NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.6895 8.0385 122.7623 55.1276 43.7161 175.2347 10 A 4.9571 9.0361 127.5538 49.4306 23.2519 172.7951 11 C 5.1775 9.7460 121.5124 57.6880 35.3165 171.1443 12 Y 4.6759 9.2344 125.7258 57.9435 38.8887 174.8997 13 S 4.9525 9.1589 118.6735 56.6036 66.6897 172.3734 14 D 5.4285 9.0679 126.2029 51.9908 41.1229 175.0749 15 P 4.2948 0.0000 0.0000 64.8684 31.5256 176.9432 16 A 4.3104 8.2074 120.7530 52.8336 19.4839 176.9145 17 D 4.7895 7.9887 117.0408 53.2154 42.6234 176.7723 18 H 4.2805 8.8616 123.3658 58.9713 28.3315 177.2590 19 Y 4.1424 7.7873 119.1721 60.9555 37.7843 178.1329 20 S 4.1350 8.3499 115.8707 61.7089 62.8438 175.9613 21 H 4.1870 8.4766 121.1912 59.3380 29.5064 177.2414 22 R 4.1167 8.0834 119.8415 59.6405 29.9137 179.2343 23 V 3.6997 7.5052 117.3709 65.9733 31.5469 178.1954 24 R 3.9196 8.1767 117.9295 59.1888 29.7870 179.1350 25 I 3.6770 8.0784 119.8334 64.3160 37.1706 178.4646 26 V 3.5985 7.7437 119.0270 66.0872 31.3535 177.8855 27 L 3.8781 8.2504 118.6791 57.8990 41.5406 179.4863 28 A 3.9735 8.0505 120.5017 55.1958 18.0605 179.5473 29 E 3.9646 8.3930 116.6858 59.3072 29.6330 179.1230 30 K 4.2216 8.0164 116.5392 56.2788 32.3648 177.3283 31 G 3.7357 7.5191 106.6500 46.4175 0.0000 173.4534 32 V 3.8485 7.4543 119.6695 60.6858 32.2992 175.5768 33 S 4.2982 8.4101 122.5293 57.1581 61.2531 172.7977 34 A 4.5524 7.9517 128.7854 50.5554 20.4780 176.3753 35 E 3.9500 9.0239 121.7493 56.2193 30.5107 176.2953 36 I 4.5490 8.2464 129.5670 60.2739 37.8643 175.7887 37 I 4.1545 8.3847 130.2775 59.7679 38.1461 175.6071 38 S 4.8207 8.5757 124.2862 58.1294 63.8751 174.0801 39 V 4.4365 8.9407 124.8207 60.8394 33.8447 175.0840 40 E 4.2667 8.9712 127.2588 55.6814 30.1387 176.6203 41 A 3.9044 8.4230 124.2193 54.4157 18.6813 178.2009 42 G 3.8046 8.7363 109.7446 45.1919 0.0000 171.3877 *45 P 4.2105 0.0000 0.0000 61.4397 32.5768 175.5353 46 P 4.1990 0.0000 0.0000 66.0372 30.8189 179.1848 47 K 3.9600 7.9680 116.5757 59.0405 31.9911 179.1199 48 L 3.2454 7.5628 120.5725 57.9420 41.7790 179.0726 49 I 3.7425 7.4104 117.9900 64.0126 37.0882 177.4699 50 E 3.9925 8.0975 119.9380 59.0892 29.5615 178.6566 51 V 4.3284 7.2112 109.7716 61.4057 32.8208 175.8746 52 N 4.1926 7.9676 116.9843 50.5264 39.3521 172.6401 53 P 4.1882 0.0000 0.0000 64.6611 31.5048 177.5339 54 Y 3.9298 7.6565 116.2684 58.3469 38.0074 175.8694 55 G 3.7961 7.6607 107.8390 46.2258 0.0000 173.8784 56 S 4.5995 7.6119 112.6251 56.8360 64.6684 172.9603 57 L 5.0456 8.0437 120.5383 52.3515 44.5825 174.7832 58 P 4.9541 0.0000 0.0000 62.9019 33.0563 175.4306 59 T 5.0155 8.8600 117.2796 61.9191 72.0218 172.6587 60 L 5.0972 9.1946 129.1120 53.7359 44.4071 175.1475 61 V 4.9080 9.0761 125.9300 61.2250 34.5022 173.5564 62 D 4.9685 9.2423 128.2573 53.1989 42.5744 176.7231 63 R 3.7858 8.9087 127.5291 57.8271 29.4194 177.3853 64 D 4.8252 8.0282 112.3763 53.7153 41.5588 175.2918 65 L 4.3518 8.1203 123.3385 53.6853 42.8431 174.8165 66 A 5.4274 8.5607 127.5904 50.2479 21.1744 175.3634 67 L 4.6926 9.2919 122.3242 52.7281 46.0150 175.7950 68 W 5.4185 7.4921 117.6292 55.9772 32.1731 169.6384 69 E 3.8291 9.2870 127.1475 55.5166 28.3826 174.4895 70 S 4.2707 8.9402 121.8268 61.7617 63.0999 175.9716 71 T 4.0302 8.0360 109.8666 64.4395 68.9867 175.5276 72 V 3.6792 7.9101 121.6338 65.7565 31.8137 178.7545 73 V 3.9863 7.8515 117.2631 63.4654 30.8768 177.3025 *75 E 4.2918 8.2638 119.9442 56.0765 31.5626 177.6272 76 Y 4.1258 8.3132 119.2435 60.7713 38.8036 178.1961 77 L 3.9720 8.2357 119.9760 