NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4533 8.3301 116.7962 58.8453 63.6300 173.0651 11 A 4.6265 7.6975 120.6815 51.4062 20.1719 174.4484 12 D 4.8921 8.3767 119.3079 54.0853 45.0879 174.9210 13 G 4.1270 8.2855 113.9074 44.4939 0.0000 172.6422 14 L 3.7057 8.2706 119.2285 58.4692 41.9307 179.9974 15 L 3.9974 7.7510 117.9091 57.6489 41.8500 179.3580 16 A 4.0033 7.9419 120.3231 55.2599 18.0832 179.7290 17 S 4.1314 8.2515 113.5160 61.7275 62.7182 176.7621 18 A 3.6306 7.9747 122.4189 55.0921 18.0857 179.6304 19 R 3.9573 7.6957 115.6497 59.0572 30.1913 178.7169 20 A 4.0804 7.6310 119.5217 53.6662 18.7641 177.9419 21 I 4.1182 6.6983 117.3764 60.7091 38.1557 175.5676 22 K 4.7103 8.2464 121.9672 54.6881 35.7492 176.0975 23 S 4.6415 8.3048 115.4530 57.1101 65.6854 173.9918 24 K 4.3035 8.8884 122.1779 55.5071 32.3954 176.2794 25 G 3.9250 7.3287 106.8990 44.6118 0.0000 170.1855 26 P 4.2765 0.0000 0.0000 62.7092 31.5006 176.1408 27 A 4.3581 8.6002 126.6281 50.9766 20.0311 175.9381 28 P 4.3973 0.0000 0.0000 61.6309 30.4981 177.8821 29 V 2.9595 7.0319 114.0033 64.6411 32.2258 177.9083 30 H 4.5403 7.7415 114.7603 56.1219 28.7417 175.9157 31 L 4.1381 7.4596 120.1308 55.6247 41.8465 176.8430 32 W 5.1128 7.3805 118.4063 55.1595 31.4545 176.1854 33 N 5.0726 8.5028 119.1708 51.3231 38.6807 171.7953 34 P 4.7321 0.0000 0.0000 61.6480 33.1541 176.1174 35 P 4.5717 0.0000 0.0000 62.3237 32.4849 175.7774 36 F 4.5252 8.8509 124.3706 58.5012 39.6728 174.2824 37 N 4.4645 8.6907 124.0855 53.1146 38.6422 174.7478 38 G 3.3796 5.6027 104.9927 44.4382 0.0000 172.7195 39 D 5.1736 8.4361 118.3125 53.2572 41.9898 176.2613 40 I 4.6297 7.9164 116.6603 59.2597 40.0022 174.6546 41 D 4.3736 8.2986 122.7955 53.5824 42.2682 174.9122 *43 R 4.3097 8.4480 125.9960 56.2931 31.9551 174.0678 44 I 4.3575 7.9819 127.4988 59.5884 37.9198 175.7393 45 A 4.6060 9.2981 130.6063 51.0204 18.9893 178.0192 46 R 3.8390 8.6147 120.0935 59.3220 29.9630 177.0334 47 D 4.5928 8.0891 114.3512 53.1492 39.7843 177.0444 48 G 3.9089 8.3933 109.5072 45.3900 0.0000 174.0648 49 T 4.3099 8.3034 117.7973 63.2372 69.8591 173.7172 50 W 5.1601 8.9467 125.8049 55.6672 31.1485 175.0992 51 F 5.3469 9.4372 123.2361 55.7956 41.4611 174.1399 52 Y 4.8700 9.1802 124.2450 56.3575 41.3980 175.3952 53 Q 3.5576 8.9576 125.1701 55.6265 27.0222 175.0736 54 G 3.9930 8.6566 104.8278 45.5154 0.0000 174.0157 55 T 4.7343 7.8894 117.5395 60.6790 70.5092 172.5658 56 P 4.1934 0.0000 0.0000 62.5939 31.9736 175.9111 57 I 4.2500 7.8951 121.0786 60.1244 37.8770 176.2953 58 N 4.6458 8.0788 127.3144 50.5286 37.7862 174.7420 59 R 4.5664 7.2136 119.0857 54.7626 32.2141 172.2881 60 P 4.1971 0.0000 0.0000 65.6675 32.2829 179.1358 61 A 4.0205 7.9644 117.2978 53.5867 18.4149 178.7219 *63 V 3.2738 7.7676 119.3614 63.6130 33.4247 178.0151 64 R 3.8764 7.8869 118.9653 58.7843 29.5414 178.7339 65 L 3.7846 7.4019 119.2601 58.3390 42.4589 178.9024 66 F 4.5277 7.6220 117.1014 60.6294 38.8286 177.7738 67 S 4.6061 8.1543 115.2434 61.4102 62.5520 176.6381 68 S 4.4334 8.4034 117.2512 60.3259 62.4378 175.2839 69 I 4.9399 7.5992 115.7069 60.5702 38.6960 175.3429 70 L 4.8459 8.0034 122.5573 55.4853 42.2319 176.6101 71 K 4.7134 9.3125 123.7249 54.7985 35.9631 174.5326 72 R 4.8095 8.7995 127.1809 54.7789 31.7114 175.0741 73 E 4.6969 8.6352 125.2038 55.7604 33.8222 175.5965 74 E 3.6647 8.4992 123.2329 57.8386 28.9682 175.2123 75 D 4.5757 8.9023 125.7057 53.8098 39.9066 175.6286 76 R 4.4065 7.7983 119.7931 54.7030 32.6819 174.5972 77 F 5.3739 7.8891 116.3653 56.1121 42.8865 174.0201 78 Y 5.2989 9.2660 118.9630 56.3612 42.9117 174.0162 79 L 5.3864 9.1618 121.4564 53.3069 44.0686 175.9073 80 V 5.0889 9.0587 124.0705 61.4202 33.9841 174.7487 81 T 4.5405 