NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.0653 8.3301 116.6838 58.2290 62.9690 172.3459 2 A 4.4555 8.0430 127.3405 50.0407 18.1039 174.7350 3 N 4.9961 8.3082 121.1826 52.0594 41.8795 174.0103 4 E 4.0561 8.8163 123.0385 58.8403 28.4442 177.2003 5 N 4.7070 9.5267 117.4438 53.4723 38.8733 174.4698 6 N 5.0018 8.2239 117.2822 53.0791 40.3563 173.9027 7 L 4.9059 8.8254 121.6564 53.1544 44.9831 175.4977 8 I 4.7393 8.7915 125.0026 59.9918 38.9378 174.5985 9 W 5.1501 9.5620 128.1822 55.1186 31.1188 175.3295 10 I 5.3038 8.5561 123.6600 59.7237 41.5563 174.0110 11 D 4.7087 8.9283 125.5322 53.2875 44.7202 174.1731 12 L 5.3570 8.9736 125.2192 53.1047 45.5571 174.6818 13 E 4.7274 8.5581 119.0251 54.8793 33.4814 177.0516 *15 T 4.2382 8.5948 108.9975 61.5047 70.4865 173.3455 16 G 4.0970 7.3063 107.6310 46.3184 0.0000 172.7176 17 L 4.4163 8.7441 117.5792 54.9867 42.1956 176.3519 18 D 4.7990 8.4513 120.2458 51.7636 41.2664 174.7268 19 P 2.9700 0.0000 0.0000 65.3444 31.3896 177.9285 20 E 4.1331 8.0630 115.9587 57.8928 29.7276 177.3955 21 R 4.3908 8.0205 117.1593 56.7021 31.4264 175.3745 22 D 4.9676 8.9458 118.3010 52.8873 42.8136 174.9808 23 R 4.3904 8.7179 118.6616 54.3011 33.9697 175.3888 24 I 4.0777 7.9152 120.6028 61.1754 37.8890 176.0736 25 I 4.6332 8.2236 116.6934 60.6591 39.7513 174.5946 26 E 5.2026 7.6812 122.7641 55.2874 33.2056 173.3363 27 I 5.2344 8.8699 125.3686 59.4680 42.0604 173.5914 28 A 5.2803 8.7763 128.8458 50.8546 22.9797 175.0317 29 T 5.2714 8.2604 109.4101 60.6993 72.9209 172.1911 30 L 4.9937 8.9207 122.7199 54.1494 46.3146 173.8936 31 V 5.2193 8.8549 123.8335 61.3660 34.6441 174.6089 32 T 5.1197 8.9204 117.1516 59.9974 72.6082 172.7598 33 D 5.3165 9.0087 121.8250 50.9940 41.4006 177.2395 34 A 4.1772 7.9473 120.9371 55.0842 18.2421 178.2253 35 N 4.8098 8.2792 111.0698 53.1334 38.7917 175.4507 36 L 3.7657 8.3751 116.2239 55.2865 39.9685 174.2534 37 N 4.4891 8.6665 118.4123 52.6775 38.9772 174.6159 38 I 4.0143 8.2033 124.5970 61.4022 37.6071 175.4976 39 L 4.3873 8.5901 126.0969 56.4953 42.8975 177.2372 40 A 4.2835 7.1575 117.4124 50.5964 22.4779 174.7557 41 E 4.4936 8.6000 122.7253 54.4884 31.1753 176.2902 42 G 2.6243 7.9296 115.5626 44.1837 0.0000 170.5803 43 P 4.5082 0.0000 0.0000 62.7265 32.4093 176.0134 44 T 4.5469 8.3349 119.8782 62.5114 69.6816 174.0936 45 I 4.5621 8.9795 127.7480 59.1693 40.4855 174.7285 46 A 4.5399 8.6533 129.4599 51.5173 19.2175 176.5815 47 V 4.0037 8.4425 124.3968 61.8077 32.3968 175.5608 48 H 4.5396 8.7478 127.5732 55.8618 30.4741 174.2355 49 Q 4.4491 7.8567 123.9631 52.8323 32.8923 175.4766 50 S 4.2805 8.3805 115.9812 58.7859 64.7860 175.3715 51 D 4.4218 8.5317 121.8140 57.2580 40.3530 178.8643 52 E 4.0091 8.0339 118.3985 59.0186 29.8351 178.5515 53 Q 4.0846 8.0229 119.6000 59.3017 29.0223 178.2313 54 L 4.1152 7.7000 118.1907 57.5922 41.6569 179.0309 55 A 4.3100 7.4910 119.6958 53.4064 19.4001 178.7793 56 L 4.1918 7.7512 118.9555 52.8991 40.2629 175.6033 *58 D 4.4450 7.6197 122.7653 52.4825 41.2008 177.0235 59 D 4.2556 8.6748 118.4042 57.8041 40.6701 179.6826 60 W 4.4538 8.0166 118.2684 59.6208 29.0103 178.4285 61 N 4.3344 9.1420 117.2459 56.2593 38.0523 177.4799 62 V 3.6024 7.8950 119.6396 66.0666 31.4791 178.3330 63 R 3.8800 7.8166 117.2486 59.5871 30.0927 179.1633 64 T 3.8739 7.8322 115.2170 67.1831 68.4625 176.5773 65 H 4.4226 8.3072 117.7728 58.6391 