NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9404 8.3549 108.0222 46.3961 0.0000 172.9060 4 M 4.5130 8.7575 125.4899 52.8367 34.5354 173.6488 5 R 4.4658 8.5988 123.8211 56.0821 32.3714 174.7930 6 V 4.8177 8.4084 125.6926 61.3899 34.7341 173.6446 7 Y 4.9450 9.0416 126.7940 57.3659 39.4158 174.6785 8 L 5.3321 9.2682 124.2240 52.9764 45.3834 175.8384 9 G 4.6515 8.8272 108.6210 44.8728 0.0000 171.2136 10 A 5.1426 8.7608 121.4700 51.9025 23.5999 176.6800 11 D 4.5916 8.4276 120.7929 52.1169 42.1362 176.1302 12 H 3.9632 9.0365 113.5612 59.1667 28.1656 177.3834 13 A 4.0713 7.8453 121.7818 54.0005 18.4336 178.6741 14 G 4.0446 8.0850 100.3809 44.6990 0.0000 174.8015 15 Y 4.0568 7.6861 123.2356 60.8264 38.9886 177.9966 16 E 3.8789 8.2862 119.0019 59.2421 29.5971 178.9459 17 L 3.9386 7.8225 119.9895 57.8249 42.1379 178.6382 18 K 3.8248 8.1478 119.7931 59.6607 32.1398 178.7776 19 Q 3.8253 7.6579 118.0003 58.9880 28.5785 179.0466 20 R 3.9283 7.7810 118.6243 59.2707 30.0093 179.2230 21 I 3.8051 8.0025 119.8546 64.2016 37.0473 178.5315 22 I 3.6913 7.9842 121.0504 64.3484 36.9441 178.0848 23 E 3.9242 8.1120 120.0935 59.4879 29.5842 178.3712 24 H 4.1768 8.3124 118.3575 59.2135 29.8630 177.3267 25 L 4.1323 8.2926 122.6300 57.0484 41.2996 179.4895 26 K 3.9068 8.0286 118.5123 59.7960 31.8231 179.4622 27 Q 4.0433 8.0052 117.0644 58.2234 28.7458 177.7483 28 T 4.4618 7.7348 109.2009 61.2400 68.8652 175.8395 29 G 3.7955 7.7506 108.4940 46.1370 0.0000 173.1265 30 H 4.7470 7.9098 116.7652 54.0687 31.7245 174.8521 31 E 4.6358 9.0269 120.7549 53.5243 29.8288 172.0365 32 P 4.8916 0.0000 0.0000 62.2152 32.8143 175.9897 33 I 4.4169 8.7711 124.0973 59.3802 40.0489 174.1583 34 D 4.8378 8.8146 127.9413 54.2465 41.2791 175.6150 35 C 4.4937 9.2214 124.0540 59.5142 29.0452 174.0458 36 G 4.0292 8.7658 106.5744 44.1261 0.0000 173.2500 37 A 4.0979 7.4644 123.0388 51.7499 18.7101 178.2965 38 L 4.4313 8.4270 120.7943 56.0780 42.4021 176.7477 39 R 4.4970 7.2492 116.1349 53.9859 33.1283 173.3603 40 Y 3.3947 7.6840 123.1299 57.1972 39.1867 174.7357 41 D 4.2995 7.7194 125.6533 51.9477 42.8642 175.3667 42 A 3.4703 8.2191 130.4825 54.4420 18.4374 177.4958 43 D 4.6515 7.8188 113.5768 53.9408 41.4104 176.3565 44 D 4.6454 7.7839 119.5777 53.0668 40.2291 175.1903 45 D 4.9682 8.2946 119.4631 52.2689 43.2587 176.8446 46 Y 4.5694 8.5609 123.3574 59.6462 37.9264 176.3967 47 P 4.2505 0.0000 0.0000 65.6009 31.4193 178.2485 48 A 3.8586 7.6067 118.7283 55.0783 18.2570 179.5818 49 F 4.3648 7.5380 115.8719 60.9046 39.0695 177.6403 50 C 4.3092 8.2751 116.0862 62.8125 27.8824 176.1803 51 I 3.7103 8.2587 121.6939 64.1135 36.6711 178.3061 52 A 3.9363 8.1424 121.3748 55.1523 18.2791 179.4994 53 A 3.9736 8.1950 118.9960 55.3300 18.5069 179.7791 54 A 3.9433 8.2111 119.3090 55.5472 18.4642 179.9807 55 T 3.7711 8.1248 114.5324 66.9458 68.3173 177.1842 56 R 3.6718 7.6006 118.6193 59.1617 30.2918 178.9630 57 T 4.0954 7.4642 116.9260 66.1907 68.2903 176.9308 58 V 3.6168 7.5799 118.4776 65.6452 31.6459 177.2204 59 A 4.3205 7.7266 118.2277 52.4624 19.9760 177.0745 60 D 4.8044 7.5814 116.5182 50.6004 41.1031 172.1657 61 P 4.4446 0.0000 0.0000 64.0768 32.1408 177.0107 62 G 3.9812 9.1138 111.2637 44.9079 0.0000 173.4283 63 S 4.7887 7.9286 114.7321 57.5967 65.6198 172.7403 64 L 5.0693 8.7977 119.6389 53.2321 46.0630 175.6633 65 G 4.6811 9.4017 105.5536 45.3222 0.0000 172.1529 66 I 5.0985 9.0026 122.2505 59.3495 41.3339 174.6982 67 V 5.0086 8.8090 120.2922 59.5160 34.2581 174.7067 68 L 5.1314 8.8762 124.3705 53.2733 44.9924 175.9198 69 G 4.1364 7.9397 109.8189 45.2195 0.0000 172.6964 70 G 3.7560 9.0721 106.4818 