206 178.9565 129 R 4.1340 8.1569 118.9308 59.4057 29.8200 178.2355 130 S 4.3473 7.5343 111.9304 60.0810 63.3305 175.3697 131 T 4.3209 7.5450 112.3953 61.1038 69.1906 174.1199 132 R 4.2303 7.1862 122.8486 54.3328 31.6883 175.1553 133 V 3.8855 8.1158 125.7418 62.1180 31.0004 175.0526 134 Y 4.1546 8.3995 125.7968 57.1570 39.2576 174.9898 135 Q 4.2426 8.1144 121.4797 54.0703 30.7028 172.5304 136 P 4.4000 0.0000 0.0000 61.7581 32.0675 174.6526 137 P 4.3617 0.0000 0.0000 62.2727 31.8702 176.2015 138 D 4.0610 8.5419 121.6364 54.2840 40.8823 176.9081 139 S 4.4221 8.1052 119.1439 57.0539 63.5633 171.9005 140 P 4.3774 0.0000 0.0000 63.6461 31.6217 177.2259 141 G 4.1000 8.9634 110.3541 47.1571 0.0000 175.1964 142 Y 3.8716 7.6912 119.8825 59.8032 38.7539 176.6180 143 F 3.9566 8.2068 121.2297 61.5313 39.4467 176.8050 144 D 4.5103 8.1859 116.7116 57.1841 40.8479 178.5319 145 G 3.5649 7.8354 105.2789 46.6643 0.0000 173.3676 146 H 4.3704 7.3978 117.6330 57.5721 31.8248 174.4917 147 V 3.4972 7.1950 116.8401 65.7081 31.7488 176.9615 148 W 3.9992 8.2554 129.6084 60.0927 30.7722 176.5038 149 P 4.0444 0.0000 0.0000 63.8860 31.0574 177.2813 *151 Y 4.7117 7.7313 119.2846 57.4906 40.6452 176.7417 152 L 3.1957 7.4962 119.2071 57.9300 41.6458 179.8429 153 K 3.9285 7.9592 118.9399 59.2677 31.8090 178.2237 154 Y 4.2751 8.4830 120.5762 60.5064 38.8464 177.2488 155 R 3.4983 7.2878 117.6669 58.9695 30.1474 178.2600 156 Q 3.9955 7.6181 118.6050 58.2654 29.7503 176.6416 157 E 4.2026 7.4700 120.3773 56.3112 28.8810 177.4964 *159 Q 4.1706 7.8977 117.1146 55.6220 31.1229 176.5955 160 D 4.4910 7.9005 115.9899 55.2642 41.6537 176.7973 161 I 3.1212 7.2865 118.6658 61.8638 37.1728 175.3483 162 T 4.1825 8.3436 114.6855 62.2519 69.8932 174.8631 163 W 4.5228 7.7762 118.2900 55.2276 30.1646 174.1373 164 E 4.1981 8.7852 119.3625 54.9073 29.5075 175.0475 165 V 4.0333 7.7850 126.6427 60.9218 33.1948 174.9940 166 V 3.9384 8.2738 129.3341 62.6203 32.4314 174.3448 167 Y 4.9628 8.8082 126.1544 57.3697 39.0240 174.9156 168 L 4.8706 9.3392 123.7331 53.0058 45.5822 175.5627 169 D 4.9189 8.7610 122.6952 52.9570 41.2354 177.0342 170 G 3.8493 9.1906 115.9774 47.2419 0.0000 172.9717 171 T 4.1458 7.9361 109.5815 62.9464 69.3999 175.2151 172 K 4.2172 7.6747 121.6982 55.6933 32.8799 176.9016 173 S 4.2572 8.3617 113.6877 58.5674 63.8329 174.4138 174 E 3.9470 8.7570 127.5388 59.0448 29.4943 178.7278 175 E 4.2562 8.0828 117.4657 58.6852 30.0304 178.6163 176 D 4.3694 7.9503 119.6706 57.2702 41.1312 178.3715 177 L 4.0036 8.1986 119.6920 57.6543 41.6262 179.2705 178 F 4.2458 7.9680 120.2402 61.4947 39.2671 177.2599 179 L 3.6977 8.0538 118.5268 57.6184 41.4114 179.2154 180 Q 4.0566 8.2119 119.6598 59.1119 28.8618 178.5789 181 V 3.5159 7.5616 118.7752 65.7141 31.2496 177.2500 182 Y 4.1394 8.1832 119.6181 60.7479 38.4985 178.0918 183 E 3.7682 8.2657 119.4006 59.5056 29.7472 178.6458 184 D 4.3887 7.6042 117.2425 57.6652 41.2200 178.4809 185 L 4.1231 8.2527 119.3904 57.6160 41.7029 179.1614 186 I 3.8922 7.2534 118.7061 62.8426 36.9507 177.0655 187 Q 4.4630 7.5312 117.4803 55.7573 29.0928 175.7993 188 E 4.5817 7.6540 120.2739 57.4492 32.0556 178.1058 189 L 3.9993 7.6934 116.8416 56.4488 42.3427 178.2149 190 A 4.1067 7.9558 122.0268 55.1384 18.3413 179.1202 191 K 4.3301 7.3541 112.5887 57.1667 32.1206 177.2930 192 Q 4.2524 7.9183 124.0058 56.1436 29.1512 175.6292 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 K 8.30 4.55 0.00 1.67 1.94 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 3 T 8.05 4.84 4.72 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 1.13 0.00 0.00 4 F 10.27 4.83 0.00 3.12 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 5 I 8.03 4.85 1.99 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 1.36 0.81 0.92 0.00 0.00 6 I 9.27 5.04 2.04 0.00 0.00 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 1.53 1.08 1.25 0.00 0.00 7 G 9.34 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 0.00 0.00 0.00 8 I 8.61 5.25 1.90 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 1.25 1.02 0.93 0.00 0.00 9 S 9.36 5.76 0.00 3.07 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 10 G 8.70 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 11 V 7.53 3.81 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 0.00 0.00 0.63 0.00 0.00 0.60 0.00 0.00 12 T 8.25 3.93 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 1.34 0.00 0.00 13 N 8.77 4.30 0.00 2.92 2.89 0.00 0.00 7.