NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2164 8.1849 122.4904 54.7805 42.5173 176.4799 4 T 3.6951 8.1901 123.6308 62.4124 69.1275 168.8619 *6 V 3.8017 8.7469 122.1377 62.9216 32.1749 174.5934 7 S 4.1935 8.8421 123.7131 60.9532 62.1218 175.0052 8 E 4.5117 7.7829 122.2665 54.0740 29.8263 176.6266 9 V 3.8051 8.2005 124.2468 65.3076 32.1006 176.5847 10 Q 4.5766 7.3246 120.4936 53.2893 29.6100 171.5040 11 P 4.4072 0.0000 0.0000 64.8778 31.5259 177.6921 12 V 4.5802 7.2988 108.7635 59.3657 35.5289 174.3253 13 S 4.5310 8.0966 113.6777 56.2435 64.9871 172.0587 14 P 4.1739 0.0000 0.0000 62.5279 31.1393 176.3906 15 A 4.0294 8.5154 127.4147 52.0980 18.8010 177.4010 16 S 4.4945 8.3485 118.0066 56.7684 62.3105 172.7639 17 L 4.2753 8.0527 127.1207 53.9611 42.2874 177.0609 18 D 4.3490 8.7227 123.7864 54.5378 41.5893 175.7350 19 A 4.7236 8.2654 126.2185 49.6359 20.9777 176.1832 20 P 4.2600 0.0000 0.0000 65.6550 31.6883 178.0332 21 L 4.0815 7.8918 119.9559 58.1446 42.1774 177.9099 22 E 4.1711 8.1350 115.9998 58.3682 29.7034 177.2743 23 N 4.9952 8.1319 116.5908 52.4741 39.5363 176.5408 24 A 3.9774 8.2918 123.1239 55.2173 18.2066 180.1214 25 V 3.5837 7.8508 116.5709 66.3104 31.7456 177.8242 26 E 3.9239 8.2116 116.7381 59.5781 29.2131 179.1034 27 I 3.6333 7.4863 120.6950 64.2369 37.1334 178.3385 28 I 3.4529 7.8565 121.0290 64.2492 36.7149 178.4143 29 E 3.6333 8.0300 119.7805 59.4997 29.4951 179.4925 30 T 3.8624 7.8052 109.5764 64.1817 68.8626 177.1371 31 V 3.5169 7.5664 121.5386 66.0511 31.6010 178.1540 32 I 3.1828 7.6490 119.7616 63.9193 36.5404 178.1805 33 S 4.0656 7.8140 113.6207 61.2594 62.1946 175.7446 34 S 4.4234 7.3027 114.7014 59.8386 63.2818 175.9237 35 L 4.0988 7.5364 122.9429 56.8552 42.2876 177.1747 36 H 4.6972 7.3783 113.7958 55.9609 29.1739 175.5801 37 Q 4.5713 8.8280 120.9182 52.1371 29.4977 175.8022 38 G 4.0840 7.3752 112.0674 45.9889 0.0000 170.7740 39 D 4.5194 8.8681 124.0882 53.4249 41.6483 175.8216 40 A 3.9441 8.4539 123.6887 51.9513 18.6062 176.1379 41 P 4.3957 0.0000 0.0000 63.0912 32.1520 175.7035 42 L 4.8525 8.3241 119.8505 53.2681 44.0785 175.8161 43 V 4.5544 7.9196 118.8577 60.5862 34.6762 174.2610 44 G 4.1113 8.6599 108.8390 45.7934 0.0000 171.0525 45 Q 5.0283 8.4844 118.1451 54.1933 31.2607 175.7107 46 T 4.6389 9.1207 118.7680 59.6367 70.0882 174.6108 47 D 4.6403 8.5881 124.0287 56.0122 39.6740 177.2641 48 S 4.4582 8.0013 115.0738 58.0942 63.2141 172.2176 49 G 3.8446 8.1146 107.7433 43.4832 0.0000 173.4902 50 K 4.3345 8.1703 120.2448 56.6607 33.4403 176.3764 51 I 5.0777 8.0094 124.2862 59.7445 42.1320 173.8347 52 W 5.7107 9.7627 128.4784 53.9345 33.2960 173.9518 *54 F 4.7370 8.3812 114.5819 57.5845 39.5104 173.3934 55 R 5.0119 8.6051 118.1532 54.6471 33.0092 173.8644 56 Y 4.9386 8.6196 126.3545 56.4802 41.9600 174.9569 57 G 3.4558 7.9552 118.4173 47.1697 0.0000 174.4988 58 S 4.4421 9.4502 119.4423 57.8144 63.5075 173.6339 59 A 4.7130 7.9570 124.7216 50.5810 21.0880 174.9101 60 E 4.6886 8.4167 120.6942 54.3400 31.2140 175.2076 61 V 4.0164 7.6173 127.1325 60.7430 33.8508 174.4890 62 F 4.6468 8.4157 126.0209 55.3785 41.7366 174.6252 63 V 4.8831 8.6531 122.3827 61.1833 34.7294 173.8566 64 Q 5.2290 9.7952 128.9076 54.3144 32.4680 173.4763 65 L 5.3562 8.9791 128.6482 53.3079 43.9583 176.5109 66 S 5.2815 8.5956 121.0468 58.4765 63.5322 174.6620 67 G 4.1152 7.0178 108.0144 45.7911 0.0000 171.6160 68 H 5.0150 7.9339 114.1642 55.4599 29.1116 173.5258 69 T 4.6788 8.5268 109.4747 60.5037 71.1628 174.6740 70 E 4.0413 8.8507 122.1105 59.8907 29.4719 178.4821 71 E 4.0880 7.4898 115.7992 57.6226 30.0388 176.5410 72 D 4.8581 8.2651 120.2619 54.1372 42.6621 175.0493 73 F 5.3426 9.1961 118.1136 55.6912 