NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.2347 8.4345 115.4127 57.8570 63.7195 173.4123 *2 K 4.1445 8.2476 128.6988 55.0263 33.5402 171.3850 3 I 5.1180 8.4123 126.1911 58.9888 38.7924 175.1388 4 S 4.6989 9.1755 120.9308 55.8702 66.8392 173.4598 5 P 5.3257 0.0000 0.0000 61.5098 30.6812 176.6179 *7 L 4.1339 8.2577 123.8985 55.1829 42.8058 177.3742 8 L 3.6397 8.3873 120.5530 58.2611 41.8338 180.2668 9 S 4.1784 7.9689 113.3648 61.5552 63.1879 175.8816 10 D 4.4124 8.1079 120.2313 57.0949 40.2850 178.6392 11 I 3.4509 7.0962 119.2796 64.3383 37.0582 177.4474 12 E 3.8506 8.1457 119.3109 59.8312 29.3691 179.0317 13 Q 4.0120 7.9594 117.0474 58.6252 28.6703 178.9569 14 V 3.5426 7.5737 119.5275 65.8702 31.6541 178.1229 15 V 3.6458 8.2023 120.9125 66.7552 31.0933 178.3809 16 E 3.9876 7.8564 116.7243 61.0585 29.5290 180.4483 17 L 4.2414 7.9392 121.5102 57.8404 42.1629 178.7928 18 E 3.8974 8.3719 118.6585 59.7083 29.3628 179.2501 19 N 4.6279 8.0799 114.3472 55.6129 38.6068 176.7497 20 K 4.0968 7.4747 119.7390 58.2850 32.3785 178.0457 21 T 4.0586 7.7612 115.2142 63.9480 69.1661 175.2813 22 W 4.7803 7.2535 120.8525 56.3379 29.6596 175.5188 23 S 4.8307 9.3111 117.3788 56.0679 65.7282 174.6869 24 E 4.3335 8.7114 118.8019 57.8442 29.2005 178.2154 25 Q 4.1836 7.6182 118.6851 57.4039 29.3286 175.7133 26 N 5.0814 8.5365 112.1775 52.2927 38.2022 173.9464 27 T 4.4708 7.4557 113.2670 60.3700 70.3627 172.0612 28 P 4.2672 0.0000 0.0000 63.6065 32.1604 176.5185 29 V 3.7244 6.8137 118.6316 61.4871 32.0088 173.8591 30 P 4.3039 0.0000 0.0000 62.8595 31.7335 176.1323 31 L 4.4818 8.2604 122.6925 53.3396 42.7252 174.6908 32 P 4.6877 0.0000 0.0000 62.1305 32.6021 176.7482 33 V 3.6780 8.5226 114.2281 63.3780 31.9521 176.4331 34 A 5.4556 8.3809 120.5815 50.0687 21.2618 176.1126 35 S 4.6664 8.0020 113.8008 55.5587 67.3243 175.2369 36 K 3.8010 8.5870 122.4931 59.8815 31.9551 178.3231 37 D 4.3910 8.0060 118.5323 57.4927 40.7907 178.5637 38 Q 4.0542 8.1371 118.0634 59.5899 28.4923 178.7716 39 I 3.8681 7.7696 121.2206 63.9700 36.9587 178.5058 40 I 3.8296 7.4816 121.1363 64.2357 36.8453 178.0944 41 Q 4.1313 8.0079 118.6395 59.1218 28.6442 179.2007 42 K 3.9411 7.8917 119.0829 59.6307 31.9954 178.9160 43 F 4.4366 8.3166 119.1259 61.7740 39.4465 176.8402 44 E 4.0692 9.0189 116.6414 56.0738 29.5347 178.3685 45 S 4.3565 8.4885 112.4459 58.5897 63.1881 174.5701 46 N 4.6911 9.3051 119.3052 52.5841 39.1319 175.2576 47 T 4.3985 7.6011 116.4466 62.8087 69.8547 173.9825 48 H 4.8759 8.0842 122.5182 54.1837 31.0926 173.8496 49 F 5.2505 8.8094 119.4796 55.8049 42.3029 173.8750 50 L 5.0744 9.6401 124.4450 53.1878 44.0763 175.6571 51 V 4.9422 9.3082 122.9007 61.0705 34.6888 173.8466 52 A 5.1620 9.2141 129.8700 50.6617 20.8549 176.0362 53 K 5.1425 8.7401 120.6441 54.8895 36.6696 176.2977 54 I 4.4736 8.6032 126.1509 61.3520 40.8235 176.3963 55 K 3.9290 9.4622 125.7029 55.8564 28.8857 172.5863 56 D 4.4707 8.4079 115.4178 55.4162 38.5948 