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.62 4.30 0.00 3.96 3.96 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 0.00 0.00 0.00 15 G 8.21 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 0.00 0.00 0.00 16 K 8.49 3.94 0.00 1.90 1.92 0.00 1.85 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.50 7.81 17 T 7.92 3.87 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 18 T 7.80 3.84 4.36 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 1.17 0.00 0.00 19 L 7.91 3.96 0.00 1.90 1.80 0.98 0.93 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 20 A 8.18 4.00 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 21 K 8.14 3.87 0.00 1.73 1.82 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.60 7.81 22 N 7.69 3.97 0.00 2.74 1.96 0.00 0.00 7.08 7.15 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 23 L 7.91 4.46 0.00 1.95 1.89 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.30 4.02 0.00 2.13 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 25 K 7.82 4.09 0.00 1.61 1.58 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.64 7.81 26 H 7.71 4.87 0.00 3.03 3.26 0.00 5.79 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.11 4.98 0.00 1.85 1.68 1.09 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.46 0.00 2.23 2.10 0.00 4.02 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 N 8.65 4.15 0.00 2.98 2.88 0.00 0.00 6.48 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 30 C 7.84 5.49 0.00 3.09 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 31 S 9.81 5.04 0.00 3.73 3.79 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 32 V 8.22 4.92 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 0.83 0.00 0.00 1.01 0.00 0.00 33 I 8.75 4.68 1.85 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 1.22 0.42 1.00 0.00 0.00 34 S 8.66 5.30 0.00 4.12 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 35 Q 9.30 4.15 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 36 D 8.13 4.60 0.00 2.86 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 37 D 8.12 4.57 0.00 2.40 2.42 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 38 F 7.88 4.79 0.00 3.02 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 39 F 8.34 4.92 0.00 3.05 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 40 K 9.27 4.51 0.00 1.69 1.81 0.00 1.85 0.00 0.00 1.97 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.59 7.81 41 P 0.00 4.48 0.00 2.25 2.22 0.00 3.81 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 2.14 2.02 0.00 42 E 9.05 3.99 0.00 2.08 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 2.45 2.47 0.00 43 S 8.10 4.30 0.00 4.03 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 44 E 8.00 4.45 0.00 2.12 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 2.28 2.27 0.00 45 I 7.30 4.00 1.74 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 -0.04 0.27 0.00 0.00 46 E 8.59 4.92 0.00 1.88 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 2.27 2.24 0.00 47 T 8.20 5.00 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 1.22 0.00 0.00 48 D 9.04 4.70 0.00 3.01 3.14 0.00 0.00 0.00 0.00 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7.91 4.33 0.00 3.90 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 69 A 7.84 4.14 1.48 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 70 I 7.57 3.81 1.80 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 1.52 0.43 0.84 0.00 0.00 71 S 7.89 4.32 0.00 4.02 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 72 C 8.30 4.45 0.00 3.24 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 73 W 7.88 3.96 0.00 3.42 3.39 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 *75 E 8.15 4.20 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.74 0.00 76 S 7.90 4.24 0.00 3.96 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 77 A 7.43 3.70 0.46 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.11 4.42 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.38 0.00 2.29 2.09 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 2.15 2.13 0.00 141 G 8.96 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 