42.7381 174.5795 74 L 5.1705 9.1278 124.1543 53.8172 44.5384 175.1546 75 T 5.3089 9.4202 123.5203 61.9016 72.0359 173.1218 76 I 5.3756 9.0544 127.0627 59.3268 40.7075 174.7215 77 W 5.8423 9.0150 122.8892 55.8091 32.5756 173.9357 78 S 5.0455 9.1165 114.3910 56.8016 65.4607 172.0719 79 P 4.9494 0.0000 0.0000 63.2071 31.5952 176.2757 80 V 4.5019 8.7861 115.0396 61.2482 34.1637 175.8033 81 L 4.4762 7.5894 121.4669 53.3436 45.1966 172.0728 82 P 4.7991 0.0000 0.0000 62.8504 32.1968 175.6442 83 L 4.9124 8.5612 122.8618 52.1512 44.6960 174.3056 84 P 4.7570 0.0000 0.0000 61.8667 32.5040 175.2394 85 V 4.4924 7.8699 116.0162 60.7802 34.7651 174.8306 86 A 4.1328 8.9165 126.8895 55.0313 18.4912 178.2555 87 D 4.8721 7.6796 116.4584 52.1440 40.4640 175.9451 88 E 3.4848 7.9592 123.0358 58.3067 29.7150 178.3247 89 L 3.8522 7.6276 119.8641 58.1790 42.3434 178.8170 90 A 4.0963 7.9737 120.6267 54.7115 18.1238 179.4056 91 L 3.4094 7.5582 119.3558 58.4382 42.2030 178.5182 92 Y 4.2847 8.3172 116.9544 61.3563 37.9261 178.9617 93 R 3.9576 8.3157 119.4777 58.8863 30.1129 178.6447 94 K 3.9455 7.6309 118.3672 59.3739 32.2927 178.6425 95 L 3.4814 7.8989 119.4514 57.9421 41.3271 179.7282 96 L 4.1450 7.8780 117.3467 57.8412 41.8583 179.4008 97 T 4.1391 7.8317 115.8478 66.5292 68.1506 176.9159 98 L 4.1297 8.4979 121.3990 57.6738 41.4457 178.7697 99 N 4.6903 8.0870 114.5876 53.7251 38.7817 175.0763 100 W 4.6208 7.8250 131.1242 56.4621 30.0730 175.3634 101 L 3.7044 8.1118 131.1352 55.8212 39.9660 177.3544 102 T 3.3930 7.6621 113.1589 66.4041 68.6829 174.7944 103 T 4.2176 7.2944 109.2343 60.7482 70.4484 175.8708 104 F 3.6955 6.9044 121.9875 59.1871 38.2356 178.5206 105 E 4.0433 9.3128 129.1690 59.1724 29.2279 175.8622 106 A 4.8985 7.3122 120.3041 51.2163 21.5699 175.1752 107 H 4.4880 8.1740 111.8828 55.2303 32.0892 173.4485 108 F 4.9646 10.0619 119.0549 57.3020 40.1025 174.9970 109 A 4.7104 9.0125 122.6419 51.1558 23.4725 174.6947 110 I 4.9857 7.8678 118.6117 59.7680 39.9006 175.6950 111 A 4.3501 9.3603 127.2240 52.3984 22.4178 175.5565 112 E 3.8003 9.5249 117.9507 57.7703 27.2749 175.0768 113 E 3.8930 8.3356 111.7883 57.2260 27.5600 174.1291 114 Q 5.0429 8.0036 116.3401 54.3552 34.1181 173.9713 115 V 4.4769 8.9384 121.8192 62.3189 33.0116 174.9162 116 Q 5.2374 9.3590 126.6378 54.1714 32.7601 174.3864 117 V 4.5333 8.5792 122.3172 61.3528 33.5292 175.0892 118 V 5.2600 8.5214 126.0193 60.4732 35.4825 173.6067 119 A 5.0668 9.1419 123.2311 50.6270 22.5772 175.1297 120 S 5.3019 8.7590 116.5298 56.7608 65.6956 173.0300 121 R 4.7656 8.9135 121.5848 55.4181 32.9431 174.7092 122 T 3.9385 8.0581 116.6316 63.2422 69.3595 175.1733 123 L 4.1811 8.3064 122.9016 55.5951 42.1590 177.5910 124 G 3.7264 7.8133 108.9871 46.8111 0.0000 173.6781 125 G 3.8364 8.8471 112.2135 46.0374 0.0000 173.0323 126 I 4.1574 7.3920 119.0134 60.3339 38.9254 175.5387 127 T 4.6761 8.5605 116.3098 59.2691 72.8431 175.2303 128 A 4.0587 8.3863 122.5275 55.2187 18.4076 180.0184 129 G 3.5621 8.0362 103.7766 48.0064 0.0000 175.6338 130 E 4.0036 7.9040 120.2757 59.2090 29.3479 179.4289 131 I 3.6845 7.6082 119.5067 64.3572 37.0006 178.4739 132 S 4.0017 8.1830 114.1245 61.1494 62.1016 176.2320 133 R 3.8033 7.9213 121.4779 59.3840 29.8701 178.5239 134 L 3.9739 8.1937 119.1804 57.9169 41.6000 179.6392 135 I 3.7853 7.5122 119.8469 64.5079 36.9389 178.7237 136 T 3.6756 7.6240 116.7581 66.4960 68.2741 176.8367 137 I 3.6494 7.9151 122.0048 64.3993 37.1164 178.6583 138 V 3.5513 7.7375 118.7349 65.8631 31.2687 177.9163 139 A 3.9583 7.9062 120.7072 55.4039 18.2460 179.7580 140 T 3.9903 8.1171 108.7972 64.9134 68.7525 176.7412 141 L 4.2223 8.2250 121.6861 57.6088 41.8176 179.3193 142 A 