173.3552 57 K 4.5513 7.7847 121.5519 54.1614 33.4315 175.5971 58 I 4.1829 8.9576 128.6254 61.9953 37.3463 176.1949 59 V 4.3374 8.9316 118.4616 60.9375 33.7031 175.4732 60 G 4.3829 7.4673 105.5549 45.4975 0.0000 172.8961 61 V 5.1743 8.5718 114.5843 59.1637 35.8683 174.4931 62 L 5.4527 9.4172 126.5131 53.2701 45.1077 174.5845 63 D 5.3103 8.8846 125.6294 51.5938 42.1168 174.6473 64 Y 5.4773 7.9681 119.7329 55.6222 42.1167 173.9874 65 S 4.9012 9.1735 113.3790 57.4593 66.7476 175.1974 66 S 4.5022 8.5938 116.5375 59.2834 62.8451 175.4992 67 L 3.8213 8.8100 127.4563 57.4350 42.2881 176.8170 68 Y 4.7149 7.0230 111.2191 55.2170 41.3430 173.9498 69 P 4.3599 0.0000 0.0000 65.3847 31.8595 177.4611 70 F 4.7221 6.9453 112.2391 55.2394 39.3468 174.5550 71 P 4.3198 0.0000 0.0000 65.7666 31.2446 178.9749 72 S 4.3524 8.5425 111.2145 60.2628 63.0065 174.8484 73 G 4.1191 7.9464 110.0925 45.2343 0.0000 174.5173 74 Q 4.2422 8.2794 118.2643 57.8895 29.0795 176.1434 75 H 4.8867 8.4394 114.4946 55.7163 30.1883 174.0935 76 I 5.2031 7.9077 121.4919 59.8955 39.7317 175.0049 77 V 4.3841 8.5026 126.9276 60.2895 34.0345 174.7368 78 T 5.2934 9.2376 116.6344 60.9234 71.3990 172.0757 79 F 5.2623 8.2119 117.9692 55.9706 40.8404 173.1301 80 G 4.2522 9.1353 107.1454 44.7776 0.0000 171.8138 81 I 5.3164 8.3117 118.5426 59.7031 41.4331 173.8544 82 A 4.3452 9.1458 130.2112 50.4367 22.3595 174.7816 83 V 4.6439 8.0947 122.5674 60.5953 33.7767 175.0978 84 A 3.7489 8.4334 129.2392 52.7576 18.9812 177.4491 85 E 3.7104 9.2147 124.0305 59.2798 29.6005 179.0949 86 K 4.1671 7.9311 114.4560 58.4610 32.9854 176.9980 87 E 4.5330 8.1303 118.6895 56.0747 29.5871 176.3344 88 R 3.9860 7.5353 118.7949 57.0375 30.5959 176.8127 89 R 4.3905 8.4102 116.3467 57.4543 27.3935 177.2436 90 K 4.3275 7.7086 114.9973 56.1138 32.9396 177.4393 91 G 4.0606 8.2462 108.2842 45.2341 0.0000 175.6621 92 I 3.7637 7.9737 120.9594 64.3759 37.2078 177.9455 93 G 3.6759 8.0885 105.9174 48.1451 0.0000 175.4516 94 R 4.0907 8.2229 120.7065 58.9037 30.2411 178.2844 95 A 4.0256 7.9019 120.4394 54.7820 18.2944 179.5718 96 L 3.9599 7.9665 117.6006 58.1051 41.7118 179.9484 97 V 3.5853 7.8021 117.8411 66.1028 31.1371 177.9823 98 Q 3.8689 8.4036 118.0729 59.0423 28.5337 179.0451 99 I 3.7127 7.7169 120.4622 64.1339 36.9369 178.0894 100 F 3.8977 8.2460 120.6966 61.4783 39.6666 176.7611 101 L 3.3487 8.4264 118.9568 57.4970 41.0493 179.3699 102 N 4.2325 7.4430 116.4764 56.7571 38.8545 176.8701 103 E 3.9231 7.6813 118.2251 58.5160 29.6705 178.4405 104 V 4.3202 7.0682 116.0004 62.0845 32.6560 176.3642 105 K 4.3494 7.3812 115.7503 58.3405 32.6545 177.7612 106 S 4.5125 7.7634 115.0896 60.3408 64.3111 175.2535 107 D 4.4358 7.9711 120.1565 54.4580 41.1300 175.3993 108 Y 4.8977 7.2194 115.3167 56.3723 42.0411 174.8224 109 Q 4.6865 8.8879 118.2818 56.3066 31.5565 175.8678 110 K 5.0004 7.9571 120.1056 55.1921 35.9310 174.5754 111 V 4.8505 9.1215 128.0145 61.7559 33.6345 174.3123 112 L 5.4418 