NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3739 8.3349 115.2881 58.2994 63.3728 173.4232 1 L 4.2545 8.3539 125.9115 54.1140 42.5335 175.6080 2 R 3.9523 7.5315 119.7255 56.1945 31.6345 177.9181 3 V 3.6490 8.3833 121.8790 64.5371 31.6439 178.0049 4 E 2.5400 7.5125 117.5724 57.6276 29.5663 178.3450 5 E 4.0310 7.6571 118.7099 58.5256 30.0739 178.0416 6 T 4.1661 7.6802 110.2534 61.4117 70.8300 175.2492 7 E 4.0492 8.7605 122.5718 59.6252 29.3956 179.7978 8 V 3.7037 7.8432 116.8109 65.9263 32.1083 177.2239 9 F 4.3912 8.2799 119.8576 61.6304 39.2695 177.2442 10 K 4.4399 8.5840 118.2625 59.4520 31.6334 179.3710 11 K 3.9767 8.1873 118.2650 59.9629 32.3773 177.9111 12 Y 4.0333 7.6739 114.8430 58.2878 37.9029 175.6409 13 F 4.8644 8.0319 118.6636 57.0856 40.0946 177.2871 14 K 4.1355 8.1451 122.4327 58.8612 32.0280 177.5591 15 N 4.7058 8.0460 114.1920 52.7352 37.6359 174.5266 16 L 4.9859 7.3935 118.9555 52.8166 44.7668 177.1413 17 T 4.1884 8.5864 113.0870 61.5585 70.8117 175.5293 18 D 4.4477 8.5975 121.4770 57.5920 40.8584 179.4111 19 R 4.0494 7.8782 118.1594 59.2351 30.0981 178.6639 20 E 4.0670 8.2753 118.3516 59.5296 29.4134 179.5314 21 R 4.0751 8.5076 118.2074 59.3660 30.1770 178.9640 22 A 4.0547 8.3081 120.4148 55.4556 18.3629 180.1546 23 V 3.6936 8.0446 110.7694 64.0209 31.6464 178.5786 24 F 4.3103 8.5592 120.7552 61.6165 39.4263 177.0702 25 E 3.8489 8.7274 118.5949 59.1944 29.2098 179.6850 26 G 3.6666 8.3527 106.0105 47.5518 0.0000 175.9381 27 G 3.6194 8.3355 108.6124 47.6017 0.0000 175.4720 28 I 3.5826 7.4341 122.8402 64.4869 37.1263 178.6927 29 T 3.9041 7.6830 115.7687 66.5851 68.2846 176.9577 30 L 4.1641 8.1291 121.1145 57.6934 41.6307 179.8377 31 G 3.5969 8.4321 105.7518 47.6049 0.0000 175.5450 32 A 4.0024 8.4648 123.7967 54.7812 18.5627 179.2814 33 L 4.0991 8.3857 119.1887 58.4651 42.1037 178.6734 34 F 4.0284 8.3295 120.3212 62.0934 39.1305 176.9259 35 H 4.2975 8.4118 114.2795 58.4631 28.5840 177.4059 36 Q 3.8537 8.2338 121.3132 58.4899 29.1515 177.2365 37 F 4.6572 7.8407 116.9917 57.2848 40.3892 176.6117 38 V 3.8219 7.1749 111.7749 63.1630 31.7359 176.2820 39 G 4.0318 8.7984 112.6238 45.4324 0.0000 174.1712 40 T 4.0843 7.9019 117.6232 62.7940 69.4549 172.3893 41 P 5.0761 0.0000 0.0000 62.9387 32.2278 176.2413 42 V 4.8676 9.3612 124.1163 60.2906 35.0868 174.5213 43 S 4.9694 9.7122 118.6525 56.4841 66.6722 174.9441 44 K 3.9340 8.6927 119.1998 59.7855 32.0269 178.2370 45 Y 4.3043 7.8176 118.2465 60.4257 38.7111 177.2564 46 N 4.4929 7.9879 114.4902 52.1609 37.7202 175.7553 47 K 3.7451 7.7436 123.1322 60.2715 32.2261 178.3964 48 E 3.8883 7.9888 118.1060 59.3670 29.4099 179.3872 49 S 4.0313 7.8176 113.8265 61.2037 63.0384 176.0486 50 L 3.7774 8.0196 124.1738 57.8690 41.8420 178.7673 51 E 3.7972 8.2112 118.6239 59.3715 29.3971 179.4130 52 R 3.7654 7.9955 118.3734 59.3423 30.0759 178.4164 53 A 3.9377 8.0763 120.7473 55.1031 18.1135 179.7087 54 I 3.1072 7.2941 117.3102 64.2381 37.1644 178.0712 55 E 4.0556 7.6503 118.0405 59.7424 29.4406 179.1867 56 E 4.1184 8.0321 116.6567 59.0549 29.6257 179.1622 57 A 4.0531 8.0546 116.9542 53.4713 16.5757 178.6959 *59 K 4.1303 7.9485 122.2906 57.2590 34.0532 177.5279 60 N 4.5173 7.8562 115.6821 56.3063 38.7316 175.8027 61 Q 4.1758 7.4426 114.3920 54.5947 29.4145 173.7960 62 P 4.4303 0.0000 0.0000 64.1162 31.7999 176.4270 63 C 3.7222 9.2544 118.8615 60.0165 26.2779 172.7540 64 V 4.0101 7.3623 120.8351 62.7748 31.3063 174.8922 65 Y 4.3537 9.0382 129.7876 59.9202 39.4919 174.6140 66 D 4.6209 7.8478 116.0616 53.6937 45.0052 173.4104 67 I 4.8609 7.8170 120.0450 59.8469 41.1729 173.3775 68 K 4.7649 9.3090 129.2867 54.6372 35.6160 174.8078 69 V 4.7769 9.4819 127.2487 61.0129 33.8591 174.6362 70 K 4.7980 9.2716 127.3703 54.6238 35.4205 175.0046 71 I 4.6470 8.9277 125.7329 59.7444 38.9603 175.8070 72 R 4.4303 8.5450 125.7324 55.6797 31.7802 175.5656 73 N 4.5288 8.5139 114.1880 54.2850 36.1057 174.8473 74 V 3.7790 7.2086 115.4834 62.4161 32.4244 175.4618 75 G 4.1307 8.2530 115.2140 43.2864 0.0000 173.7796 76 E 3.9165 8.7405 119.6769 59.0310 29.7024 177.4585 77 K 4.4201 7.8166 117.4914 56.0597 32.7063 176.9018 78 Y 4.6686 8.6972 123.0200 57.2372 39.1117 175.0406 79 V 4.3746 