0.00 0.00 0.00 142 Y 7.69 3.87 0.00 3.38 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.21 3.96 0.00 3.17 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 0.00 144 D 8.19 4.51 0.00 2.79 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 0.00 145 G 7.84 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 0.00 0.00 0.00 146 H 7.40 4.37 0.00 2.19 2.15 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.20 3.50 1.87 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 0.87 0.00 0.00 0.66 0.00 0.00 148 W 8.26 4.00 0.00 2.77 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.04 0.00 2.12 2.05 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 *151 Y 7.73 4.71 0.00 2.84 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 L 7.50 3.20 0.00 1.68 1.54 1.04 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.96 3.93 0.00 1.85 1.77 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 154 Y 8.48 4.28 0.00 2.75 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 0.00 155 R 7.29 3.50 0.00 1.54 1.63 0.00 3.02 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 156 Q 7.62 4.00 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.66 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 157 E 7.47 4.20 0.00 2.14 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 2.36 2.56 0.00 *159 Q 7.90 4.17 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 160 D 7.90 4.49 0.00 2.63 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 0.00 161 I 7.29 3.12 1.33 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.09 -0.58 0.00 0.00 162 T 8.34 4.18 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 1.25 0.00 0.00 163 W 7.78 4.52 0.00 3.39 3.29 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 0.00 164 E 8.79 4.20 0.00 1.93 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 2.13 2.23 0.00 165 V 7.78 4.03 1.47 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 0.03 0.00 0.00 0.01 0.00 0.00 166 V 8.27 3.94 1.88 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 1.17 0.00 0.00 0.78 0.00 0.00 167 Y 8.81 4.96 0.00 2.96 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 0.00 168 L 9.34 4.87 0.00 1.60 1.60 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.76 4.92 0.00 2.80 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 0.00 170 G 9.19 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.94 4.15 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 0.00 172 K 7.67 4.22 0.00 1.97 1.84 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 173 S 8.36 4.26 0.00 3.90 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 0.00 174 E 8.76 3.95 0.00 2.07 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 2.35 2.35 0.00 175 E 8.08 4.26 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 176 D 7.95 4.37 0.00 2.96 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 0.00 177 L 8.20 4.00 0.00 1.72 1.74 0.94 1.08 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 0.00 178 F 7.97 4.25 0.00 3.02 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 0.00 179 L 8.05 3.70 0.00 1.85 1.65 0.99 0.79 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 0.00 180 Q 8.21 4.06 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 181 V 7.56 3.52 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 0.45 0.00 0.00 0.52 0.00 0.00 182 Y 8.18 4.14 0.00 2.16 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 0.00 183 E 8.27 3.77 0.00 2.00 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 2.28 2.61 0.00 184 D 7.60 4.39 0.00 3.07 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 0.00 185 L 8.25 4.12 0.00 2.04 1.65 1.33 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.25 3.89 1.75 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.76 0.00 0.00 187 Q 7.53 4.46 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 188 E 7.65 4.58 0.00 2.26 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 2.40 2.55 0.00 189 L 7.69 4.00 0.00 1.53 1.57 0.77 0.39 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 0.00 190 A 7.96 4.11 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 0.00 191 K 7.35 4.33 0.00 2.01 1.86 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.41 7.81 192 Q 7.92 4.25 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.