NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.9831 8.5298 119.6763 55.6206 33.2233 174.5222 2 N 4.4382 7.1392 120.3895 50.0160 41.1941 173.7389 3 I 3.5829 9.1045 120.6819 64.1589 38.1895 178.8720 4 F 4.0025 8.2660 118.2314 60.6107 38.7387 177.3581 5 E 3.9698 8.6502 118.2704 59.3149 29.1833 179.1469 6 M 3.6667 8.0110 118.5814 58.6652 32.3254 178.4534 7 L 3.9748 7.9813 119.0668 57.4929 41.6725 179.4680 8 R 3.6732 8.3571 119.2261 59.2195 29.7308 178.6691 9 I 3.7121 7.5907 118.8040 64.6440 37.2587 177.9397 10 D 4.5768 8.1669 118.2838 56.6321 40.7610 177.7720 11 E 4.4994 8.5689 117.8965 55.7881 30.7537 177.0899 12 G 3.7595 8.5691 107.9224 44.4651 0.0000 171.6875 13 L 4.8643 7.9810 119.4981 53.5239 44.4170 175.6191 14 R 4.6714 8.8861 124.6114 54.5729 34.1647 175.7864 15 L 4.6655 8.7207 121.2007 54.6523 43.0534 175.8476 16 K 5.1344 7.8216 117.9069 54.0149 35.3249 176.0697 17 I 4.2046 8.1385 123.9809 62.4137 37.6548 174.9636 18 Y 5.1038 9.0594 123.7602 55.4968 42.2254 173.7245 19 K 4.9040 8.7426 119.1553 55.0654 33.8119 177.2448 20 D 4.9059 8.7721 125.0175 52.6176 41.1540 176.9069 21 T 3.8459 8.4760 108.1099 64.5208 68.7524 174.6963 22 E 4.0394 8.2914 119.5253 56.0171 29.7657 176.7360 23 G 3.6616 8.1802 107.5458 45.4028 0.0000 172.7251 24 Y 4.8434 7.9401 117.6230 55.9200 40.4431 174.9708 25 Y 4.7904 8.2863 120.9617 58.8756 39.1887 175.2907 26 T 5.0806 8.8872 119.5126 62.5687 73.9788 172.2088 27 I 4.7531 8.7798 122.0741 60.2970 42.2199 175.7722 28 G 3.9353 9.4284 113.8807 47.2164 0.0000 176.5717 29 I 4.9952 7.7641 117.7229 59.3095 35.5514 175.0411 30 G 4.0495 8.3165 109.7379 46.6262 0.0000 171.4233 31 H 4.4040 8.3994 121.0879 54.3032 29.0396 174.1631 32 L 4.2479 8.0889 129.6494 55.1614 42.5297 176.5503 33 L 4.2267 8.7278 127.0165 56.8964 42.2276 176.8752 34 T 4.1568 7.2115 107.9244 61.7161 69.6304 172.6225 35 K 3.7269 8.2967 123.8614 55.9777 32.7524 177.2072 36 S 4.2501 7.9390 115.2528 57.6544 62.6736 172.1755 37 P 4.5024 0.0000 0.0000 63.5605 31.6483 176.3432 38 S 4.5430 8.4794 116.0576 57.3937 63.1843 173.9464 39 L 3.1978 8.6330 131.2690 58.2585 41.7204 178.5515 40 N 4.2900 8.0906 115.6531 56.1068 38.4885 177.0051 41 A 3.9481 8.1478 122.1026 55.1107 18.4108 179.5586 42 A 3.9367 7.8923 119.2720 55.2127 18.3280 180.0240 43 K 3.8498 8.3205 117.4772 59.5434 32.0992 179.5209 44 S 4.0543 8.3433 113.7121 61.4158 62.2497 175.9601 45 E 3.9701 8.3122 121.3332 59.3427 29.2029 179.1470 46 L 3.9508 8.0575 120.3816 58.3515 42.1796 178.8267 47 D 4.7017 8.3379 120.4521 56.6679 40.4930 178.6396 48 K 3.9402 7.9428 119.1475 59.4880 32.2736 178.4471 49 A 4.1261 8.1174 120.2279 54.8365 18.3785 178.9578 50 I 4.1389 7.9144 116.8116 61.2402 37.7278 177.2072 51 G 3.9286 9.9219 107.5102 45.1423 0.0000 172.6904 52 R 4.4882 7.3400 114.3563 54.3211 32.1526 173.9168 53 N 4.8869 8.5169 117.3788 53.7594 37.6263 174.1169 54 T 4.1356 9.2147 116.9091 61.3691 70.0473 174.9158 55 N 3.9673 9.2516 119.6997 54.5352 37.5945 174.4302 56 G 3.9457 8.5140 103.7627 45.1154 0.0000 172.9574 57 V 5.0396 7.4921 119.1421 60.8609 34.1672 174.5542 58 I 4.9297 8.6878 120.5441 59.2100 41.0830 174.6357 59 T 4.3697 8.7740 112.8301 60.4642 70.5577 176.0810 60 K 3.9011 8.7060 122.3915 59.8832 32.1549 178.4097 61 D 4.3752 8.0909 118.5913 57.4420 40.7692 178.5148 62 E 3.9775 8.3515 118.8650 59.3032 29.4544 179.1364 63 A 4.0711 8.3036 121.0361 55.4344 18.3610 179.6195 64 E 4.1804 8.5904 117.1997 59.1798 29.5010 179.5583 65 K 3.9853 8.2238 119.9211 59.6117 32.2640 178.8797 66 L 4.0602 8.1355 119.3084 57.7287 41.3901 179.3692 67 F 4.6388 8.5530 120.7155 61.4810 39.4212 176.6831 68 N 4.4457 8.7122 117.0106 56.9076 38.6705 176.7862 69 Q 4.0629 8.2831 119.4155 59.2046 28.8202 178.6517 70 D 4.3607 8.5475 120.2286 57.0824 40.8540 179.0420 71 