NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 E 4.4857 8.3033 118.6745 56.7536 31.6312 174.2348 1 M 5.3141 8.6211 124.1372 52.3817 36.3020 173.6676 2 R 4.7132 9.0151 119.7052 54.6157 35.5001 173.6938 3 I 4.8800 8.4212 122.6221 59.5720 40.9260 174.2590 4 G 4.6266 8.9074 113.7889 45.1987 0.0000 170.6713 5 H 5.5228 8.7176 118.7175 54.3393 33.6365 172.1990 6 G 4.4189 9.0458 111.4988 44.6737 0.0000 171.0226 7 F 5.6044 8.5057 121.8455 56.7873 42.5280 172.8570 8 D 4.5504 8.1064 123.7452 52.7584 45.2449 173.8648 9 V 4.5464 7.8157 121.3537 61.4752 34.7670 173.9933 10 H 4.9219 8.8708 123.5300 53.8019 32.7108 172.4719 11 A 4.6384 8.3937 123.9211 50.9112 20.0795 177.0014 12 F 4.9729 8.9131 121.8036 57.8371 39.7637 175.2136 13 G 3.9381 9.2287 108.3874 47.2677 0.0000 175.4515 14 G 3.8748 8.2701 111.7745 46.2492 0.0000 172.7578 15 E 4.9949 8.3393 117.1640 54.3630 34.1119 172.6144 16 G 4.1236 8.6614 106.5226 45.3654 0.0000 171.3505 17 P 4.9907 0.0000 0.0000 62.2963 32.8187 175.7090 18 I 4.4833 8.3302 113.7273 59.8757 40.4404 174.5200 19 I 5.0035 8.1834 123.6303 59.7463 39.8456 174.8531 20 I 4.8475 8.6295 127.8248 60.6808 40.5112 175.8788 21 G 4.0856 10.0030 113.3558 46.6033 0.0000 175.1099 22 G 4.0282 8.8313 107.1695 45.0830 0.0000 174.2404 23 V 4.4404 7.7042 120.8985 61.4195 33.4170 175.0116 24 R 4.6287 8.7163 127.2060 56.0643 30.9736 175.7002 25 I 4.3849 8.8491 125.7773 58.4458 39.8021 173.5757 26 P 4.6410 0.0000 0.0000 63.3955 31.5386 175.0102 27 Y 4.9659 8.3159 123.5825 56.6058 41.8784 175.2088 28 E 3.8064 7.3581 122.3377 58.2612 29.8273 176.8651 29 K 4.7209 6.8461 115.9217 54.6198 36.8438 175.9345 30 G 4.2438 8.2090 108.3870 44.4843 0.0000 172.0161 31 L 5.2405 8.2998 119.5696 52.5840 43.6058 177.0318 32 L 4.2799 8.4714 124.6833 54.8365 41.8436 176.8892 33 A 4.4837 8.7925 125.8233 51.9405 21.8906 177.1824 *34 H 4.2686 8.9712 118.1250 57.1130 28.3655 175.4232 35 S 5.0758 7.0966 114.7034 56.9696 64.7917 173.5098 36 D 4.4234 8.7103 119.1978 54.0949 39.6459 176.8193 37 G 3.4062 7.6010 106.7001 46.6942 0.0000 175.1893 38 D 5.1678 7.5702 121.8028 52.8312 39.3437 176.6623 39 V 3.9629 8.1990 120.1554 63.1850 31.8191 177.6539 40 A 3.9290 7.8515 119.9564 55.3231 18.3303 179.6431 41 L 3.9948 8.2396 117.4081 57.9456 41.5845 179.6098 42 H 4.2437 8.3774 116.2485 58.8936 28.7702 177.7100 43 A 3.9839 8.0394 122.6227 54.9145 18.1927 179.4696 44 L 3.8803 8.0876 118.9459 58.5423 42.1033 179.1856 45 T 3.9310 8.1975 115.9842 66.9994 68.3648 176.2563 46 D 4.3372 8.3431 120.3989 57.2708 40.7744 178.7938 47 A 4.2336 7.7974 122.5751 54.4945 18.4834 179.7811 48 L 3.9803 8.0727 117.5308 58.0266 41.7008 179.7100 49 L 4.1404 8.3515 119.3724 57.6042 41.4965 179.8997 50 G 3.5358 8.4372 105.9782 47.8039 0.0000 175.7223 51 A 4.5171 8.2036 123.3625 53.8832 18.4330 178.6234 52 A 3.7957 7.5671 116.0819 51.0918 19.2640 176.8751 53 A 3.7210 7.5480 119.7339 53.5645 16.7283 177.7850 54 L 4.5709 8.2045 117.6140 55.2587 44.1704 177.0638 55 G 4.0120 9.7299 108.8027 43.8637 0.0000 176.4618 56 D 4.6337 8.7148 125.1269 50.9682 43.3723 175.2520 57 I 3.7669 9.0284 114.3313 64.3296 37.0934 178.5445 58 G 3.5709 8.0500 105.9598 47.0631 0.0000 175.1427 59 K 4.0358 7.9807 121.0532 59.5035 32.3647 178.7338 60 L 3.7956 7.1260 117.2725 56.2311 42.6842 177.5486 61 F 4.2388 7.5450 115.5252 54.6796 39.6564 173.1265 62 P 4.4770 0.0000 0.0000 62.7649 32.4205 177.8627 63 D 4.4454 9.1122 122.2453 58.3303 40.7292 178.3466 64 T 3.7199 7.6280 113.3085 66.9311 69.1419 173.2056 65 D 4.4172 8.3705 124.3177 53.6447 41.4004 175.2676 66 P 4.2198 0.0000 0.0000 65.4672 31.5454 178.5097 67 A 3.7705 8.3354 