57.8613 41.5095 179.0410 78 D 4.3397 8.0129 116.5569 57.2121 41.2696 177.5515 79 E 4.0738 7.9705 118.4349 58.8483 29.6651 178.6026 80 R 3.8722 7.7753 118.4473 57.3303 29.4973 175.6777 81 Y 4.5290 7.5640 117.1396 55.0145 38.1576 174.1700 82 P 4.5796 0.0000 0.0000 64.5655 31.9612 176.7720 83 H 4.9388 7.2819 114.2508 53.1136 30.3141 172.7867 84 P 4.5659 0.0000 0.0000 61.1802 32.2637 174.2949 85 P 4.3724 0.0000 0.0000 63.2811 31.8240 176.0060 86 L 4.5793 9.1002 120.9819 54.3058 41.9810 175.7645 87 L 5.0040 7.3174 117.3721 52.0103 45.5504 174.0815 88 P 4.4362 0.0000 0.0000 62.7743 32.0780 176.5900 89 V 3.8224 7.9485 117.6043 65.0171 32.2711 176.3502 90 Y 4.8090 7.2365 116.3454 56.4359 40.3087 174.6073 91 P 4.2818 0.0000 0.0000 65.7834 31.4473 179.3768 92 V 3.5549 7.7867 116.2877 66.0062 31.6261 177.8203 93 A 4.0032 8.0150 120.0601 55.1621 18.2268 179.6292 94 R 3.8605 8.2532 116.4747 59.3689 30.1049 179.1600 95 A 3.9856 8.2156 120.6293 55.1917 18.3445 179.4188 96 N 4.2919 8.5261 115.4234 56.5281 38.5813 177.8666 97 S 4.0685 8.1675 116.5595 61.7003 62.9372 177.0046 98 R 3.9880 8.2017 120.8677 58.9491 29.6727 178.8878 99 L 3.9612 8.3660 120.8715 57.9943 41.9986 178.7631 100 L 3.8153 8.0410 120.3854 58.0436 41.8711 179.0452 101 I 3.7405 7.8438 119.9226 64.6184 36.9784 177.8501 102 H 4.1587 8.1938 119.1061 59.3448 29.5885 177.6118 103 R 3.7224 8.1949 120.0914 58.9781 29.7767 178.9821 104 I 3.2226 7.8434 119.9929 64.1952 36.9992 178.1055 105 Q 4.0596 8.2194 120.4179 59.2821 28.6860 178.5070 106 R 3.8479 7.8387 118.2048 59.4243 30.2814 177.4952 107 D 4.6737 8.0154 116.4969 54.8564 41.6815 177.6398 108 W 4.9529 7.6939 117.2523 58.7602 30.8989 177.8547 109 C 4.3822 8.6896 116.9575 62.6129 27.5039 176.4083 110 G 3.7277 8.0610 107.7094 47.9041 0.0000 175.7914 111 Q 4.0416 8.1396 120.0268 58.6643 28.8747 178.6105 112 V 3.5871 7.9435 119.2425 66.4168 31.6292 177.8497 113 D 4.4969 8.4421 118.4779 57.2490 40.4082 178.8439 114 L 4.0330 7.8455 118.7036 57.8878 41.7588 179.1638 115 I 3.8646 7.7831 118.6050 64.4631 37.1891 178.0974 116 L 4.4168 7.9067 117.5220 55.2627 41.9493 176.6148 117 D 4.4776 7.7862 119.8281 53.0863 41.0086 174.9696 118 P 4.3706 0.0000 0.0000 65.1533 31.2348 177.1840 119 R 4.3033 8.2151 116.8094 56.9901 30.6192 176.9859 120 T 4.0199 7.7181 115.9183 63.0181 69.1380 175.0665 121 K 4.1323 8.5213 125.2729 56.2751 34.0597 177.8889 122 E 3.9254 8.8002 122.8758 59.4067 29.6604 179.0936 123 A 3.9949 8.0395 120.1066 55.2046 18.4022 179.3356 124 A 3.9707 7.9433 118.7791 55.0814 18.5306 179.6955 125 R 3.8045 8.0733 117.3277 59.5530 30.2141 178.8542 126 V 3.5792 8.1382 118.4624 66.1687 31.4451 177.7881 127 Q 3.9631 8.2844 119.0155 59.0084 28.8509 177.8707 128 A 4.0084 8.2910 122.0883 55.2502 18.3197 179.8144 129 R 3.8359 8.1012 116.4534 59.2356 30.1274 179.1796 130 K 3.9029 8.0397 119.3336 59.6604 32.1965 178.7270 131 E 3.9888 8.4341 119.0469 59.2436 29.3024 179.1672 132 L 3.9445 8.1399 120.5345 57.9338 42.1387 178.8255 133 R 3.7531 8.1947 119.0082 59.6017 29.9642 178.3342 134 E 3.9388 8.2873 118.3245 59.4501 29.4965 179.4099 135 S 4.2023 8.2931 113.2317 61.3925 62.3617 176.2069 136 L 3.6270 7.9155 121.8707 57.9327 41.0364 179.6088 137 T 3.9101 7.8710 115.0721 66.5082 68.4100 176.6367 138 G 3.8015 8.1082 107.3307 47.5175 0.0000 175.5777 139 V 4.0814 7.9885 120.1178 63.0373 31.9816 177.9592 140 S 4.1284 7.7523 114.9296 61.5255 62.1817 174.3255 141 P 4.3733 0.0000 0.0000 65.4973 30.8130 178.1768 142 L 4.2000 8.1099 116.5694 56.6836 41.5942 178.2430 143 F 4.3230 