V 3.5881 8.1173 119.2605 65.9196 31.4215 177.4698 72 D 4.2937 8.1144 117.5646 57.5022 40.9795 178.2084 73 A 3.9921 8.3725 121.2006 54.9056 18.2135 179.5431 74 A 3.8630 7.9796 119.4611 55.2162 18.4596 180.0112 75 V 3.2877 7.7979 116.7245 66.2297 31.6821 178.3638 76 R 3.9523 8.3480 118.3230 59.1359 29.6318 179.2631 77 G 3.5640 8.0463 104.7575 47.8283 0.0000 175.3117 78 I 3.7746 7.7634 122.8316 64.1801 36.9434 178.5460 79 L 4.0721 7.7146 117.5728 56.8299 41.5275 178.7130 80 R 4.3571 7.5660 115.7485 55.3135 30.6818 175.4266 81 N 4.7054 7.4674 119.1230 51.7707 39.8131 175.5557 82 A 3.9922 8.6407 127.9000 54.8889 18.5493 178.8178 83 K 4.1676 8.3712 116.1900 58.3256 32.5715 178.4929 84 L 4.4127 7.8964 118.3245 56.2435 42.3931 178.5338 85 K 3.9474 8.2644 119.9671 59.2205 31.9510 176.9986 86 P 4.3434 0.0000 0.0000 65.5311 31.6662 178.5439 87 V 3.9332 7.7025 117.8527 65.5696 31.6411 176.9887 88 Y 4.1147 8.3027 119.5780 61.2289 38.3936 178.2168 89 D 4.4598 8.6265 118.4751 57.0586 40.9578 178.4600 90 S 4.3171 7.7764 113.0973 59.3526 63.5182 174.4367 91 L 4.5455 6.9137 122.5660 53.4463 42.7960 176.6402 92 D 4.5386 8.2786 120.7276 53.0029 41.6063 177.1845 93 A 3.8907 8.3853 121.6514 55.2735 18.2882 180.2460 94 V 3.1076 7.5337 116.2224 66.1370 31.6587 178.4499 95 R 3.6316 8.1909 117.8611 58.8620 29.7180 179.1309 96 R 3.8500 8.1979 118.3620 59.1989 29.9128 178.8083 97 A 3.9952 7.7970 120.0781 55.1036 18.3621 179.5284 98 A 3.6487 7.3675 118.7975 55.0314 18.2323 179.6725 99 L 4.1522 7.9430 118.8938 58.3672 42.2392 179.1581 100 I 3.7309 8.1930 120.1802 64.2909 37.0409 177.7946 101 N 4.2811 8.4068 118.0127 57.0761 38.7317 176.7315 102 M 3.8863 7.9884 119.9660 58.4429 31.9184 179.0067 103 V 3.5163 7.9237 118.3254 65.7674 31.4476 177.6691 104 F 3.9440 8.5788 119.9736 61.3656 39.2580 176.7201 105 Q 4.3335 8.3122 118.0856 58.7481 29.1595 176.9274 106 M 4.6745 8.3967 113.9923 53.7247 32.7045 176.7349 107 G 4.0369 7.8170 105.7984 46.0072 0.0000 174.3309 108 E 3.8528 8.6929 120.2994 59.6039 29.5707 179.4807 109 T 3.9830 7.9393 115.3610 66.3638 68.3025 176.6286 110 G 3.7276 7.9876 106.2782 48.1017 0.0000 175.4802 111 V 3.6924 8.0463 121.2588 65.2191 31.3155 177.8617 112 A 4.2816 8.3876 120.1397 54.2779 18.2374 178.7211 113 G 3.9626 7.6121 102.4843 43.8903 0.0000 173.7031 114 F 4.2093 8.2584 122.2565 57.0696 39.8123 176.0607 *116 N 4.6602 8.7313 122.5213 53.4947 40.6005 177.0172 117 S 4.1841 8.0376 113.7605 61.4466 62.8976 176.4567 118 L 3.9222 8.2978 122.1215 57.7239 41.3691 179.5435 119 R 3.8668 7.9077 118.1304 59.7614 30.1220 178.3551 120 M 4.0119 8.0076 118.4789 58.1757 31.8526 178.8455 121 L 3.9027 8.1029 119.4808 57.8295 41.6186 179.1349 122 Q 3.9509 8.4059 119.8882 59.2741 28.7148 177.9480 123 Q 4.0814 7.7874 116.5252 55.4727 29.1546 175.8602 124 K 2.0000 7.1317 118.3612 57.1072 30.2127 177.6403 125 R 4.1116 6.9451 118.4636 54.6711 27.6896 176.3018 126 W 4.5121 7.5074 122.7032 59.7334 29.6713 177.5714 127 D 4.4650 8.1937 118.5037 57.3678 40.3523 178.4365 128 E 3.9775 8.2023 118.4532 59.2873 29.5122 179.0413 129 A 3.9777 8.4464 120.9556 55.1164 18.3407 179.4838 130 A 4.0677 8.2913 119.3172 55.3847 18.2585 179.9778 131 V 3.5088 7.6759 115.5415 66.2188 31.8880 177.4931 132 N 4.4713 8.4259 116.8513 56.6562 38.5918 176.8652 133 L 4.4189 8.4003 119.7908 57.7659 41.8396 178.8507 134 A 3.8973 7.6578 119.0910 53.0012 19.6571 178.2124 135 K 4.3192 7.5305 119.6782 54.3469 30.9686 176.7725 136 S 4.7117 7.4253 114.8139 55.7575 67.6491 175.0320 137 R 3.9491 8.7536 123.2896 59.4331 29.8331 178.3073 138 W 4.5544 8.6437 127.6863 61.0829 30.5220 177.1311 139 Y 3.4925 8.4140 119.0101 60.6576 38.0288 177.6351 140 N 4.3461 8.1374 116.2803 56.4075 38.7201 176.9867 141 Q 4.2868 8.3440 118.9207 57.1625 30.5810 176.5004 