28.5654 178.0037 66 T 3.9639 7.9877 117.8274 66.2392 68.1961 176.9005 67 A 4.0215 8.0781 123.2946 54.8211 18.5682 178.6794 68 S 4.0530 7.7708 109.2661 59.4633 63.6743 175.4770 69 G 3.9608 7.8693 110.3280 45.0959 0.0000 175.0605 70 L 3.9161 7.7957 121.2899 58.1077 42.0617 178.8363 71 V 3.6139 8.0198 118.3527 66.1008 31.4086 177.9511 72 E 3.9699 8.0649 117.6887 59.5239 29.4823 179.3594 73 R 3.9433 7.9476 118.1071 59.1850 29.6240 179.3205 74 V 3.6016 8.2978 118.5177 65.9921 31.3081 178.3354 75 K 4.0821 7.8939 116.8637 58.9636 32.0012 178.5315 76 A 4.2494 7.8555 119.0163 52.2241 19.2243 177.6591 77 S 4.2268 7.4115 112.8867 58.3702 63.2480 174.5502 78 T 4.2843 8.1134 117.2753 59.6722 68.1270 173.3493 *80 G 3.8478 7.4819 115.8129 46.2201 0.0000 169.9390 81 D 4.4050 8.8512 117.8308 57.7588 40.7714 179.0027 82 R 3.9198 7.9546 118.2520 59.4947 30.2162 178.1854 83 E 3.9829 8.1764 117.7101 59.4524 29.5439 179.1046 84 A 4.0370 8.1909 120.8357 54.8152 18.3701 179.3031 85 E 3.8751 8.3347 118.0454 59.5128 29.7027 179.0083 86 L 3.9636 8.4591 119.0966 57.8857 41.8303 179.4881 87 A 4.0152 8.0357 120.6221 55.4295 18.2088 179.8792 88 T 3.9573 8.0139 114.3764 66.7513 68.4783 177.0418 89 L 3.6742 8.0945 121.0610 57.5976 41.3921 179.0109 90 E 3.9397 8.2065 118.5940 59.1568 29.6298 178.5772 91 F 4.4597 8.1966 120.2436 61.3739 39.5258 177.2586 92 L 3.6239 8.0557 118.7771 57.6389 41.1491 179.6021 93 K 4.4460 7.8826 118.9582 58.4587 32.0266 178.3255 94 Q 4.0879 7.4334 115.9756 56.1191 29.2993 176.2048 95 W 4.6598 8.3176 119.1575 56.3818 31.7702 175.5452 96 V 4.7290 7.5520 116.6065 60.3213 33.9804 172.6637 97 P 4.4595 0.0000 0.0000 61.8731 32.5364 175.9718 98 A 2.6442 7.9756 122.3413 53.0418 18.6681 178.4788 99 G 3.8488 8.0990 108.3278 46.1570 0.0000 174.7558 100 K 4.1843 7.4517 118.4102 57.4656 33.1496 176.9400 101 S 4.7919 7.6271 113.5229 56.1105 64.1256 172.3247 102 P 4.8741 0.0000 0.0000 62.1824 32.8895 175.1159 103 I 3.7999 7.8633 120.4434 60.6661 38.9289 174.1294 104 C 4.9766 8.9387 126.4731 56.2426 30.9438 174.9471 105 G 4.1425 7.1836 107.6409 45.9378 0.0000 169.7685 106 N 5.1586 8.4819 118.0934 52.8027 40.7380 175.2728 107 S 4.4665 10.0729 121.3185 58.4926 61.0705 173.4831 108 I 4.4435 6.9915 112.7093 61.1646 38.1503 177.2674 109 G 3.8088 7.8028 108.6355 48.3369 0.0000 175.8015 110 Q 4.1803 8.1422 121.7823 58.9299 28.8055 177.8893 111 D 4.5027 8.1122 119.5458 57.4742 40.9316 178.5428 112 R 3.7978 8.3891 119.3795 59.3063 29.4745 178.6603 113 R 4.2259 8.1108 117.7469 59.5300 30.0440 178.9977 114 F 4.2330 8.3639 116.3269 60.2519 38.7042 177.9027 115 L 4.1314 7.8676 118.1236 57.7682 41.4892 178.9277 116 F 4.3208 8.1429 116.9101 60.6108 38.9707 177.4488 117 K 3.9683 7.5970 116.3595 58.9398 32.0953 178.1249 118 Y 4.7287 7.8619 114.9319 57.6497 39.2665 175.1006 *120 P 4.5242 0.0000 0.0000 62.6643 33.5873 178.7586 121 E 3.9566 8.4306 116.9651 59.1831 29.9109 178.1293 122 L 4.0967 8.5363 120.6241 58.0218 42.3003 178.3479 123 E 4.0351 8.3237 118.6301 59.4339 29.3806 178.3630 124 A 4.2404 8.1200 118.5182 54.2491 18.7985 178.3242 125 Y 3.9020 8.1215 118.2073 58.8456 38.8037 175.4818 126 F 4.7222 7.2385 117.4740 56.7078 39.0721 174.8529 127 H 4.4569 9.4888 123.9506 55.7716 30.2663 176.1269 128 Y 4.3374 7.7562 121.0369 59.5872 38.5127 176.6643 129 R 4.4559 6.9944 116.9498 56.3465 31.5930 175.0291 130 Y 4.7660 8.6943 117.9241 