8.5505 113.5851 59.1838 36.4640 174.9964 80 S 4.6036 8.5326 118.4956 58.1985 63.3934 174.2757 81 L 4.0568 8.9038 127.8634 55.9333 42.6516 175.5655 82 D 5.0612 8.5135 124.7493 51.0670 41.7882 176.1494 83 G 3.4914 8.6316 108.9512 48.7737 0.0000 175.2733 84 K 4.2807 7.6870 120.1508 55.9684 31.1269 177.0019 *86 L 4.1090 7.6955 117.1644 54.7522 43.4189 177.2172 87 D 4.8578 9.0521 122.0119 52.7010 44.0941 173.9015 88 V 4.9130 9.1581 126.5458 61.0463 34.8895 173.7047 89 D 5.3645 8.9393 127.3327 52.4207 43.7119 174.9449 90 L 5.1494 8.7891 124.5457 53.1299 45.8529 174.9434 91 K 4.9889 9.0414 125.1432 54.6667 34.9865 174.9852 92 I 4.9554 8.6041 125.7479 59.2733 40.1064 174.3937 93 K 4.8910 8.6757 127.7327 54.6339 34.4211 175.3900 94 I 4.4792 8.8236 128.1151 60.1330 40.5692 176.9540 95 N 4.1884 8.6862 125.2542 54.6516 37.6706 176.3804 96 K 4.3028 9.0292 126.4556 57.5819 33.0403 176.0175 97 T 4.4841 8.1707 118.2510 62.3997 69.5709 173.5680 98 V 4.8362 8.5342 126.1589 61.0914 33.9493 173.9448 99 A 4.6713 8.8885 130.6580 50.9990 20.9174 175.2086 100 H 5.0958 9.2129 119.9313 54.1458 30.9458 174.0915 101 L 5.0628 9.0805 123.1908 52.6705 45.5254 175.4327 102 K 4.8392 8.4703 121.5824 54.5547 35.4177 175.0402 103 L 5.1037 8.7327 129.5361 53.3480 44.4144 174.7841 104 E 5.2158 8.8567 122.6519 55.3835 33.5013 173.5998 105 Y 4.7334 8.7356 122.8065 57.6743 40.3880 174.0423 106 I 4.2366 8.3359 128.6228 59.0162 38.4229 174.6900 107 P 3.9191 0.0000 0.0000 65.4604 31.4422 179.0997 108 E 3.9992 8.1283 116.2612 58.4484 29.4504 177.5997 109 I 4.2661 7.4929 109.0091 59.3942 38.4074 174.6438 110 D 4.4615 7.7814 118.5680 54.3877 40.1873 172.8460 111 Y 4.9156 7.5322 118.2362 55.3036 42.9165 173.0407 112 P 5.0084 0.0000 0.0000 62.6557 31.3493 175.3550 113 L 4.7245 8.6512 132.3600 54.5771 45.5126 174.2388 *115 Y 4.8560 8.2209 115.1124 57.3783 40.1149 173.7346 116 V 4.3800 8.2905 119.0708 61.4667 32.1109 175.5019 117 K 4.4090 8.9981 129.0270 58.5944 32.3735 177.3211 118 K 4.3504 7.3450 116.0616 56.4903 35.2435 173.2795 119 F 5.2963 9.0107 119.1548 55.8688 41.8330 175.7853 120 E 4.4077 9.4408 120.6634 56.5490 29.7313 175.9674 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 0 S 8.33 4.37 0.00 3.83 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 1 L 8.35 4.25 0.00 1.74 1.67 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.53 3.95 0.00 1.82 1.96 0.00 3.08 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 3 V 8.38 3.65 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 0.72 0.00 0.00 1.06 0.00 0.00 4 E 7.51 2.54 0.00 1.31 1.12 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 2.10 2.05 0.00 5 E 7.66 4.03 0.00 2.13 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 2.27 2.35 0.00 6 T 7.68 4.17 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 1.27 0.00 0.00 7 E 8.76 4.05 0.00 2.09 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 2.45 2.41 0.00 8 V 7.84 3.70 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 1.04 0.00 0.00 1.01 0.00 0.00 9 F 8.28 4.39 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 10 K 8.58 4.44 0.00 2.18 2.01 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.85 7.81 11 K 8.19 3.98 0.00 1.80 2.06 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 0.91 7.81 12 Y 7.67 4.03 0.00 2.51 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 0.00 0.00 0.00 0.00 13 F 8.03 4.86 0.00 3.15 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 14 K 8.15 4.14 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.69 1.34 7.81 15 N 8.05 4.71 0.00 2.79 2.86 0.00 0.00 5.83 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.39 4.99 0.00 1.67 1.64 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.59 4.19 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 D 8.60 4.45 0.00 2.80 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 19 R 7.88 4.05 0.00 1.71 1.74 0.00 2.76 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.44 0.00 20 E 8.28 4.07 0.00 2.31 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 2.38 2.38 0.00 21 R 8.51 4.08 0.00 2.07 2.04 0.00 3.28 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 1.80 1.94 0.00 22 A 8.31 4.