142 T 4.5728 7.7252 109.3377 58.5903 68.5979 172.6095 143 P 3.5835 0.0000 0.0000 65.7515 31.9821 178.5051 144 N 4.1690 7.7731 115.8000 55.9400 38.5585 177.2364 145 R 3.8382 7.7451 119.3716 59.3844 30.3528 178.2119 146 A 3.4783 7.7466 120.7001 54.8262 18.0324 179.7135 147 K 4.0504 8.1937 117.4093 59.6791 32.2058 179.7815 148 R 3.8090 7.8184 117.9943 59.1931 29.9434 179.3480 149 V 3.7717 8.0951 118.0570 66.1314 31.6286 178.1737 150 I 4.1414 8.5839 120.0378 64.8730 36.8959 178.5297 151 T 4.0561 8.4215 116.9694 66.9005 68.1195 176.8615 152 T 3.8649 7.8060 117.4842 66.6104 68.2165 176.8528 153 F 4.1511 7.9330 118.7125 60.4406 38.9810 177.4655 154 R 4.1862 8.5005 118.3022 59.0424 30.0250 177.7808 155 T 4.2988 7.9596 107.6716 60.5915 69.8275 175.3032 156 G 3.5057 7.8627 109.1051 46.1527 0.0000 172.8038 157 T 4.4477 7.3513 108.2371 59.3777 71.8717 173.2388 158 W 5.0409 8.3573 118.0409 56.8410 29.0907 178.5078 159 D 4.4396 8.1882 122.1277 57.3801 40.3065 178.5835 160 A 4.1406 8.1310 120.0867 53.9521 18.9211 177.2086 161 Y 4.4686 8.2403 112.4399 57.3372 39.1432 175.8922 162 K 4.1599 7.6079 120.6017 57.7032 32.6894 176.1851 163 N 4.2835 8.8444 120.3021 53.8307 36.3497 174.3938 164 L 4.3109 7.7448 123.6745 54.8556 41.9306 176.2269 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 M 8.53 3.98 0.00 0.51 1.43 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 2 N 7.14 4.44 0.00 3.11 2.82 0.00 0.00 5.74 6.69 0.00 0.00 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 I 9.10 3.58 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.69 0.00 0.00 4 F 8.27 4.00 0.00 3.30 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 5 E 8.65 3.97 0.00 1.89 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 0.00 2.30 2.42 0.00 6 M 8.01 3.67 0.00 1.98 1.62 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.20 0.00 7 L 7.98 3.97 0.00 1.88 1.48 0.39 0.35 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 8 R 8.36 3.67 0.00 1.91 2.16 0.00 2.98 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 9 I 7.59 3.71 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 1.06 0.00 0.00 10 D 8.17 4.58 0.00 2.74 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 11 E 8.57 4.50 0.00 1.90 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 0.00 2.36 2.44 0.00 12 G 8.57 3.76 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 0.00 0.00 0.00 13 L 7.98 4.86 0.00 1.45 1.45 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.89 4.67 0.00 1.54 1.61 0.00 2.68 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.24 0.00 15 L 8.72 4.67 0.00 1.61 1.90 0.97 1.07 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 16 K 7.82 5.13 0.00 1.66 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.46 7.81 17 I 8.14 4.20 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.88 0.00 0.00 18 Y 9.06 5.10 0.00 3.05 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 19 K 8.74 4.90 0.00 1.66 1.57 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.31 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.90 1.41 7.81 20 D 8.77 4.91 0.00 2.93 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 21 T 8.48 3.85 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 1.27 0.00 0.00 22 E 8.29 4.04 0.00 1.73 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 2.28 2.32 0.00 23 G 8.18 3.66 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 0.00 0.00 0.00 24 Y 7.94 4.84 0.00 3.16 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 25 Y 8.29 4.79 0.00 2.97 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 26 T 8.89 5.08 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 1.11 0.00 0.00 27 I 8.78 4.75 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.51 0.99 0.00 0.00 28 G 9.43 