120.6520 54.4173 18.3364 178.0324 68 F 4.8503 7.7018 114.7495 57.5676 39.5278 176.3214 69 K 4.1938 7.7551 124.0927 56.0270 31.5775 182.2043 70 G 3.9630 9.0244 111.8004 44.2746 0.0000 173.4347 71 A 4.1633 7.8652 123.2507 52.0982 19.0511 178.0123 72 D 4.7512 8.9231 122.7153 52.3834 42.4946 178.1905 73 S 4.1911 8.5473 115.2065 61.5486 62.6534 177.3053 74 R 3.9353 7.9622 120.6073 58.9950 29.8385 178.6544 75 E 3.9543 8.7376 118.9451 59.2179 29.3424 179.3214 76 L 3.4160 7.8158 119.0872 57.3796 41.5499 179.2078 77 L 4.0077 8.0326 120.3500 58.4407 41.9846 179.3718 78 R 4.0657 8.1739 117.9719 59.1213 29.9463 178.7348 79 E 4.0003 8.3700 119.1440 59.1465 29.6915 178.6045 80 A 4.1445 8.5565 121.2091 55.1146 18.4030 179.4734 81 W 4.3954 8.6800 127.0847 60.5425 30.7976 178.1299 82 R 3.7383 8.3920 118.9624 59.6272 29.2922 178.8053 83 R 3.9727 7.8433 116.6845 59.0503 30.3527 178.8318 84 I 3.8955 7.7268 119.8742 64.4173 37.0087 178.4682 85 Q 3.9418 7.9779 120.2239 58.2187 28.2287 178.6618 86 A 3.9321 7.7334 120.6668 54.5415 18.4579 178.9599 87 K 4.1449 7.4405 114.5891 56.8101 32.4142 177.7693 88 G 3.8039 7.9376 107.6621 44.9722 0.0000 173.4353 89 Y 4.9219 7.4507 117.2231 57.2632 40.3191 174.1837 90 T 4.8291 9.0087 115.7305 60.1296 71.8252 172.1516 91 L 4.2865 8.9186 126.6944 55.1822 42.3611 175.3350 92 G 3.9487 9.1992 115.6857 46.8565 0.0000 173.4607 93 N 5.1478 7.7531 113.4739 51.4881 41.6237 173.8415 94 V 4.9606 8.7190 111.8521 59.8560 36.5672 174.3862 95 D 5.1732 9.0316 121.7742 52.8357 44.9451 174.1839 96 V 4.8472 8.7484 124.8816 61.4066 35.3951 174.3320 97 T 4.9597 9.4269 123.8461 61.7955 71.6612 173.1063 98 I 4.3854 8.8116 128.9464 60.8989 38.8683 175.5415 99 I 4.9086 8.8081 127.5507 59.9851 39.3686 174.4488 100 A 4.6303 8.6002 128.0124 50.8476 21.8363 176.1213 101 Q 3.9641 9.0276 123.8688 58.8790 29.5633 175.7483 102 A 4.4256 7.2845 116.8950 50.3267 21.7433 173.5358 103 P 4.4427 0.0000 0.0000 61.4186 32.5164 175.9082 104 K 4.0941 8.3171 119.8732 56.7984 32.6664 176.1911 105 M 4.3059 8.5714 125.0708 57.3614 33.0446 178.1696 106 L 3.9368 7.9274 120.0624 57.4323 41.9578 176.9169 107 P 4.2880 0.0000 0.0000 65.1047 31.5967 176.9730 108 H 4.6719 8.3407 115.1986 56.1597 29.3634 176.9585 109 I 3.6796 7.3046 122.7255 63.8477 36.8204 176.1258 110 P 4.1672 0.0000 0.0000 65.9072 31.1217 178.3785 111 Q 3.6566 7.8329 117.5434 59.0015 28.9887 177.7794 112 M 4.3265 7.6297 121.1204 57.9489 32.0066 178.9111 113 R 3.9172 8.0203 118.1812 59.0411 30.1445 179.4104 114 V 3.5418 7.4085 118.0229 65.9826 31.5446 178.0014 115 F 4.5899 7.7649 117.5596 60.9381 38.7742 177.8329 116 I 3.7346 7.9718 119.0832 64.2380 36.9031 178.3919 117 A 3.9165 8.1303 121.6594 55.0123 18.1058 179.3822 118 E 3.9135 8.6251 117.4975 59.9759 29.4434 179.5532 119 D 4.4554 8.4045 117.4009 56.4037 40.9076 177.8064 120 L 3.7952 7.5414 116.8264 52.8004 42.2604 176.3635 121 G 4.0274 7.7770 106.8129 46.6870 0.0000 172.9776 122 C 4.7898 7.6698 113.1865 55.6322 32.6115 172.8589 123 H 4.6081 8.2192 116.6068 55.4632 29.1505 176.9020 124 M 3.9690 8.7520 122.1205 58.7223 31.9089 178.0738 125 D 4.4825 8.0492 115.7999 56.0972 41.6176 175.9247 126 D 4.6765 8.2722 118.0946 54.9422 41.3149 175.5395 127 V 4.6134 7.7632 119.8016 60.9056 34.1692 174.1737 128 N 5.0606 8.9010 125.6225 51.7511 42.0382 172.9949 129 V 5.0661 8.4469 125.0030 61.0799 34.8147 174.1355 130 K 4.8422 9.0249 124.9173 55.6236 36.6955 174.3513 131 A 5.2695 8.3013 120.2200 51.0034 22.4372 175.1950 132 T 4.6824 8.8452 113.0043 61.1981 71.4150 173.2117 133 T 4.9454 8.4070 117.1382 60.3331 71.4927 174.0950 134 T 4.4754 8.0774 108.7977 61.3630 69.2624 