49.1777 0.0000 176.2806 71 S 4.4273 8.2359 115.3713 57.3192 64.3987 176.0120 72 G 4.0019 8.2045 109.0608 45.6869 0.0000 175.1478 73 N 4.3825 8.1680 117.8627 56.2268 38.5896 177.4296 74 G 3.3639 7.7942 106.6048 47.7111 0.0000 175.4405 75 E 3.9424 7.6143 120.4768 59.2237 29.6124 179.2889 76 Q 4.1014 8.1836 117.7500 59.1216 28.4176 178.5358 77 I 3.6806 7.6072 120.8881 64.1332 37.6046 177.8478 78 A 4.1956 8.1952 121.2836 55.2578 18.3096 179.5056 79 A 4.0127 8.1171 119.2485 55.4363 18.2622 179.3608 80 N 4.5204 8.2084 113.2069 55.3839 38.7215 177.2281 81 K 4.2462 7.6912 118.9653 57.2448 32.5934 177.3226 82 V 3.7363 7.4045 120.8615 61.4720 31.8695 173.4668 83 P 4.9535 0.0000 0.0000 63.8331 31.4696 176.7147 84 G 3.9022 9.1559 111.1377 45.1132 0.0000 173.3033 85 A 4.4884 7.5815 122.4958 51.3493 19.9796 177.0772 86 R 4.6502 9.1871 120.3263 54.6387 33.5176 174.2392 87 C 5.1865 9.6308 125.5970 57.4998 33.4783 173.4412 88 A 4.5030 8.6186 128.6014 51.0773 20.6332 175.5041 89 L 4.8470 8.4214 121.3923 53.8506 43.1318 175.6555 90 A 4.6235 8.6451 129.8188 50.1649 19.7085 176.3656 91 W 4.8428 8.1309 118.3006 56.0798 29.1384 175.8017 92 S 4.4089 7.0028 112.7946 56.4814 66.0269 175.5051 93 V 3.5030 8.0728 121.8109 66.1567 31.1344 177.9794 94 Q 3.8605 7.7159 119.0729 59.3338 29.0157 178.1272 95 T 3.7351 7.5254 110.5901 64.3442 68.3006 176.6017 96 A 3.9374 7.8812 123.5916 54.8637 18.3373 179.4452 97 A 3.9891 7.9856 119.2185 55.4892 18.4572 179.9673 98 L 3.8166 8.1091 117.3326 57.6145 41.4999 179.5158 99 A 4.0310 8.0366 120.9809 55.2456 18.1596 180.0075 100 R 3.9244 7.8045 115.1641 59.4460 30.0957 179.0147 101 E 4.2651 8.5341 118.5216 59.6489 29.3017 178.6854 102 H 4.3749 8.4619 114.0770 57.2066 29.8985 175.9596 103 N 4.6038 8.2098 114.3314 52.5235 39.2956 174.0942 104 N 3.8343 8.0942 115.3174 53.7666 37.3079 173.9720 105 A 4.1715 7.9989 119.6429 52.3722 18.9943 178.5672 106 Q 4.3617 8.7459 122.1313 57.6631 30.2680 175.8120 107 L 6.2000 8.4438 117.9686 51.6827 46.0962 175.6260 108 I 4.8312 7.7068 113.6132 59.0524 41.2519 174.2871 109 G 4.3263 8.9927 111.3561 45.0797 0.0000 172.6278 110 I 4.8881 8.5030 123.1916 59.1107 41.3213 175.4559 111 G 3.8112 8.3070 115.4715 43.4033 0.0000 174.1808 112 G 3.7292 8.8730 117.4816 48.2602 0.0000 174.1156 113 R 4.2068 7.8313 116.6763 57.8743 30.1448 176.9879 114 M 4.3467 7.7770 116.5158 55.6027 32.8487 175.6398 115 H 5.1667 7.5707 113.7161 52.9852 33.1248 173.8284 116 T 4.1734 8.5396 113.0061 61.4367 70.6678 175.8839 117 V 3.5703 8.2915 120.4303 66.0561 31.5537 177.8715 118 A 3.9673 7.9487 120.0371 55.2700 18.3967 179.3266 119 E 3.8991 8.1398 116.4258 59.4275 29.5176 179.4893 120 A 3.9345 8.0820 120.8621 55.1653 18.4678 179.7562 121 L 3.8980 8.1320 117.2857 57.5915 41.5955 179.5673 122 A 4.0246 7.9741 120.9566 54.9588 18.2383 179.7706 123 I 3.6148 7.6033 118.0963 64.4496 37.1546 178.7863 124 V 3.6724 7.8015 119.1095 66.0444 31.2496 177.7612 125 D 4.3593 8.2958 118.3932 57.4026 40.7358 178.5349 126 A 4.0030 7.9978 121.1960 55.2763 18.1287 179.5081 127 F 4.2399 8.0754 117.9580 61.3273 39.6394 177.1584 128 V 3.6405 7.7289 109.5322 62.3401 31.7187 177.2639 129 T 4.4535 7.3797 108.1881 61.4935 70.1356 174.9144 130 T 4.1142 7.2524 119.1493 62.4096 68.9618 172.8356 131 P 4.5076 0.0000 0.0000 61.5202 32.2227 175.9703 132 W 5.0001 8.8922 131.1930 56.9009 31.1206 176.5723 133 S 3.9088 8.2462 121.0582 59.2795 62.6739 175.2356 134 K 2.6474 5.6600 116.7450 56.5215 29.3947 175.9191 135 A 3.9675 6.7984 121.1153 51.6080 19.9049 178.7780 136 Q 3.9276 8.6366 124.7739 59.5177 29.1482 179.5350 137 R 3.9235 7.8318 116.3928 59.5476 29.5716 178.3945 