8.3271 116.4642 57.6893 39.1574 176.4740 144 A 4.1877 7.9259 122.6029 54.6535 18.3172 178.3659 145 D 4.8658 8.0205 112.2150 53.9765 42.5436 176.4331 146 K 4.7498 7.6942 117.7930 53.6684 35.2094 174.5488 147 P 4.2744 0.0000 0.0000 64.4380 31.7264 175.7092 148 F 5.0600 7.7281 116.2557 54.8078 41.9938 174.4356 149 F 4.1834 9.6599 124.1294 58.9957 38.3877 174.5174 150 L 3.6172 8.4191 129.5654 54.8633 39.4034 174.6025 151 S 4.6400 7.6108 108.9770 57.5379 65.1591 174.0872 152 E 4.6297 8.7866 124.2447 56.9672 29.7995 176.2406 153 E 4.3854 8.0567 117.8309 53.7281 33.5621 175.1514 154 Q 3.4701 7.0591 122.5088 56.4644 29.7027 176.3321 155 S 4.8420 9.1113 118.9361 55.7704 67.8290 174.9301 156 L 4.1027 8.8685 121.4855 57.6386 41.0748 180.1356 157 V 3.7027 7.9159 118.6130 66.2919 31.4400 177.8450 158 D 4.7818 8.3193 118.0514 57.6469 40.5368 178.3710 159 C 4.3608 7.9539 116.1332 62.6372 28.1295 175.3373 160 C 4.4588 7.8323 117.4496 62.0840 28.2392 175.4916 161 L 4.3714 8.1798 122.1498 58.1745 41.7476 178.7768 162 L 4.2544 8.5573 119.3957 57.6654 41.3795 177.8274 163 P 4.5003 0.0000 0.0000 65.5195 31.5088 178.5361 164 I 3.8996 7.8126 118.3087 64.4805 37.2995 178.3224 165 L 4.0557 8.1772 119.8672 57.4330 41.1875 179.2185 166 W 3.9699 8.6938 128.1346 60.3323 30.9051 177.3215 167 R 4.2510 7.8349 115.2795 56.2955 29.5515 178.0442 168 L 3.9174 7.5973 121.1691 57.4868 41.6467 177.5653 169 P 4.1438 0.0000 0.0000 65.7483 31.1360 179.1708 170 V 3.6681 7.5763 108.8225 63.9192 31.6428 177.0562 171 L 4.1561 7.8113 117.9372 54.8134 41.7263 177.2707 172 G 3.8268 8.0377 106.8003 46.2256 0.0000 173.2470 173 I 4.3664 7.8460 120.1038 58.8153 39.3020 174.7731 174 E 4.5409 8.5356 125.7423 53.9881 31.4375 175.3889 175 L 4.1741 8.2420 126.4054 53.5946 42.6997 175.0585 176 P 4.5451 0.0000 0.0000 62.0581 32.6550 177.5018 177 R 3.8835 8.4982 117.8695 59.3005 30.0257 179.1082 178 Q 4.0658 8.0020 113.9475 58.1184 28.9808 176.1888 179 A 4.8049 7.9318 121.8744 51.5306 19.0514 178.7672 180 K 3.7545 7.9246 122.6145 60.9425 32.0076 176.8561 181 P 4.3290 0.0000 0.0000 65.4726 31.0171 178.3524 182 L 3.2911 7.5578 117.8452 57.7731 42.1258 178.3850 183 L 3.9638 7.6105 117.9627 57.8450 41.8147 178.9724 184 D 4.4590 8.6094 119.2025 57.1996 40.6089 178.7220 185 Y 3.9814 7.7474 117.4282 58.1206 38.5566 177.4310 *187 E 4.1065 8.0625 119.4584 55.7726 31.1596 177.6832 188 R 3.9756 7.7679 117.5345 59.3968 30.0792 179.1930 189 Q 3.8429 7.7331 118.1088 58.8107 28.4023 178.6958 190 F 4.0958 7.4820 116.9568 59.9059 39.1107 176.7758 191 A 4.3179 7.5510 117.8991 52.7951 19.0744 178.0194 192 R 4.1321 7.4985 117.3128 55.8391 31.0899 177.3505 193 E 3.9682 9.2070 121.8519 59.9038 29.2621 179.8262 194 A 3.9745 7.9281 118.6427 54.9605 18.7959 179.0187 195 F 4.1247 8.1999 118.7713 61.5330 39.4962 177.1020 196 Q 3.8015 8.4063 117.5513 59.0529 28.2982 178.9639 197 A 3.9353 8.0137 120.9548 54.7002 18.4251 179.4289 198 S 4.1049 7.4198 112.0936 59.7378 63.4741 175.0257 199 L 3.6799 6.4782 123.6470 54.1472 41.7698 177.7751 200 S 4.4475 9.0217 119.6860 57.5466 65.3179 175.7379 201 G 3.5420 8.4052 108.2958 47.8887 0.0000 175.9732 202 V 3.6346 7.6525 119.1774 65.8634 31.6887 177.5312 203 E 4.2861 8.1894 117.3191 59.5263 29.3503 179.1363 204 R 4.3087 8.0605 117.4284 58.9759 31.3587 177.8860 205 D 4.6150 7.6668 118.3106 53.9039 39.2107 176.5930 *207 R 3.8986 7.6341 121.5416 56.4380 30.3816 176.2630 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 9 L 8.04 4.69 0.00 1.87 1.66 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 