4.1279 8.2930 120.8215 55.3501 18.0973 179.2302 143 D 4.4211 8.4329 115.8421 57.4386 40.0780 177.9215 144 D 4.4682 8.5350 119.6868 57.1897 40.8914 177.7735 145 Y 4.3518 8.4949 116.4532 59.1900 38.1116 177.6452 146 D 4.6221 8.1249 120.5733 56.6866 39.5185 178.4510 147 D 4.3293 8.1062 119.9450 56.8066 40.8908 178.2253 148 A 4.0401 7.4427 120.7976 55.4691 18.3779 179.7680 149 L 4.2514 8.3469 117.3578 57.9112 41.6525 180.1145 150 R 4.0054 8.0463 118.0453 59.2711 29.8811 178.7672 151 A 4.0429 8.0239 119.2937 54.7494 18.3484 178.4355 152 E 4.1902 7.8270 116.0984 56.7072 30.1127 176.4953 153 F 4.8747 8.0441 115.7912 56.6502 40.3313 175.0915 154 K 4.2074 8.1065 125.9453 56.9243 33.1290 176.0151 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 3 L 8.18 4.22 0.00 1.62 1.68 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.19 3.70 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 *6 V 8.75 3.80 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 0.80 0.00 0.00 0.93 0.00 0.00 7 S 8.84 4.19 0.00 3.89 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 8 E 7.78 4.51 0.00 1.94 1.86 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 2.27 2.19 0.00 9 V 8.20 3.81 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 0.75 0.00 0.00 0.93 0.00 0.00 10 Q 7.32 4.58 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 11 P 0.00 4.41 0.00 2.21 2.19 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 12 V 7.30 4.58 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 0.73 0.00 0.00 0.93 0.00 0.00 13 S 8.10 4.53 0.00 3.77 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 14 P 0.00 4.17 0.00 2.07 2.01 0.00 3.73 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 2.02 2.09 0.00 15 A 8.52 4.03 1.23 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 0.00 0.00 0.00 16 S 8.35 4.49 0.00 3.98 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 17 L 8.05 4.28 0.00 1.65 1.64 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.72 4.35 0.00 2.63 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 19 A 8.27 4.72 1.29 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 0.00 0.00 20 P 0.00 4.26 0.00 2.31 2.18 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 21 L 7.89 4.08 0.00 1.61 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.14 4.17 0.00 1.97 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 2.31 2.39 0.00 23 N 8.13 5.00 0.00 2.90 2.86 0.00 0.00 6.69 6.84 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 24 A 8.29 3.98 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 25 V 7.85 3.58 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 1.41 0.00 0.00 1.18 0.00 0.00 26 E 8.21 3.92 0.00 2.21 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 2.61 2.38 0.00 27 I 7.49 3.63 1.94 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 1.47 0.76 0.83 0.00 0.00 28 I 7.86 3.45 1.33 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 1.30 0.66 -0.27 0.00 0.00 29 E 8.03 3.63 0.00 2.14 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 2.36 2.17 0.00 30 T 7.81 3.86 4.17 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 1.19 0.00 0.00 31 V 7.57 3.52 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 0.85 0.00 0.00 0.88 0.00 0.00 32 I 7.65 3.18 1.50 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.13 0.35 0.00 0.00 33 S 7.81 4.07 0.00 3.87 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 34 S 7.30 4.42 0.00 3.88 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 35 L 7.54 4.10 0.00 1.54 1.33 0.72 0.93 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 36 H 7.38 4.70 0.00 3.40 3.09 0.00 5.75 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 37 Q 8.83 4.57 