56.3553 40.5457 176.0330 131 L 4.5714 8.7870 125.8574 53.0574 42.9185 172.4100 132 D 4.9831 8.1491 121.6220 52.4171 42.1580 176.6370 133 V 3.8116 8.9664 127.5142 66.2745 31.4671 177.9866 134 S 4.3139 8.4075 114.1408 61.2442 62.6254 176.6023 135 T 3.8181 7.8651 119.1148 66.6171 68.1392 176.6959 136 L 3.9996 7.8486 120.4534 57.4293 41.7123 179.2213 137 K 3.5561 7.8886 121.0137 58.7097 31.6433 178.4142 138 E 3.7914 8.2240 119.6684 59.3537 29.5578 178.8718 139 L 3.3624 7.6874 118.6878 57.3011 41.5045 179.4225 140 A 3.2443 7.5675 121.5152 54.6892 17.9867 179.7551 141 R 3.9845 7.6323 112.9502 58.5929 29.6551 178.4060 142 R 4.2916 7.1763 117.2003 57.0682 30.6717 177.4745 143 W 5.0710 7.9808 115.8043 56.1891 32.3318 176.1722 144 K 5.0732 8.7358 118.8583 54.2203 33.2579 174.2826 145 P 4.2638 0.0000 0.0000 65.8194 31.2179 178.0251 146 E 4.0003 8.3372 118.6169 59.6516 29.5126 179.1691 147 I 3.9696 7.6799 112.8014 63.9837 37.0410 178.0450 148 L 4.1991 7.9154 120.0264 57.3415 41.1125 178.8823 149 D 4.1462 8.0297 118.5148 56.7243 41.0083 177.8327 150 G 4.3692 7.8683 105.8516 46.1585 0.0000 173.2495 151 F 4.3136 7.3208 121.5528 56.2631 41.8230 174.1082 152 T 4.3425 7.1581 123.2826 61.6054 71.9196 173.8075 153 K 4.0833 8.2413 126.0295 56.0582 32.9437 177.0376 154 Q 3.8997 8.5595 123.4368 56.5728 29.3839 176.1075 155 G 3.9825 9.3498 105.6269 46.2530 0.0000 172.2078 156 T 4.2261 7.7134 114.8623 61.9633 70.1107 172.3185 157 H 4.5843 8.5577 120.3360 57.0244 29.9713 175.4146 158 Q 3.8661 7.9011 120.7004 56.2424 28.8188 176.3109 159 A 3.6528 8.7824 128.5961 53.7462 19.1826 178.2938 *161 D 4.5704 8.1352 120.2553 55.7478 43.1027 177.8003 162 D 4.3602 8.1726 118.9386 57.4428 40.7019 178.9876 163 I 3.7819 7.7710 120.1748 64.5711 37.1975 178.7361 164 R 3.7169 7.9334 118.2684 59.1092 29.7139 178.5279 165 E 4.0410 8.1206 119.2636 59.0617 29.5694 178.9952 166 S 4.2607 7.8216 115.2341 61.3895 62.9160 176.7045 167 V 2.6959 7.5264 120.7906 65.5930 31.0878 177.9402 168 A 3.9142 7.8897 120.4695 54.9612 18.2297 179.0217 169 E 2.0000 8.2165 118.0463 58.9852 29.6618 178.9529 170 L 4.0021 7.9025 119.8908 58.0582 41.9777 178.7861 171 A 4.0062 7.9511 120.9422 54.8796 18.2357 179.0533 172 Y 3.8453 7.7863 118.3758 61.2123 38.9206 177.7767 173 Y 4.6050 7.6703 117.6052 61.2559 37.6983 178.8141 174 R 4.0772 7.9667 119.0631 59.2998 30.2265 178.1117 175 E 4.0446 7.6718 117.6061 58.7478 29.7733 177.8341 176 H 4.8402 7.8655 112.4772 55.3634 29.9320 174.5738 177 F 5.0060 8.0511 120.8809 59.5629 41.3159 175.5856 178 I 3.8050 8.3303 120.3619 60.8904 37.4566 176.3960 179 K 4.3128 8.0236 125.9922 54.6391 30.9897 176.1309 180 L 4.1744 8.0034 122.6087 54.4946 41.5602 177.1514 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 1 S 8.33 4.07 0.00 3.82 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 2 A 8.04 4.46 1.21 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 0.00 0.00 3 N 8.31 5.00 0.00 2.75 2.90 0.00 0.00 6.88 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 4 E 8.82 4.06 0.00 2.10 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 2.28 2.34 0.00 5 N 9.53 4.71 0.00 2.82 2.90 0.00 0.00 6.85 6.80 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 6 N 8.22 5.00 0.00 2.87 2.85 0.00 0.00 6.80 6.08 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 7 L 8.83 4.91 0.00 1.90 1.56 1.10 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.79 