138 H 4.3927 8.0188 116.4862 58.7925 28.8070 177.3765 139 Q 4.2291 8.5060 121.4732 59.1662 28.8979 178.0793 140 R 3.9214 8.3717 120.0454 59.6330 30.0888 178.8091 141 R 3.9736 8.1004 117.7362 59.2066 30.0569 178.8392 142 I 3.7140 7.9274 119.6470 64.7742 37.1509 178.2379 143 D 4.3851 8.4369 119.6289 57.2442 40.6064 178.8791 144 I 3.7448 7.8122 120.4677 64.3575 37.0844 178.2372 145 L 4.0360 8.0606 120.9489 58.0936 41.9864 178.7975 146 A 4.0007 8.2938 120.9470 55.1667 18.3766 179.2593 147 E 3.9087 8.4296 117.8991 59.4543 29.7236 178.4064 148 Y 4.0919 8.1101 119.6963 60.7111 38.9937 177.7284 149 E 3.8424 8.4840 119.6819 59.4738 29.3283 179.4333 150 R 3.8422 7.6748 117.8203 58.6971 30.2572 177.6606 151 T 4.3278 7.4300 106.3144 60.5064 70.3405 173.8570 152 H 3.1137 7.8196 117.4234 56.3610 26.9751 174.3251 153 E 4.5270 7.6323 118.7279 54.1649 29.8844 176.2290 154 A 4.1318 8.8077 127.7527 51.6035 18.9150 175.4166 155 P 4.5304 0.0000 0.0000 61.4297 32.2621 174.6322 156 P 4.2823 0.0000 0.0000 62.9286 31.7669 175.8929 157 V 4.0906 8.0485 120.3318 60.5637 32.0368 173.9697 158 P 4.1230 0.0000 0.0000 63.0422 31.7896 176.6431 *159 G 3.7274 8.5795 110.0517 45.8896 0.0000 172.4717 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 G 8.35 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 4 M 8.76 4.51 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 5 R 8.60 4.47 0.00 1.82 1.72 0.00 3.27 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.35 0.00 6 V 8.41 4.82 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 0.90 0.00 0.00 0.95 0.00 0.00 7 Y 9.04 4.95 0.00 3.07 2.90 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 0.00 0.00 0.00 8 L 9.27 5.33 0.00 1.61 1.53 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.83 4.65 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 0.00 0.00 0.00 10 A 8.76 5.14 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 11 D 8.43 4.59 0.00 3.21 3.14 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 12 H 9.04 3.96 0.00 2.81 3.32 0.00 5.26 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 13 A 7.85 4.07 1.32 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 0.00 0.00 14 G 8.08 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 15 Y 7.69 4.06 0.00 3.20 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.29 3.88 0.00 2.05 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 2.57 2.33 0.00 17 L 7.82 3.94 0.00 1.74 1.78 0.90 0.66 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 K 8.15 3.82 0.00 1.85 1.81 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.43 7.81 19 Q 7.66 3.83 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 20 R 7.78 3.93 0.00 1.99 1.95 0.00 3.10 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 21 I 8.00 3.81 1.97 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 1.50 0.76 0.92 0.00 0.00 22 I 7.98 3.69 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 0.89 0.00 0.00 23 E 8.11 3.92 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 24 H 8.31 4.18 0.00 3.38 3.45 0.00 5.84 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 25 L 8.29 4.13 0.00 1.76 1.72 0.94 0.76 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 26 K 8.03 3.91 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 27 Q 8.01 4.04 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.21 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 28 T 7.73 4.46 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 29 G 7.75 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 30 H 7.91 4.75 0.00 3.13 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.03 4.64 0.00 1.93 