8.8977 117.5116 58.7080 71.3748 173.1513 82 P 3.3183 0.0000 0.0000 64.4557 31.1664 177.9000 83 V 4.2113 6.8671 109.2406 61.1592 33.5703 175.3429 84 E 4.9311 8.1070 119.9159 54.2074 33.6269 174.1177 85 K 5.2155 8.8388 124.8415 54.9131 35.5705 175.2165 86 V 5.0245 9.0548 120.4248 59.4224 35.6413 175.1328 87 G 4.6761 9.4957 111.8987 45.3091 0.0000 172.7612 88 I 4.8798 8.2410 117.2538 58.9097 41.1224 174.6851 89 R 4.5269 8.1271 120.9745 54.6237 32.2384 175.6447 90 V 4.2459 7.9903 122.5740 61.1437 33.1756 174.7974 91 D 4.1464 8.8138 128.5474 58.5608 41.4196 177.2268 92 D 4.6943 8.3574 111.3558 53.8017 41.9573 175.4812 93 A 4.7489 8.6458 116.7558 49.3557 22.2568 176.3968 94 P 3.8861 0.0000 0.0000 64.5824 31.7065 176.2766 95 F 5.4012 7.7866 116.8298 55.7130 43.8629 173.6947 96 V 4.8744 8.5361 119.7715 61.0325 34.3689 174.2422 97 A 4.7856 9.0817 130.7519 52.1434 18.8826 177.8877 98 V 4.7401 8.7788 115.5252 61.0133 33.1852 175.7256 99 D 4.9721 7.9255 119.8560 52.7102 44.8886 174.0285 100 V 4.5960 8.2130 122.6185 59.8168 34.6051 173.9802 101 E 4.6108 8.9559 124.4804 54.3740 32.4169 174.5195 102 V 4.8568 8.4102 125.8272 61.3870 33.7042 174.4490 103 A 4.6112 8.4858 127.0804 51.2402 22.9912 177.8412 104 G 3.7502 8.7803 108.8729 44.7402 0.0000 172.6062 105 Q 4.5323 7.8022 117.4678 55.2306 33.3414 175.9363 106 G 3.7637 8.2981 112.8010 47.1930 0.0000 177.0798 107 R 3.2983 8.4762 123.8388 56.7990 29.9978 176.7081 108 K 4.3133 7.6411 116.6037 56.2012 32.6117 176.8969 109 Q 4.4759 7.6263 117.5067 56.2114 30.1824 175.2981 110 V 4.7576 8.9314 120.9451 61.1734 34.9763 174.0120 111 L 4.9906 9.0019 128.0219 53.4975 43.8408 175.4038 112 T 4.9629 8.6895 122.0291 61.9683 70.6196 173.8920 113 F 5.1771 9.2672 125.8423 56.3273 41.6936 175.0152 114 T 5.2195 8.8131 118.6671 62.0987 71.6789 174.2111 115 T 5.1129 8.7347 116.9968 60.4872 71.1122 175.2839 116 H 4.4927 9.2192 116.6704 57.3266 28.6361 176.4566 117 V 4.1003 7.8574 112.4590 61.1440 31.7894 176.4962 118 G 3.9367 8.1545 108.7691 45.0064 0.0000 173.9787 119 D 4.6113 7.6460 119.3684 53.9613 42.3932 175.1185 120 S 5.2691 8.5044 115.0986 56.5469 64.8812 173.0958 121 A 4.6433 9.2554 128.1003 50.1178 22.0304 175.0657 122 V 4.2944 8.6074 123.3468 62.2048 32.1246 175.7035 123 A 4.2828 9.5300 131.6051 51.5361 19.0712 177.3994 124 G 4.0789 8.0766 108.1786 45.9607 0.0000 172.5329 125 E 4.1011 9.2175 119.4562 59.3524 29.6774 179.1969 126 G 3.7864 8.2119 106.2693 47.8678 0.0000 173.1078 127 N 4.9519 7.8933 117.5660 50.3469 39.0290 171.7330 128 P 4.3172 0.0000 0.0000 62.2274 33.5910 175.8549 129 I 4.3029 6.2966 121.6958 60.3190 38.0461 175.5135 130 R 4.6384 8.6662 127.7717 55.9010 33.8434 173.9634 *132 A 4.4805 8.4608 118.4384 52.1078 20.5867 175.4311 133 Q 4.9899 8.3533 116.7866 53.7052 32.3238 175.5512 134 D 4.2030 9.4896 122.5759 54.1821 41.6776 174.6229 135 P 4.0635 0.0000 0.0000 65.9612 31.1799 177.2365 136 A 3.8299 7.5100 122.2102 56.0965 18.6425 179.0661 137 T 3.8748 7.7114 110.9568 61.2657 69.1789 178.4548 138 G 4.0070 8.2221 110.0189 46.0469 0.0000 174.1880 139 E 4.2615 7.6845 117.9780 55.2719 31.3360 179.6931 140 P 4.7401 0.0000 0.0000 63.0904 31.9659 175.6861 141 A 4.2836 8.8875 127.1897 49.3810 20.4886 173.2865 142 P 4.8717 0.0000 0.0000 62.7848 34.0162 174.4939 143 Y 5.2988 8.6729 118.4607 56.2016 42.1365 174.8705 144 V 4.6629 8.5478 119.8620 59.9712 34.8037 174.4342 145 H 4.4942 8.7063 124.3510 56.6561 29.9163 174.2257 146 V 4.1064 8.3444 125.1951 63.4070 32.8400 175.7941 147 R 4.3690 7.7541 112.9206 56.2785 31.4371 173.9696 148 A 3.8541 9.9306 121.0270 53.3070 16.1787 178.2539 149 G 4.0138 8.7558 106.5721 46.7355 0.0000 174.2070 150 L 4.5209 8.8406 122.4713 54.1019 42.2594 175.6849 151 E 5.2383 8.7869 