4.74 2.12 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 1.29 1.26 1.11 0.00 0.00 9 W 9.56 5.15 0.00 3.42 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 10 I 8.56 5.30 2.09 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 1.18 1.19 0.84 0.00 0.00 11 D 8.93 4.71 0.00 2.89 2.48 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 12 L 8.97 5.36 0.00 1.47 1.57 1.01 0.74 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 13 E 8.56 4.73 0.00 1.76 1.71 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 2.25 2.41 0.00 *15 T 8.59 4.24 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 1.18 0.00 0.00 16 G 7.31 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 17 L 8.74 4.42 0.00 1.75 1.84 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.45 4.80 0.00 2.76 2.75 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 19 P 0.00 2.97 0.00 1.80 1.51 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 20 E 8.06 4.13 0.00 2.08 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 2.28 2.15 0.00 21 R 8.02 4.39 0.00 1.78 1.98 0.00 3.26 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 22 D 8.95 4.97 0.00 3.23 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 23 R 8.72 4.39 0.00 1.58 1.52 0.00 2.87 0.00 0.00 2.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 24 I 7.92 4.08 1.84 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.89 0.00 0.00 25 I 8.22 4.63 1.77 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.15 0.82 0.00 0.00 26 E 7.68 5.20 0.00 1.98 1.72 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 2.26 2.27 0.00 27 I 8.87 5.23 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.35 0.92 0.00 0.00 28 A 8.78 5.28 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 29 T 8.26 5.27 4.46 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 0.00 0.00 0.00 1.35 0.00 0.00 30 L 8.92 4.99 0.00 1.71 1.54 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.85 5.22 1.85 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 1.18 0.00 0.00 0.95 0.00 0.00 32 T 8.92 5.12 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 0.93 0.00 0.00 33 D 9.01 5.32 0.00 2.87 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 34 A 7.95 4.18 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 0.00 0.00 0.00 0.00 0.00 35 N 8.28 4.81 0.00 2.83 2.85 0.00 0.00 6.98 7.85 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 36 L 8.38 3.77 0.00 1.77 1.76 0.98 1.16 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 37 N 8.67 4.49 0.00 3.04 2.73 0.00 0.00 7.03 6.93 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 38 I 8.20 4.01 1.77 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 1.20 0.30 0.79 0.00 0.00 39 L 8.59 4.39 0.00 1.15 1.43 1.08 0.68 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 40 A 7.16 4.28 0.16 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 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.60 4.49 0.00 1.86 1.73 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 2.04 2.17 0.00 42 G 7.93 2.62 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 43 P 0.00 4.51 0.00 2.02 1.96 0.00 3.28 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 44 T 8.33 4.55 4.20 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 1.19 0.00 0.00 45 I 8.98 4.56 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 1.14 0.69 0.91 