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 29 I 7.76 5.00 1.29 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.57 -0.05 0.00 0.00 30 G 8.32 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 31 H 8.40 4.40 0.00 3.35 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.09 4.25 0.00 1.56 1.42 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.73 4.23 0.00 1.86 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.21 4.16 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 1.38 0.00 0.00 35 K 8.30 3.73 0.00 1.45 1.18 0.00 1.51 0.00 0.00 1.08 0.00 0.00 2.47 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.93 7.81 36 S 7.94 4.25 0.00 3.83 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 37 P 0.00 4.50 0.00 2.28 2.19 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 38 S 8.48 4.54 0.00 3.94 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 39 L 8.63 3.20 0.00 1.59 1.54 0.29 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.09 4.29 0.00 2.75 2.83 0.00 0.00 7.02 7.60 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 41 A 8.15 3.95 1.37 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 42 A 7.89 3.94 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 43 K 8.32 3.85 0.00 1.84 1.83 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 44 S 8.34 4.05 0.00 3.85 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 45 E 8.31 3.97 0.00 2.19 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 2.51 2.59 0.00 46 L 8.06 3.95 0.00 1.82 1.83 0.94 1.29 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 47 D 8.34 4.70 0.00 2.84 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 48 K 7.94 3.94 0.00 1.76 2.09 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 49 A 8.12 4.13 1.37 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 50 I 7.91 4.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.90 0.92 0.00 0.00 51 G 9.92 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 52 R 7.34 4.49 0.00 1.95 2.00 0.00 2.97 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 53 N 8.52 4.89 0.00 2.68 2.81 0.00 0.00 6.95 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 54 T 9.21 4.14 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 1.27 0.00 0.00 55 N 9.25 3.97 0.00 2.76 2.83 0.00 0.00 7.10 7.98 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 56 G 8.51 3.95 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 0.00 0.00 0.00 57 V 7.49 5.04 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 0.89 0.00 0.00 0.94 0.00 0.00 58 I 8.69 4.93 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.93 0.00 0.00 59 T 8.77 4.37 4.25 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 1.22 0.00 0.00 60 K 8.71 3.90 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.09 4.38 0.00 2.77 2.72 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 0.00 0.00 0.00 62 E 8.35 3.98 0.00 2.29 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 2.34 2.34 0.00 63 A 8.30 4.07 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 64 E 8.59 4.18 0.00 2.23 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 2.46 2.48 0.00 65 K 8.22 3.99 0.00 1.94 1.99 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.14 4.06 0.00 1.95 1.67 0.77 0.79 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 67 F 8.55 4.64 0.00 3.23 3.41 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 68 N 8.71 4.45 0.00 2.96 2.99 0.00 0.00 7.27 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 69 Q 8.28 4.06 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 70 D 8.55 4.36 0.00 3.16 2.65 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 0.00 0.00 0.00 0.00 71 V 8.12 3.59 1.59 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 0.42 0.00 0.00 0.05 0.00 0.00 72 D 8.11 4.29 0.00 2.93 