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 3.69 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 1.00 0.00 0.00 1.21 0.00 0.00 24 F 8.56 4.31 0.00 3.21 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 25 E 8.73 3.85 0.00 2.19 1.95 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 2.56 2.47 0.00 26 G 8.35 3.67 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 0.00 0.00 0.00 27 G 8.34 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.43 3.58 1.80 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.01 0.82 0.00 0.00 29 T 7.68 3.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 30 L 8.13 4.16 0.00 1.70 1.74 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.43 3.60 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 0.00 0.00 0.00 32 A 8.46 4.00 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 33 L 8.39 4.10 0.00 1.94 2.04 0.95 0.92 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 34 F 8.33 4.03 0.00 3.34 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 35 H 8.41 4.30 0.00 3.28 3.43 0.00 5.71 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 36 Q 8.23 3.85 0.00 1.85 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 37 F 7.84 4.66 0.00 3.30 3.01 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 38 V 7.17 3.82 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 -0.14 0.00 0.00 0.77 0.00 0.00 39 G 8.80 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 0.00 0.00 0.00 40 T 7.90 4.08 4.31 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 1.26 0.00 0.00 41 P 0.00 5.08 0.00 1.74 1.47 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 42 V 9.36 4.87 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 0.86 0.00 0.00 0.93 0.00 0.00 43 S 9.71 4.97 0.00 4.19 4.14 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 44 K 8.69 3.93 0.00 1.84 1.96 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.55 7.81 45 Y 7.82 4.30 0.00 2.93 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 46 N 7.99 4.49 0.00 2.79 2.87 0.00 0.00 5.78 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 47 K 7.74 3.75 0.00 1.99 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.47 7.81 48 E 7.99 3.89 0.00 1.96 1.91 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 2.35 2.31 0.00 49 S 7.82 4.03 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.02 3.78 0.00 1.77 1.76 0.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.21 3.80 0.00 2.10 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 2.33 2.34 0.00 52 R 8.00 3.77 0.00 1.81 1.99 0.00 3.04 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 53 A 8.08 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.29 3.11 1.52 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 0.67 0.00 0.00 55 E 7.65 4.06 0.00 2.05 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 2.43 2.34 0.00 56 E 8.03 4.12 0.00 1.91 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 2.30 2.45 0.00 57 A 8.05 4.05 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 *59 K 7.95 4.13 0.00 1.95 2.01 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 60 N 7.86 4.52 0.00 2.86 2.88 0.00 0.00 7.06 7.61 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 61 Q 7.44 4.18 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 62 P 0.00 4.43 0.00 2.23 1.89 0.00 3.83 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 63 C 9.25 3.72 0.00 3.16 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 64 V 7.36 4.01 2.23 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 0.70 0.00 0.00 1.00 0.00 0.00 65 Y 9.04 4.35 0.00 2.94 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 66 D 7.85 4.62 0.00 2.68 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.82 4.86 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.89 0.00 0.00 68 K 9.31 4.76 0.00 1.75 1.55 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.46 7.81 69 V 9.48 4.78 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 0.74 0.00 0.00 0.86 0.00 0.00 70 K 9.27 4.80 0.00 1.71 1.63 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.50 7.81 71 I 8.93 4.65 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.49 0.87 0.00 0.00 72 R 8.55 4.43 0.00 1.81 1.82 0.00 3.45 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 