0.00 0.00 46 A 8.65 4.54 1.21 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 0.00 0.00 47 V 8.44 4.00 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 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0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.99 3.96 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 1.21 0.00 0.00 67 A 8.08 4.02 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 68 S 7.77 4.05 0.00 3.86 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 69 G 7.87 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 0.00 0.00 0.00 70 L 7.80 3.92 0.00 1.78 1.85 0.94 0.80 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 71 V 8.02 3.61 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 0.97 0.00 0.00 1.01 0.00 0.00 72 E 8.06 3.97 0.00 2.18 1.97 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 2.39 2.34 0.00 73 R 7.95 3.94 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 74 V 8.30 3.60 2.25 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 1.06 0.00 0.00 1.01 0.00 0.00 75 K 7.89 4.08 0.00 1.94 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.72 7.81 76 A 7.86 4.25 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 77 S 7.41 4.23 0.00 4.02 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 78 T 8.11 4.28 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 1.18 0.00 0.00 *80 G 7.48 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 81 D 8.85 4.41 0.00 2.77 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 82 R 7.95 3.92 0.00 1.96 1.95 0.00 3.31 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 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0.00 0.00 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 F 7.24 4.72 0.00 3.14 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 0.00 127 H 9.49 4.46 0.00 2.98 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 7.76 4.34 0.00 3.15 3.10 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 0.00 129 R 6.99 4.46 0.00 1.61 1.87 0.00 2.89 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.98 0.00 130 Y 8.69 4.77 0.00 2.68 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 0.00 131 L 8.79 4.57 0.00 1.54 1.25 0.82 1.26 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 0.00 132 D 8.15 4.98 0.00 2.81 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 0.00 133 V 8.97 3.81 2.25 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 1.26 0.00 0.00 1.26 0.00 0.00 134 S 8.41 4.31 0.00 4.08 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 0.00 135 T 7.87 3.82 4.43 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 1.18 0.00 0.00 136 L 7.85 4.00 0.00 1.87 1.41 1.14 0.97 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 0.00 137 K 7.89 3.56 0.00 2.16 2.00 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 138 E 8.22 3.79 0.00 2.16 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 2.20 2.24 0.00 139 L 7.69 3.36 0.00 1.85 1.46 0.89 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.57 3.24 0.40 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 0.00 141 R 7.63 3.98 0.00 1.94 1.99 0.00 3.01 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 142 R 7.18 4.29 0.00 1.37 1.85 0.00 2.93 0.00 0.00 3.04 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 143 W 7.98 5.07 0.00 3.62 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 0.00 144 K 8.74 