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 2.10 2.16 0.00 32 P 0.00 4.89 0.00 2.09 2.02 0.00 3.73 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 1.96 2.18 0.00 33 I 8.77 4.42 1.56 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.59 1.04 0.00 0.00 34 D 8.81 4.84 0.00 2.70 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 35 C 9.22 4.49 0.00 3.12 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 36 G 8.77 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 37 A 7.46 4.10 0.95 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 38 L 8.43 4.43 0.00 1.71 1.81 0.98 0.92 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 39 R 7.25 4.50 0.00 1.70 1.72 0.00 3.05 0.00 0.00 3.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 40 Y 7.68 3.39 0.00 2.48 2.67 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 41 D 7.72 4.30 0.00 2.53 2.50 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 42 A 8.22 3.47 1.24 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 43 D 7.82 4.65 0.00 2.62 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 44 D 7.78 4.65 0.00 2.94 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 45 D 8.29 4.97 0.00 2.52 2.41 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 46 Y 8.56 4.57 0.00 3.34 3.50 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 47 P 0.00 4.25 0.00 1.95 2.00 0.00 3.15 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 0.00 48 A 7.61 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.54 4.36 0.00 3.37 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.28 4.31 0.00 3.27 3.07 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 51 I 8.26 3.71 1.90 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 1.46 0.79 0.89 0.00 0.00 52 A 8.14 3.94 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 53 A 8.19 3.97 1.48 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 0.00 0.00 54 A 8.21 3.94 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 55 T 8.12 3.77 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 1.16 0.00 0.00 56 R 7.60 3.67 0.00 1.21 0.85 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 57 T 7.46 4.10 4.39 0.00 0.00 0.00 0.00 0.00 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 58 V 7.58 3.62 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 0.79 0.00 0.00 0.97 0.00 0.00 59 A 7.73 4.32 1.32 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 0.00 0.00 60 D 7.58 4.80 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 61 P 0.00 4.44 0.00 2.09 2.01 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 62 G 9.11 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 63 S 7.93 4.79 0.00 4.22 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 0.00 64 L 8.80 5.07 0.00 1.59 1.77 0.41 0.64 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 65 G 9.40 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 9.00 5.10 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.90 0.83 0.00 0.00 67 V 8.81 5.01 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 0.79 0.00 0.00 1.01 0.00 0.00 68 L 8.88 5.13 0.00 1.51 1.51 0.89 0.67 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 69 G 7.94 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.07 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 71 S 8.24 4.43 0.00 3.95 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 72 G 8.20 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 0.00 0.00 0.00 73 N 8.17 4.38 0.00 2.70 2.82 0.00 0.00 6.73 7.76 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 74 G 7.79 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 0.00 0.00 0.00 