174.0277 135 E 3.8122 8.7453 117.7752 58.5610 27.5056 175.9823 136 K 4.2562 8.4883 113.8432 57.1986 31.0390 176.5670 137 L 4.4776 7.9631 119.9877 54.0883 43.5758 177.7892 138 G 4.2593 8.4969 110.5213 44.9044 0.0000 174.0951 139 F 4.4566 8.4954 113.1326 60.1241 37.6195 177.4989 140 T 4.1775 6.1803 111.4178 64.0180 68.6350 176.8522 141 G 3.6318 7.8981 108.1251 47.1583 0.0000 175.0881 142 R 4.4706 7.9938 117.8014 56.0390 30.3019 176.9957 143 G 4.1291 7.9305 106.9854 46.6008 0.0000 174.8443 144 E 4.4083 8.5987 121.9809 58.1531 29.7273 176.4684 145 G 3.8174 7.4305 105.5197 44.9598 0.0000 171.3913 146 I 4.7509 8.0103 118.7208 59.3202 41.2558 174.9379 147 A 5.0457 8.6839 125.5718 50.6921 23.3301 174.2954 148 C 5.0979 8.2358 117.0912 58.5763 35.4391 172.5997 149 E 5.5430 9.5510 124.5732 54.8724 33.0708 174.7655 150 A 5.1837 8.7370 122.3686 50.8776 23.2438 175.6620 151 V 5.0835 9.0351 112.6730 59.8052 36.4081 174.6446 152 A 5.0936 8.8197 122.8257 50.5039 23.3383 174.9366 153 L 5.1291 8.9808 122.1510 53.3904 45.0098 175.6258 154 L 5.2704 8.8366 126.1544 53.4008 44.6353 175.4772 155 I 5.1687 9.1165 124.1453 60.1473 40.7236 176.7665 156 K 4.2909 8.6888 127.6948 55.3965 32.0843 175.6857 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 E 8.30 4.49 0.00 1.68 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 2.21 1.92 0.00 1 M 8.62 5.31 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 2 R 9.02 4.71 0.00 1.58 1.78 0.00 3.32 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 3 I 8.42 4.88 1.88 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 1.29 1.45 0.91 0.00 0.00 4 G 8.91 4.63 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 0.00 0.00 0.00 5 H 8.72 5.52 0.00 3.17 3.10 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.05 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 0.00 0.00 0.00 0.00 7 F 8.51 5.60 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.11 4.55 0.00 2.68 2.36 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 9 V 7.82 4.55 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.81 0.00 0.00 10 H 8.87 4.92 0.00 3.00 3.06 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.39 4.64 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 12 F 8.91 4.97 0.00 3.04 2.95 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 13 G 9.23 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 14 G 8.27 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 0.00 0.00 0.00 15 E 8.34 4.99 0.00 1.63 1.79 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 2.20 1.84 0.00 16 G 8.66 4.12 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 0.00 17 P 0.00 4.99 0.00 2.12 2.10 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 18 I 8.33 4.48 1.97 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 1.20 0.00 0.00 19 I 8.18 5.00 1.85 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 1.35 1.03 1.02 0.00 0.00 20 I 8.63 4.85 1.85 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 1.21 0.96 0.88 0.00 0.00 21 G 10.00 4.09 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 0.00 22 G 8.83 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 23 V 7.70 4.44 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 1.09 0.00 0.00 1.05 0.00 0.00 24 R 8.72 4.63 0.00 1.78 1.89 0.00 3.23 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 25 I 8.85 4.38 1.80 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 0.66 0.96 0.78 0.00 0.00 26 P 0.00 4.64 0.00 1.99 2.05 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 27 Y 8.32 4.97 0.00 2.95 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 28 E 7.36 3.81 0.00 