5.07 0.00 2.05 1.83 0.00 1.97 0.00 0.00 2.17 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.59 7.81 145 P 0.00 4.26 0.00 2.32 2.48 0.00 3.84 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 2.12 2.11 0.00 146 E 8.34 4.00 0.00 2.15 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 2.45 2.49 0.00 147 I 7.68 3.97 2.25 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 1.83 0.68 1.13 0.00 0.00 148 L 7.92 4.20 0.00 1.89 1.79 0.88 1.36 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 0.00 149 D 8.03 4.15 0.00 2.88 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 0.00 150 G 7.87 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 0.00 0.00 0.00 0.00 151 F 7.32 4.31 0.00 1.51 2.32 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 0.00 152 T 7.16 4.34 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 1.07 0.00 0.00 153 K 8.24 4.08 0.00 1.68 1.67 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.48 1.52 7.81 154 Q 8.56 3.90 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.44 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 155 G 9.35 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 0.00 0.00 0.00 156 T 7.71 4.23 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 157 H 8.56 4.58 0.00 3.19 3.30 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 7.90 3.87 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 159 A 8.78 3.65 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 *161 D 8.14 4.57 0.00 2.86 2.73 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 0.00 162 D 8.17 4.36 0.00 2.90 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 0.00 163 I 7.77 3.78 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.82 1.01 0.00 0.00 164 R 7.93 3.72 0.00 1.92 1.90 0.00 3.06 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 165 E 8.12 4.04 0.00 2.22 2.11 0.00 0.00 0.00 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 2.40 0.00 166 S 7.82 4.26 0.00 4.19 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 0.00 167 V 7.53 2.70 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 0.62 0.00 0.00 -0.44 0.00 0.00 168 A 7.89 3.91 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 0.00 169 E 8.22 2.00 0.00 2.05 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 0.00 1.47 1.82 0.00 170 L 7.90 4.00 0.00 2.05 1.94 1.15 1.19 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 0.00 171 A 7.95 4.01 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 0.00 172 Y 7.79 3.85 0.00 2.70 2.43 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 0.00 173 Y 7.67 4.60 0.00 3.31 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 0.00 174 R 7.97 4.08 0.00 1.98 2.12 0.00 3.27 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 175 E 7.67 4.04 0.00 1.61 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 2.36 2.36 0.00 176 H 7.87 4.84 0.00 2.93 3.26 0.00 5.59 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 0.00 177 F 8.05 5.01 0.00 2.91 3.31 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 0.00 178 I 8.33 3.80 2.08 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.00 0.89 0.00 0.00 179 K 8.02 4.31 0.00 1.63 1.67 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.40 7.81 180 L 8.00 4.17 0.00 1.66 1.56 0.92 0.91 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 * Residues marked with a * may have inaccurate shift predictions.