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 73 A 8.37 3.99 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 74 A 7.98 3.86 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.80 3.29 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 0.91 0.00 0.00 0.91 0.00 0.00 76 R 8.35 3.95 0.00 1.89 1.93 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 77 G 8.05 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 78 I 7.76 3.77 1.64 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.48 0.00 0.00 79 L 7.71 4.07 0.00 1.54 1.69 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 80 R 7.57 4.36 0.00 1.76 1.94 0.00 3.12 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 81 N 7.47 4.71 0.00 2.96 2.77 0.00 0.00 6.96 8.23 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 82 A 8.64 3.99 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 83 K 8.37 4.17 0.00 1.83 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.62 7.81 84 L 7.90 4.41 0.00 1.66 1.70 0.95 1.04 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 85 K 8.26 3.95 0.00 1.99 1.83 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.55 7.81 86 P 0.00 4.34 0.00 2.08 2.12 0.00 3.70 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 2.11 2.16 0.00 87 V 7.70 3.93 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 1.22 0.00 0.00 1.02 0.00 0.00 88 Y 8.30 4.11 0.00 3.13 3.16 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 89 D 8.63 4.46 0.00 2.78 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 90 S 7.78 4.32 0.00 4.09 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 91 L 6.91 4.55 0.00 1.68 1.59 1.13 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.28 4.54 0.00 2.85 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 93 A 8.39 3.89 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 94 V 7.53 3.11 1.78 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 -0.22 0.00 0.00 0.59 0.00 0.00 95 R 8.19 3.63 0.00 1.85 2.03 0.00 2.66 0.00 0.00 2.62 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 96 R 8.20 3.85 0.00 1.84 1.79 0.00 2.82 0.00 0.00 2.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.47 0.00 97 A 7.80 4.00 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 98 A 7.37 3.65 0.02 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 99 L 7.94 4.15 0.00 2.14 2.06 1.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.19 3.73 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.89 0.00 0.00 101 N 8.41 4.28 0.00 2.86 3.02 0.00 0.00 7.23 8.43 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 0.00 102 M 7.99 3.89 0.00 1.64 2.10 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 1.89 0.00 103 V 7.92 3.52 2.19 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 1.05 0.00 0.00 0.95 0.00 0.00 104 F 8.58 3.94 0.00 3.14 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 0.00 105 Q 8.31 4.33 0.00 2.34 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 106 M 8.40 4.67 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 107 G 7.82 4.04 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 0.00 0.00 0.00 108 E 8.69 3.85 0.00 2.01 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 2.35 2.37 0.00 109 T 7.94 3.98 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 1.22 0.00 0.00 110 G 7.99 3.73 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 120 M 8.01 4.01 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 121 L 8.10 3.90 0.00 1.80 1.79 0.30 1.09 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 0.00 122 Q 8.41 3.95 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 123 Q 7.79 4.08 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 124 K 7.13 2.00 0.00 1.48 1.13 0.00 1.69 0.00 0.00 1.96 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.03 