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 38 G 7.38 4.08 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 0.00 0.00 0.00 39 D 8.87 4.52 0.00 2.70 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 40 A 8.45 3.94 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 41 P 0.00 4.40 0.00 2.07 2.12 0.00 3.48 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 42 L 8.32 4.85 0.00 1.73 1.58 0.95 0.76 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 43 V 7.92 4.55 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 0.69 0.00 0.00 0.47 0.00 0.00 44 G 8.66 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.48 5.03 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 46 T 9.12 4.64 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 1.30 0.00 0.00 47 D 8.59 4.64 0.00 2.79 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 S 8.00 4.46 0.00 3.91 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 49 G 8.11 3.84 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 0.00 0.00 0.00 50 K 8.17 4.33 0.00 1.71 1.26 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.59 1.11 7.81 51 I 8.01 5.08 1.91 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.76 0.89 0.00 0.00 52 W 9.76 5.71 0.00 3.35 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 *54 F 8.38 4.74 0.00 3.14 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 55 R 8.61 5.01 0.00 1.87 1.84 0.00 3.11 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 56 Y 8.62 4.94 0.00 3.34 2.87 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 57 G 7.96 3.46 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 0.00 0.00 0.00 0.00 58 S 9.45 4.44 0.00 4.01 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 59 A 7.96 4.71 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 60 E 8.42 4.69 0.00 1.85 1.70 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 0.00 2.06 1.49 0.00 61 V 7.62 4.02 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 0.49 0.00 0.00 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0.00 0.00 0.00 87 D 7.68 4.87 0.00 2.75 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 3.48 0.00 1.67 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 2.14 2.36 0.00 89 L 7.63 3.85 0.00 1.69 1.62 0.93 0.97 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 90 A 7.97 4.10 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 91 L 7.56 3.41 0.00 1.03 1.46 -0.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.32 4.28 0.00 2.92 2.89 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 93 R 8.32 3.96 0.00 1.92 2.08 0.00 3.10 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 94 K 7.63 3.95 0.00 2.16 1.85 0.00 1.96 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.56 7.81 95 L 7.90 3.48 0.00 1.76 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 104 F 6.90 3.70 0.00 3.19 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 0.00 105 E 9.31 4.04 0.00 1.98 2.05 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 2.33 2.40 0.00 106 A 7.31 4.90 1.22 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 0.00 0.00 107 H 8.17 4.49 0.00 3.35 3.34 0.00 5.26 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 10.06 4.96 0.00 2.87 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 0.00 109 A 9.01 4.71 1.19 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 0.00 0.00 0.00 110 I 7.87 4.99 1.73 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.48 0.85 0.00 0.00 111 A 9.36 4.35 1.09 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 0.00 0.00 112 E 9.52 3.80 0.00 2.05 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 2.16 2.21 0.00 113 E 8.34 3.89 0.00 2.17 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 