1.52 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 1.47 1.95 0.00 29 K 6.85 4.72 0.00 1.48 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.04 0.78 7.81 30 G 8.21 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 0.00 0.00 0.00 0.00 31 L 8.30 5.24 0.00 1.53 1.57 0.92 0.76 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 32 L 8.47 4.28 0.00 1.68 1.64 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.79 4.48 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 *34 H 8.97 4.27 0.00 2.94 3.05 0.00 7.17 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.10 5.08 0.00 4.12 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 36 D 8.71 4.42 0.00 2.78 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 37 G 7.60 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 0.00 0.00 0.00 38 D 7.57 5.17 0.00 2.78 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 39 V 8.20 3.96 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 1.09 0.00 0.00 0.86 0.00 0.00 40 A 7.85 3.93 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 41 L 8.24 3.99 0.00 1.71 1.74 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.38 4.24 0.00 3.41 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.04 3.98 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 44 L 8.09 3.88 0.00 1.81 1.90 0.88 0.67 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 45 T 8.20 3.93 4.45 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 1.33 0.00 0.00 46 D 8.34 4.34 0.00 2.83 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 47 A 7.80 4.23 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 48 L 8.07 3.98 0.00 1.96 1.90 0.86 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.35 4.14 0.00 1.67 1.69 0.89 1.15 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 50 G 8.44 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.20 4.52 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 52 A 7.57 3.80 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 53 A 7.55 3.72 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 54 L 8.20 4.57 0.00 1.59 1.64 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.73 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.71 4.63 0.00 3.09 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 57 I 9.03 3.77 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.70 1.02 0.00 0.00 58 G 8.05 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.98 4.04 0.00 1.83 1.87 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.43 7.81 60 L 7.13 3.80 0.00 0.49 0.13 0.74 0.30 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 61 F 7.54 4.24 0.00 2.80 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 0.00 0.00 0.00 0.00 62 P 0.00 4.48 0.00 2.29 2.04 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 63 D 9.11 4.45 0.00 2.70 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 64 T 7.63 3.72 4.30 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 1.25 0.00 0.00 65 D 8.37 4.42 0.00 2.83 3.02 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 66 P 0.00 4.22 0.00 2.15 2.07 0.00 3.63 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 67 A 8.34 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.70 4.85 0.00 3.19 2.95 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 69 K 7.76 4.19 0.00 1.79 1.62 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.27 7.81 70 G 9.02 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 71 A 7.87 4.16 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 72 D 8.92 4.75 0.00 3.07 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 73 S 8.55 4.19 0.00 3.88 