75 E 7.61 3.94 0.00 2.14 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 2.49 2.34 0.00 76 Q 8.18 4.10 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.72 0.00 77 I 7.61 3.68 2.07 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 1.47 0.64 0.96 0.00 0.00 78 A 8.20 4.20 1.56 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 79 A 8.12 4.01 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 80 N 8.21 4.52 0.00 2.95 2.92 0.00 0.00 7.10 7.13 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 81 K 7.69 4.25 0.00 1.93 1.89 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.61 7.81 82 V 7.40 3.74 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 83 P 0.00 4.95 0.00 2.06 1.98 0.00 3.78 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 84 G 9.16 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.58 4.49 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 86 R 9.19 4.65 0.00 1.77 1.80 0.00 3.07 0.00 0.00 3.03 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 87 C 9.63 5.19 0.00 2.89 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 88 A 8.62 4.50 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 89 L 8.42 4.85 0.00 1.68 1.69 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.65 4.62 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 91 W 8.13 4.84 0.00 3.62 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 92 S 7.00 4.41 0.00 3.64 3.28 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 0.00 93 V 8.07 3.50 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 0.98 0.00 0.00 0.88 0.00 0.00 94 Q 7.72 3.86 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 95 T 7.53 3.74 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 0.68 0.00 0.00 96 A 7.88 3.94 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 97 A 7.99 3.99 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 98 L 8.11 3.82 0.00 1.63 1.62 0.84 0.61 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 99 A 8.04 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.80 3.92 0.00 2.10 2.11 0.00 3.48 0.00 0.00 2.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 101 E 8.53 4.27 0.00 2.04 2.13 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 2.38 2.59 0.00 102 H 8.46 4.37 0.00 3.20 3.24 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.21 4.60 0.00 2.89 2.84 0.00 0.00 7.01 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.09 3.83 0.00 1.44 1.91 0.00 0.00 7.00 7.96 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 0.00 105 A 8.00 4.17 1.43 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 0.00 0.00 106 Q 8.75 4.36 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 107 L 8.44 6.20 0.00 1.64 1.50 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.71 4.83 1.53 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.49 0.44 0.00 0.00 109 G 8.99 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.50 4.89 1.84 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 1.08 1.15 0.92 0.00 0.00 111 G 8.31 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 0.00 0.00 0.00 112 G 8.87 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 0.00 113 R 7.83 4.21 0.00 2.01 1.99 0.00 3.18 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 114 M 7.78 4.35 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.72 0.00 115 H 7.57 5.17 0.00 3.15 3.14 0.00 5.66 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.54 4.17 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 1.27 0.00 0.00 117 V 8.29 3.57 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 1.01 0.00 0.00 0.92 0.00 0.00 118 A 7.95 3.97 1.32 