A 9.04 4.96 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 11 C 9.75 5.18 0.00 2.95 2.74 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 0.00 0.00 0.00 0.00 12 Y 9.23 4.68 0.00 2.97 2.91 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 13 S 9.16 4.95 0.00 3.87 3.64 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 14 D 9.07 5.43 0.00 2.77 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 15 P 0.00 4.29 0.00 2.21 2.15 0.00 3.93 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 16 A 8.21 4.31 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 D 7.99 4.79 0.00 3.09 2.82 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 18 H 8.86 4.28 0.00 3.43 3.54 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.79 4.14 0.00 3.32 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 20 S 8.35 4.13 0.00 4.21 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 21 H 8.48 4.19 0.00 3.45 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.08 4.12 0.00 2.16 2.08 0.00 3.40 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 23 V 7.51 3.70 2.27 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 1.19 0.00 0.00 1.03 0.00 0.00 24 R 8.18 3.92 0.00 2.03 2.03 0.00 3.11 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 25 I 8.08 3.68 2.08 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 1.02 0.00 0.00 26 V 7.74 3.60 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 1.06 0.00 0.00 1.04 0.00 0.00 27 L 8.25 3.88 0.00 1.82 1.80 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.05 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.39 3.96 0.00 2.07 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 2.59 2.52 0.00 30 K 8.02 4.22 0.00 1.69 1.70 0.00 2.00 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.65 1.58 7.81 31 G 7.52 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.45 3.85 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 0.50 0.00 0.00 -0.03 0.00 0.00 33 S 8.41 4.30 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.95 4.55 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.02 3.95 0.00 2.00 1.80 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 2.19 2.23 0.00 36 I 8.25 4.55 1.82 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 1.30 0.85 0.87 0.00 0.00 37 I 8.38 4.15 1.34 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.49 0.89 0.00 0.00 38 S 8.58 4.82 0.00 3.75 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 39 V 8.94 4.44 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 1.01 0.00 0.00 1.17 0.00 0.00 40 E 8.97 4.27 0.00 2.01 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 2.33 2.26 0.00 41 A 8.42 3.90 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 42 G 8.74 3.80 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 0.00 0.00 0.00 *45 P 0.00 4.21 0.00 2.30 2.27 0.00 3.68 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 1.98 2.11 0.00 46 P 0.00 4.20 0.00 2.16 2.13 0.00 3.60 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 2.11 2.17 0.00 47 K 7.97 3.96 0.00 1.87 1.97 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.51 7.81 48 L 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0.00 0.00 0.00 0.00 0.00 124 A 7.94 3.97 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 0.00 125 R 8.07 3.80 0.00 1.91 2.12 0.00 3.29 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 126 V 8.14 3.58 2.20 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 0.94 0.00 0.00 0.93 0.00 0.00 127 Q 8.28 3.96 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 