122.4491 54.6247 33.0799 174.4256 152 A 5.1179 9.0137 123.9623 50.0915 21.6463 175.9261 153 L 4.0162 9.0057 126.1077 54.7761 43.4014 175.9394 154 I 4.4215 8.0206 128.3738 60.8693 37.6433 175.9256 155 D 4.5874 8.7964 127.3938 52.8669 40.8820 177.8831 156 R 3.9203 8.8259 117.6469 59.3887 30.1065 178.9165 157 K 4.0028 8.2167 118.6216 60.0505 32.1880 178.7543 158 S 4.2267 8.8980 115.5868 61.3983 62.4877 176.4439 159 F 4.1716 8.5568 123.0346 61.7006 39.2224 176.6179 160 Y 4.2060 8.1591 115.3284 60.9706 37.6937 178.2089 161 R 4.1491 7.8215 118.0611 58.6967 30.8239 179.2350 162 L 4.2530 7.9046 120.8823 54.4020 40.7270 178.1846 *164 D 4.6742 7.9426 117.1189 53.9876 42.8676 176.4429 165 L 4.7215 8.3931 118.4085 54.2372 42.4698 176.5654 166 G 3.8246 7.9712 106.7150 45.9223 0.0000 172.5700 167 E 4.9808 8.6430 119.5903 55.0465 33.7970 173.4083 168 I 5.2049 8.4241 124.0784 59.6847 39.6026 175.2653 169 E 4.3963 8.7999 125.8508 55.8927 33.0580 175.5656 170 D 4.4628 10.0823 124.9757 55.5079 38.5856 174.5269 171 G 3.9371 8.4804 106.3068 44.7281 0.0000 172.7892 172 W 5.0004 8.1565 119.4532 54.5983 32.2833 174.0490 173 F 5.0952 9.0030 124.8693 58.0789 40.5001 174.8932 174 G 4.0478 7.9091 111.4350 45.9711 0.0000 171.0821 175 L 5.1096 7.5348 119.9400 52.6262 45.2039 176.0571 176 W 5.0719 9.0586 123.9519 56.1376 30.2148 175.9642 177 S 4.9549 9.3094 118.6740 58.1030 65.0812 173.7678 178 S 3.9043 9.8124 122.2658 59.7605 60.7570 173.6883 179 G 4.1483 8.8903 106.0690 45.6852 0.0000 174.1436 180 S 4.7499 8.4721 115.4962 56.2834 65.9760 172.3966 181 F 4.1506 7.6659 124.5726 55.9977 41.1455 174.5150 182 F 4.3272 7.6387 125.3667 54.7361 40.6941 173.3245 183 P 4.4158 0.0000 0.0000 62.5603 31.2903 176.5578 184 L 4.7862 8.8937 121.7454 55.2298 44.4583 176.9657 *186 T 3.5731 7.7438 107.8409 60.7135 70.0060 174.7778 187 V 3.5669 8.3461 122.3942 66.4560 31.2028 177.8682 188 E 3.8283 8.0088 117.0503 59.5030 29.7200 178.5214 189 E 4.0657 8.0435 118.1321 59.4081 29.3879 178.8343 190 L 3.8006 7.7922 118.9729 58.5371 42.1132 178.7959 191 E 4.0761 8.3090 117.1918 58.9610 29.3843 177.7852 192 R 4.2416 7.7177 122.2211 56.3849 30.3571 176.1091 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 10 S 8.33 4.45 0.00 3.86 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 11 A 7.70 4.63 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 12 D 8.38 4.89 0.00 2.62 2.58 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 0.00 0.00 0.00 0.00 13 G 8.29 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 14 L 8.27 3.71 0.00 0.54 1.32 0.53 0.19 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 15 L 7.75 4.00 0.00 1.76 1.69 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.94 4.00 1.33 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 0.00 0.00 17 S 8.25 4.13 0.00 4.30 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 18 A 7.97 3.63 1.14 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 0.00 0.00 19 R 7.70 3.96 0.00 1.97 1.97 0.00 3.14 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 20 A 7.63 4.08 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 21 I 6.70 4.12 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.90 0.00 0.00 22 K 8.25 4.71 0.00 1.67 1.64 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.31 7.81 23 S 8.30 4.64 0.00 4.13 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 24 K 8.89 4.30 0.00 1.77 1.88 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.42 7.81 25 G 7.33 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 26 P 0.00 4.28 0.00 2.21 2.13 0.00 3.77 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 1.99 1.96 0.00 27 A 8.60 4.36 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 28 P 0.00 4.40 0.00 1.88 