73 N 8.51 4.53 0.00 2.81 2.85 0.00 0.00 6.92 7.68 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 74 V 7.21 3.78 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 0.76 0.00 0.00 0.97 0.00 0.00 75 G 8.25 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 76 E 8.74 3.92 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 77 K 7.82 4.42 0.00 1.64 1.67 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.43 7.81 78 Y 8.70 4.67 0.00 3.05 2.96 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 79 V 8.55 4.37 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 0.66 0.00 0.00 0.92 0.00 0.00 80 S 8.53 4.60 0.00 3.76 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 81 L 8.90 4.06 0.00 1.86 1.55 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.51 5.06 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.63 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.69 4.28 0.00 1.72 1.26 0.00 1.64 0.00 0.00 1.51 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.43 7.81 *86 L 7.70 4.11 0.00 1.72 1.66 0.79 0.95 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 87 D 9.05 4.86 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 9.16 4.91 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 1.00 0.00 0.00 0.93 0.00 0.00 89 D 8.94 5.36 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.79 5.15 0.00 1.68 1.39 0.98 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 91 K 9.04 4.99 0.00 1.92 1.68 0.00 1.92 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.03 1.36 7.81 92 I 8.60 4.96 1.86 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 1.08 1.23 1.02 0.00 0.00 93 K 8.68 4.89 0.00 1.51 1.68 0.00 1.08 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.38 7.81 94 I 8.82 4.48 1.91 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 1.33 1.10 0.95 0.00 0.00 95 N 8.69 4.19 0.00 2.98 2.04 0.00 0.00 7.13 7.61 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 96 K 9.03 4.30 0.00 1.73 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 97 T 8.17 4.48 4.40 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 1.37 0.00 0.00 98 V 8.53 4.84 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 0.83 0.00 0.00 0.65 0.00 0.00 99 A 8.89 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 H 9.21 5.10 0.00 2.90 3.15 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 9.08 5.06 0.00 1.45 1.49 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.47 4.84 0.00 1.15 0.74 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 1.24 7.81 103 L 8.73 5.10 0.00 1.79 1.50 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.86 5.22 0.00 2.18 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 2.44 2.43 0.00 105 Y 8.74 4.73 0.00 3.31 2.97 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 0.00 106 I 8.34 4.24 1.77 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 1.24 1.39 0.83 0.00 0.00 107 P 0.00 3.92 0.00 2.14 2.17 0.00 3.48 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 2.12 2.19 0.00 108 E 8.13 4.00 0.00 1.87 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 2.28 2.34 0.00 109 I 7.49 4.27 1.82 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 1.24 0.65 0.85 0.00 0.00 110 D 7.78 4.46 0.00 2.85 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 0.00 111 Y 7.53 4.92 0.00 3.22 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 0.00 112 P 0.00 5.01 0.00 2.26 2.39 0.00 2.79 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 113 L 8.65 4.72 0.00 2.03 1.80 1.08 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *115 Y 8.22 4.86 0.00 3.17 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 0.00 116 V 8.29 4.38 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 0.39 0.00 0.00 0.89 0.00 0.00 117 K 9.00 4.41 0.00 1.75 1.84 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.26 1.36 7.81 118 K 7.34 4.35 0.00 1.78 1.85 0.00 1.40 0.00 0.00 1.76 0.00 0.00 2.56 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.18 1.25 7.81 119 F 9.01 5.30 0.00 2.94 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 0.00 120 E 9.44 4.41 0.00 1.88 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 2.27 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.