128 A 8.29 4.01 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 0.00 129 R 8.10 3.84 0.00 2.08 1.97 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 130 K 8.04 3.90 0.00 1.84 1.98 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 131 E 8.43 3.99 0.00 2.16 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 2.36 2.48 0.00 132 L 8.14 3.94 0.00 1.82 1.68 0.72 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.19 3.75 0.00 1.92 2.01 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 134 E 8.29 3.94 0.00 2.24 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 2.48 0.00 135 S 8.29 4.20 0.00 4.16 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 0.00 136 L 7.92 3.63 0.00 1.43 1.30 0.54 -0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.87 3.91 4.35 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 1.18 0.00 0.00 138 G 8.11 3.80 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 0.00 0.00 0.00 139 V 7.99 4.08 2.50 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 1.06 0.00 0.00 1.37 0.00 0.00 140 S 7.75 4.13 0.00 3.79 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 0.00 141 P 0.00 4.37 0.00 2.24 2.13 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 142 L 8.11 4.20 0.00 1.66 1.70 1.05 0.74 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 0.00 143 F 8.33 4.32 0.00 3.04 3.13 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 0.00 144 A 7.93 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 0.00 145 D 8.02 4.87 0.00 2.64 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 0.00 146 K 7.69 4.75 0.00 1.69 1.95 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.39 7.81 147 P 0.00 4.27 0.00 1.68 2.07 0.00 3.89 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 2.21 2.07 0.00 148 F 7.73 5.06 0.00 3.36 3.58 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 0.00 149 F 9.66 4.18 0.00 2.81 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 0.00 150 L 8.42 3.62 0.00 1.39 1.50 0.48 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 151 S 7.61 4.64 0.00 3.90 3.80 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 0.00 152 E 8.79 4.63 0.00 2.06 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 2.36 2.39 0.00 153 E 8.06 4.39 0.00 1.80 1.57 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 0.00 2.17 2.21 0.00 154 Q 7.06 3.47 0.00 1.28 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 155 S 9.11 4.84 0.00 4.16 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 0.00 156 L 8.87 4.10 0.00 1.71 1.83 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.92 3.70 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.95 0.00 0.00 158 D 8.32 4.78 0.00 3.11 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 0.00 159 C 7.95 4.36 0.00 3.25 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 0.00 160 C 7.83 4.46 0.00 3.25 3.15 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 0.00 161 L 8.18 4.37 0.00 2.14 1.98 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.56 4.25 0.00 1.99 1.92 1.00 0.81 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 0.00 163 P 0.00 4.50 0.00 2.12 2.23 0.00 3.85 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 2.16 2.05 0.00 164 I 7.81 3.90 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.26 0.87 0.00 0.00 165 L 8.18 4.06 0.00 1.96 1.82 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 166 W 8.69 3.97 0.00 3.51 3.42 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 0.00 167 R 7.83 4.25 0.00 2.07 1.94 0.00 3.44 