2.29 2.26 0.00 114 Q 8.00 5.04 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 115 V 8.94 4.48 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 0.93 0.00 0.00 0.96 0.00 0.00 116 Q 9.36 5.24 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 117 V 8.58 4.53 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 0.84 0.00 0.00 0.74 0.00 0.00 118 V 8.52 5.26 2.15 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 0.56 0.00 0.00 1.04 0.00 0.00 119 A 9.14 5.07 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 0.00 120 S 8.76 5.30 0.00 3.92 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 0.00 121 R 8.91 4.77 0.00 1.88 2.00 0.00 2.82 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 122 T 8.06 3.94 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 1.16 0.00 0.00 123 L 8.31 4.18 0.00 1.84 1.68 1.03 0.77 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 0.00 124 G 7.81 3.73 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 0.00 0.00 0.00 125 G 8.85 3.84 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 0.00 0.00 0.00 126 I 7.39 4.16 1.93 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 1.33 0.84 0.95 0.00 0.00 127 T 8.56 4.68 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 1.23 0.00 0.00 128 A 8.39 4.06 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 0.00 129 G 8.04 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 0.00 130 E 7.90 4.00 0.00 2.15 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 2.32 0.00 131 I 7.61 3.68 1.95 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 1.38 0.81 0.83 0.00 0.00 132 S 8.18 4.00 0.00 3.81 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 0.00 133 R 7.92 3.80 0.00 1.94 2.03 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 134 L 8.19 3.97 0.00 1.70 1.72 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 135 I 7.51 3.79 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.67 0.98 0.00 0.00 136 T 7.62 3.68 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 1.07 0.00 0.00 137 I 7.92 3.65 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.66 0.98 0.00 0.00 138 V 7.74 3.55 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 1.09 0.00 0.00 1.04 0.00 0.00 139 A 7.91 3.96 1.18 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 0.00 0.00 140 T 8.12 3.99 4.32 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 1.09 0.00 0.00 141 L 8.22 4.22 0.00 1.96 1.82 0.90 0.82 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 0.00 142 A 8.29 4.13 1.46 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 0.00 0.00 0.00 143 D 8.43 4.42 0.00 2.90 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 0.00 144 D 8.53 4.47 0.00 2.94 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 0.00 145 Y 8.49 4.35 0.00 3.45 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 0.00 146 D 8.12 4.62 0.00 3.07 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 0.00 147 D 8.11 4.33 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.44 4.04 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 0.00 149 L 8.35 4.25 0.00 1.93 1.82 0.88 0.81 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 0.00 150 R 8.05 4.01 0.00 1.99 2.03 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 151 A 8.02 4.04 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 0.00 152 E 7.83 4.19 0.00 1.85 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 1.47 1.83 0.00 153 F 8.04 4.87 0.00 3.01 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 0.00 154 K 8.11 4.21 0.00 1.90 1.67 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.61 7.81 * Residues marked with a * may have inaccurate shift predictions.