1.17 7.81 125 R 6.95 4.11 0.00 1.68 1.75 0.00 3.02 0.00 0.00 3.25 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 126 W 7.51 4.51 0.00 3.36 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 0.00 127 D 8.19 4.46 0.00 2.82 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 0.00 128 E 8.20 3.98 0.00 2.13 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 2.39 2.37 0.00 129 A 8.45 3.98 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 0.00 130 A 8.29 4.07 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 0.00 131 V 7.68 3.51 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 0.81 0.00 0.00 0.94 0.00 0.00 132 N 8.43 4.47 0.00 2.90 2.95 0.00 0.00 7.25 6.18 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 0.00 133 L 8.40 4.42 0.00 2.00 2.23 0.93 0.84 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 0.00 134 A 7.66 3.90 0.64 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 0.00 0.00 135 K 7.53 4.32 0.00 1.92 1.77 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.48 7.81 136 S 7.43 4.71 0.00 4.27 4.07 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 0.00 137 R 8.75 3.95 0.00 1.97 2.11 0.00 3.27 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 138 W 8.64 4.55 0.00 3.67 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 0.00 139 Y 8.41 3.49 0.00 3.04 3.16 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 0.00 140 N 8.14 4.35 0.00 2.93 2.91 0.00 0.00 7.11 7.75 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 0.00 141 Q 8.34 4.29 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.24 0.00 0.00 0.00 0.00 0.00 2.67 2.56 0.00 142 T 7.73 4.57 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 1.25 0.00 0.00 143 P 0.00 3.58 0.00 1.84 1.74 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.69 0.00 144 N 7.77 4.17 0.00 2.69 2.81 0.00 0.00 6.79 7.66 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 0.00 145 R 7.75 3.84 0.00 1.89 1.91 0.00 3.34 0.00 0.00 3.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 146 A 7.75 3.48 0.10 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 0.00 147 K 8.19 4.05 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.62 1.58 7.81 148 R 7.82 3.81 0.00 1.99 1.49 0.00 2.21 0.00 0.00 2.73 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.64 0.00 149 V 8.10 3.77 2.69 0.00 0.00 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 1.30 0.00 0.00 150 I 8.58 4.14 2.08 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 1.93 0.85 1.11 0.00 0.00 151 T 8.42 4.06 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 1.22 0.00 0.00 152 T 7.81 3.86 4.16 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 0.69 0.00 0.00 153 F 7.93 4.15 0.00 3.28 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 0.00 154 R 8.50 4.19 0.00 1.94 2.12 0.00 3.40 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 155 T 7.96 4.30 4.16 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 1.22 0.00 0.00 156 G 7.86 3.51 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 0.00 0.00 0.00 157 T 7.35 4.45 4.29 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 1.19 0.00 0.00 158 W 8.36 5.04 0.00 3.46 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 0.00 159 D 8.19 4.44 0.00 2.81 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 0.00 160 A 8.13 4.14 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 0.00 0.00 0.00 0.00 0.00 161 Y 8.24 4.47 0.00 3.18 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 0.00 162 K 7.61 4.16 0.00 1.85 1.76 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.45 7.81 163 N 8.84 4.28 0.00 2.92 2.92 0.00 0.00 6.87 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 0.00 164 L 7.74 4.31 0.00 1.89 1.58 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.