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 168 L 7.60 3.92 0.00 1.64 1.86 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.14 0.00 1.98 1.97 0.00 3.44 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.03 0.00 170 V 7.58 3.67 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 0.66 0.00 0.00 0.97 0.00 0.00 171 L 7.81 4.16 0.00 1.75 1.68 0.88 0.77 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 0.00 172 G 8.04 3.83 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 0.00 173 I 7.85 4.37 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.82 0.82 0.00 0.00 174 E 8.54 4.54 0.00 1.81 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 2.13 2.28 0.00 175 L 8.24 4.17 0.00 1.57 1.47 0.73 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 176 P 0.00 4.55 0.00 2.18 2.15 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 177 R 8.50 3.88 0.00 1.87 2.00 0.00 3.11 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 178 Q 8.00 4.07 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.56 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 179 A 7.93 4.80 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 0.00 180 K 7.92 3.75 0.00 1.99 1.82 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.47 7.81 181 P 0.00 4.33 0.00 2.48 2.22 0.00 3.56 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 2.14 2.16 0.00 182 L 7.56 3.29 0.00 1.01 1.52 -0.42 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.61 3.96 0.00 1.72 1.62 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 184 D 8.61 4.46 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 7.75 3.98 0.00 3.09 2.81 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 *187 E 8.06 4.11 0.00 1.89 2.03 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 2.14 2.32 0.00 188 R 7.77 3.98 0.00 1.75 1.78 0.00 3.06 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 189 Q 7.73 3.84 0.00 1.25 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 190 F 7.48 4.10 0.00 3.03 3.20 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 0.00 0.00 0.00 0.00 191 A 7.55 4.32 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 0.00 192 R 7.50 4.13 0.00 2.16 1.96 0.00 3.29 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 193 E 9.21 3.97 0.00 2.03 2.03 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 2.42 2.42 0.00 194 A 7.93 3.97 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 0.00 195 F 8.20 4.12 0.00 3.23 3.34 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 0.00 196 Q 8.41 3.80 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 197 A 8.01 3.94 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 0.00 198 S 7.42 4.10 0.00 3.90 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 0.00 199 L 6.48 3.68 0.00 1.36 1.27 0.31 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 200 S 9.02 4.45 0.00 3.94 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 0.00 201 G 8.41 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 0.00 202 V 7.65 3.63 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 0.93 0.00 0.00 0.94 0.00 0.00 203 E 8.19 4.29 0.00 2.00 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 2.36 2.44 0.00 204 R 8.06 4.31 0.00 1.96 2.06 0.00 3.14 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 205 D 7.67 4.62 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *207 R 7.63 3.90 0.00 1.38 1.57 0.00 2.21 0.00 0.00 2.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.72 0.00 * Residues marked with a * may have inaccurate shift predictions.