2.05 0.00 3.55 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.90 0.00 29 V 7.03 2.96 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 1.19 0.00 0.00 0.91 0.00 0.00 30 H 7.74 4.54 0.00 3.05 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.46 4.14 0.00 1.06 1.67 0.86 0.99 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 32 W 7.38 5.11 0.00 3.57 2.95 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 33 N 8.50 5.07 0.00 2.67 2.72 0.00 0.00 7.08 8.02 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 34 P 0.00 4.73 0.00 2.17 2.23 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.35 0.00 35 P 0.00 4.57 0.00 2.14 2.12 0.00 3.93 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 36 F 8.85 4.53 0.00 2.91 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 37 N 8.69 4.46 0.00 2.58 2.69 0.00 0.00 7.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 5.60 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.44 5.17 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 4.63 1.97 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 1.25 0.62 0.94 0.00 0.00 41 D 8.30 4.37 0.00 2.62 2.30 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 *43 R 8.45 4.31 0.00 1.87 1.82 0.00 3.37 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 44 I 7.98 4.36 1.41 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.75 0.00 0.00 45 A 9.30 4.61 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 0.00 0.00 0.00 0.00 0.00 46 R 8.61 3.84 0.00 1.76 2.00 0.00 3.21 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 47 D 8.09 4.59 0.00 2.84 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 48 G 8.39 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 49 T 8.30 4.31 4.42 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 0.70 0.00 0.00 50 W 8.95 5.16 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 9.44 5.35 0.00 2.77 2.94 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 52 Y 9.18 4.87 0.00 3.03 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 53 Q 8.96 3.56 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.31 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 54 G 8.66 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 55 T 7.89 4.73 4.36 0.00 0.00 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1.54 0.00 *132 A 8.46 4.48 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.35 4.99 0.00 1.92 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 134 D 9.49 4.20 0.00 2.78 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 0.00 135 P 0.00 4.06 0.00 2.09 2.10 0.00 4.01 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 2.04 2.01 0.00 136 A 7.51 3.83 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 0.00 137 T 7.71 3.87 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 0.00 138 G 8.22 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 0.00 139 E 7.68 4.26 0.00 1.68 1.84 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 2.31 1.91 0.00 140 P 0.00 4.74 0.00 1.82 2.13 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 141 A 8.89 4.28 0.97 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 0.00 142 P 0.00 4.87 0.00 2.14 2.23 0.00 3.27 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 143 Y 8.67 5.30 0.00 2.88 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.55 4.66 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 0.05 0.00 0.00 0.65 0.00 0.00 145 H 8.71 4.49 0.00 3.16 3.07 0.00 5.72 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 0.00 146 V 8.34 4.11 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 0.68 0.00 0.00 0.88 0.00 0.00 147 R 7.75 4.37 0.00 1.99 1.95 0.00 3.21 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 148 A 9.93 3.85 