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 74 R 7.96 3.94 0.00 1.89 1.97 0.00 2.89 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 75 E 8.74 3.95 0.00 2.09 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 2.29 2.39 0.00 76 L 7.82 3.42 0.00 1.70 1.41 0.74 -0.82 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 77 L 8.03 4.01 0.00 1.87 1.88 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.17 4.07 0.00 1.94 2.04 0.00 3.21 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 79 E 8.37 4.00 0.00 2.21 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 2.51 2.73 0.00 80 A 8.56 4.14 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.68 4.40 0.00 3.51 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 82 R 8.39 3.74 0.00 2.05 2.13 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 83 R 7.84 3.97 0.00 1.98 1.96 0.00 3.18 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 84 I 7.73 3.90 1.76 0.00 0.00 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 1.54 1.08 0.86 0.00 0.00 85 Q 7.98 3.94 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 86 A 7.73 3.93 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 87 K 7.44 4.14 0.00 2.06 1.93 0.00 1.75 0.00 0.00 1.97 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.46 7.81 88 G 7.94 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.45 4.92 0.00 2.82 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 90 T 9.01 4.83 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 1.39 0.00 0.00 91 L 8.92 4.29 0.00 1.63 1.57 0.64 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.20 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 93 N 7.75 5.15 0.00 2.88 2.89 0.00 0.00 5.72 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 94 V 8.72 4.96 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 0.77 0.00 0.00 0.92 0.00 0.00 95 D 9.03 5.17 0.00 2.73 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.85 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 0.91 0.00 0.00 0.91 0.00 0.00 97 T 9.43 4.96 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 1.22 0.00 0.00 98 I 8.81 4.39 1.85 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 1.20 0.59 0.88 0.00 0.00 99 I 8.81 4.91 1.87 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.94 0.86 0.00 0.00 100 A 8.60 4.63 1.14 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 0.00 0.00 101 Q 9.03 3.96 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 102 A 7.28 4.43 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 0.00 103 P 0.00 4.44 0.00 2.12 2.01 0.00 3.46 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 104 K 8.32 4.09 0.00 1.74 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.46 7.81 105 M 8.57 4.31 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 106 L 7.93 3.94 0.00 1.74 1.65 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.29 0.00 2.05 2.09 0.00 3.76 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 1.94 2.02 0.00 108 H 8.34 4.67 0.00 3.34 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.30 3.68 2.03 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 1.51 0.86 0.93 0.00 0.00 110 P 0.00 4.17 0.00 2.07 2.05 0.00 3.47 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 111 Q 7.83 3.66 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.10 1.37 0.00 112 M 7.63 4.33 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.75 0.00 113 R 8.02 3.92 0.00 1.98 1.93 0.00 3.09 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 114 V 7.41 3.54 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 1.03 0.00 0.00 0.90 0.00 0.00 115 F 7.76 4.59 0.00 