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 0.00 0.00 119 E 8.14 3.90 0.00 2.26 2.02 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 2.35 2.34 0.00 120 A 8.08 3.93 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 0.00 121 L 8.13 3.90 0.00 1.58 1.40 0.79 0.45 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 0.00 122 A 7.97 4.02 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 0.00 123 I 7.60 3.61 1.98 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.83 0.00 0.00 124 V 7.80 3.67 2.24 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 1.11 0.00 0.00 1.00 0.00 0.00 125 D 8.30 4.36 0.00 2.92 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 0.00 126 A 8.00 4.00 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 0.00 127 F 8.08 4.24 0.00 3.01 3.28 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 0.00 128 V 7.73 3.64 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.88 0.00 0.00 129 T 7.38 4.45 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 1.24 0.00 0.00 130 T 7.25 4.11 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 1.28 0.00 0.00 131 P 0.00 4.51 0.00 2.05 1.99 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 132 W 8.89 5.00 0.00 3.25 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.25 3.91 0.00 3.82 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 0.00 134 K 5.66 2.65 0.00 1.57 1.68 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.88 1.04 7.81 135 A 6.80 3.97 1.11 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 0.00 136 Q 8.64 3.93 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 137 R 7.83 3.92 0.00 2.05 2.13 0.00 2.96 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 138 H 8.02 4.39 0.00 3.59 3.98 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.51 4.23 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.68 0.00 140 R 8.37 3.92 0.00 2.04 2.14 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 141 R 8.10 3.97 0.00 2.14 2.01 0.00 3.37 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 142 I 7.93 3.71 2.06 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.72 0.86 0.00 0.00 143 D 8.44 4.39 0.00 2.88 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 0.00 144 I 7.81 3.74 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.94 0.00 0.00 145 L 8.06 4.04 0.00 1.81 1.84 1.00 1.05 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 0.00 146 A 8.29 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 3.91 0.00 2.13 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 0.00 2.34 2.40 0.00 148 Y 8.11 4.09 0.00 3.10 3.18 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 0.00 149 E 8.48 3.84 0.00 2.24 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 2.37 2.41 0.00 150 R 7.67 3.84 0.00 1.93 2.06 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 151 T 7.43 4.33 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 1.23 0.00 0.00 152 H 7.82 3.11 0.00 3.08 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.63 4.53 0.00 1.93 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 2.28 2.43 0.00 154 A 8.81 4.13 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 0.00 155 P 0.00 4.53 0.00 2.20 2.10 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 156 P 0.00 4.28 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 157 V 8.05 4.09 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 0.83 0.00 0.00 0.92 0.00 0.00 158 P 0.00 4.12 0.00 2.08 1.99 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 *159 G 8.58 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 * Residues marked with a * may have inaccurate shift predictions.