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 0.00 149 G 8.76 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 0.00 150 L 8.84 4.52 0.00 1.96 1.88 1.25 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.79 5.24 0.00 1.93 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 0.00 2.34 2.32 0.00 152 A 9.01 5.12 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 0.00 153 L 9.01 4.02 0.00 1.74 1.51 0.14 0.74 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 0.00 154 I 8.02 4.42 1.94 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 1.14 0.46 1.11 0.00 0.00 155 D 8.80 4.59 0.00 2.77 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 0.00 156 R 8.83 3.92 0.00 1.97 2.27 0.00 3.25 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 157 K 8.22 4.00 0.00 1.90 1.89 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.62 7.81 158 S 8.90 4.23 0.00 4.05 4.03 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 0.00 159 F 8.56 4.17 0.00 2.88 3.02 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 0.00 160 Y 8.16 4.21 0.00 3.19 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 0.00 161 R 7.82 4.15 0.00 1.96 2.00 0.00 3.19 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 162 L 7.90 4.25 0.00 1.76 1.65 1.19 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *164 D 7.94 4.67 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 0.00 165 L 8.39 4.72 0.00 1.57 1.81 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 166 G 7.97 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.64 4.98 0.00 2.29 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 2.52 2.61 0.00 168 I 8.42 5.20 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 0.99 0.00 0.00 169 E 8.80 4.40 0.00 1.16 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 1.47 1.47 0.00 170 D 10.08 4.46 0.00 2.84 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 0.00 171 G 8.48 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 0.00 0.00 0.00 172 W 8.16 5.00 0.00 3.75 3.27 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 0.00 173 F 9.00 5.10 0.00 3.31 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 0.00 174 G 7.91 4.05 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 0.00 0.00 0.00 175 L 7.53 5.11 0.00 1.55 1.59 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 176 W 9.06 5.07 0.00 3.28 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 0.00 177 S 9.31 4.95 0.00 3.97 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 0.00 178 S 9.81 3.90 0.00 4.21 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 0.00 179 G 8.89 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.47 4.75 0.00 3.87 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 F 7.67 4.15 0.00 1.51 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 0.00 0.00 0.00 182 F 7.64 4.33 0.00 2.68 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 P 0.00 4.42 0.00 1.39 1.65 0.00 3.33 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.92 0.00 184 L 8.89 4.79 0.00 1.96 1.94 1.13 0.83 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 *186 T 7.74 3.57 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 0.55 0.00 0.00 187 V 8.35 3.57 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 1.07 0.00 0.00 0.98 0.00 0.00 188 E 8.01 3.83 0.00 1.91 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 2.25 2.47 0.00 189 E 8.04 4.07 0.00 2.34 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 2.35 2.31 0.00 190 L 7.79 3.80 0.00 1.42 1.84 0.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.31 4.08 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 192 R 7.72 4.24 0.00 1.98 1.84 0.00 3.19 0.00 0.00 3.53 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.