3.21 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 0.00 116 I 7.97 3.73 1.85 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 1.45 0.78 0.83 0.00 0.00 117 A 8.13 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.63 3.91 0.00 2.24 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 2.39 2.59 0.00 119 D 8.40 4.46 0.00 2.75 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 0.00 120 L 7.54 3.80 0.00 1.33 0.89 0.55 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.78 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 0.00 122 C 7.67 4.79 0.00 3.19 2.83 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 0.00 123 H 8.22 4.61 0.00 3.29 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.75 3.97 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 125 D 8.05 4.48 0.00 2.63 2.70 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 0.00 0.00 0.00 126 D 8.27 4.68 0.00 2.87 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 0.00 127 V 7.76 4.61 2.17 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 0.70 0.00 0.00 0.87 0.00 0.00 128 N 8.90 5.06 0.00 2.86 2.76 0.00 0.00 6.17 7.04 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 0.00 129 V 8.45 5.07 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.02 4.84 0.00 1.80 1.84 0.00 1.30 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.38 7.81 131 A 8.30 5.27 1.17 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 0.00 0.00 132 T 8.85 4.68 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 1.25 0.00 0.00 133 T 8.41 4.95 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 1.26 0.00 0.00 134 T 8.08 4.48 4.18 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 1.12 0.00 0.00 135 E 8.75 3.81 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 2.24 2.39 0.00 136 K 8.49 4.26 0.00 1.94 2.01 0.00 1.86 0.00 0.00 1.57 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.51 7.81 137 L 7.96 4.48 0.00 1.73 1.55 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.50 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 0.00 0.00 0.00 0.00 139 F 8.50 4.46 0.00 3.41 3.36 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 0.00 140 T 6.18 4.18 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 0.68 0.00 0.00 141 G 7.90 3.63 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 0.00 0.00 0.00 142 R 7.99 4.47 0.00 1.90 2.06 0.00 3.28 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 143 G 7.93 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 0.00 144 E 8.60 4.41 0.00 2.45 2.14 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 2.42 2.39 0.00 145 G 7.43 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 0.00 0.00 0.00 146 I 8.01 4.75 1.65 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 1.08 0.41 0.83 0.00 0.00 147 A 8.68 5.05 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 0.00 148 C 8.24 5.10 0.00 2.93 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 0.00 149 E 9.55 5.54 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.41 0.00 150 A 8.74 5.18 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 0.00 151 V 9.04 5.08 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 0.75 0.00 0.00 0.94 0.00 0.00 152 A 8.82 5.09 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 0.00 153 L 8.98 5.13 0.00 1.73 1.51 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.84 5.27 0.00 1.50 1.56 0.56 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 155 I 9.12 5.17 1.98 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 1.15 0.94 1.02 0.00 0.00 156 K 8.69 4.29 0.00 1.51 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.