8.7396 128.4101 53.5496 45.1972 175.2614 113 I 4.6400 8.8802 118.4589 59.6257 41.4373 173.5345 114 H 5.4637 8.6517 119.8824 54.5868 30.7985 174.7263 115 V 4.5894 8.8136 121.1858 61.0607 35.2225 174.5955 116 L 4.8270 8.7190 127.6421 54.6752 42.3272 178.4567 117 S 4.3254 8.8006 117.4088 60.6464 63.0701 175.3057 118 S 4.4486 8.0012 113.9869 58.9187 64.2063 174.3291 119 N 4.6807 7.8184 123.1258 52.4971 37.1941 174.9874 120 Q 4.1009 7.8195 122.5124 58.6050 29.6462 176.9565 121 E 3.8969 8.1174 119.3770 59.2237 29.5329 178.7201 122 A 3.7481 7.9388 120.4091 55.0158 18.3368 179.7375 123 V 3.4586 7.6497 116.0993 66.1994 31.6848 178.0288 124 L 3.9639 7.8115 118.5702 57.8248 41.0453 179.1709 125 F 4.1081 8.2155 120.3271 61.8586 39.1516 176.9152 126 Y 4.0262 7.9388 116.3792 60.5926 37.4706 178.4740 127 K 4.0078 8.1973 119.8370 59.6365 32.0601 179.0820 128 K 3.9230 7.8651 118.1294 59.2238 32.0712 177.6606 129 L 4.4089 7.1946 115.4160 54.5903 41.9820 177.4265 130 G 4.1685 8.2453 108.2411 44.8195 0.0000 174.3567 131 F 4.5269 7.9348 118.6204 58.1186 39.6739 174.4940 132 D 5.1657 9.3888 122.4330 52.5510 43.7155 175.5166 133 L 3.8465 8.5705 124.5256 54.5829 41.8214 175.6270 134 E 4.3221 9.1990 129.0384 58.4516 30.6012 175.9865 135 A 4.6468 7.3474 118.2813 50.8682 23.0641 175.3420 136 R 4.8725 8.2853 119.0006 54.9168 33.0553 174.2985 137 L 4.6614 9.0294 128.2928 53.3517 43.1337 176.1089 138 T 4.5856 8.5297 115.0322 61.5627 70.0997 174.7934 139 K 4.0182 8.9857 123.0902 57.6026 30.4355 176.2685 140 Q 3.8809 7.9652 120.2204 58.2954 29.5760 175.8597 141 F 5.0558 7.9337 114.5899 55.6015 42.9302 173.3638 142 F 4.7549 9.0148 125.9134 56.4759 39.6462 174.4761 143 L 4.6272 8.0236 128.0313 53.7857 44.5965 177.2687 144 K 3.4154 9.5550 120.2040 57.5811 29.6259 176.1701 145 G 3.7616 8.6866 103.1380 45.6307 0.0000 173.7499 146 Q 4.3203 6.4866 117.0004 53.9161 32.9940 173.3269 147 Y 4.8923 8.3907 117.8171 57.8094 39.0159 175.2321 148 V 4.6182 9.5077 124.3001 61.2296 35.2299 174.6139 149 D 5.2567 8.8023 125.8108 53.7687 43.1121 174.6189 150 D 5.3854 9.0742 119.9666 52.6310 43.9242 174.4942 151 L 5.1845 9.1252 125.9583 53.0199 44.8698 175.3273 152 I 4.7626 8.6379 124.2510 59.8256 39.4851 174.2344 153 Y 5.2923 8.7459 124.8886 56.2320 41.2129 175.0650 154 S 5.3427 9.6207 116.4886 57.0356 67.4160 172.1270 155 Y 4.4645 8.9044 122.3437 55.8166 41.3085 174.1947 156 D 4.5780 8.1776 127.2574 53.4806 40.0483 175.4734 157 L 4.2357 8.7039 124.4372 57.9027 42.0841 177.3770 158 E 4.0771 8.1314 120.4854 56.6626 29.2995 177.2718 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 S 8.43 4.23 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 8.25 4.14 0.00 1.50 1.79 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.05 7.81 3 I 8.41 5.12 1.91 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 1.05 0.97 0.00 0.00 4 S 9.18 4.70 0.00 3.85 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 5 P 0.00 5.33 0.00 2.16 2.00 0.00 3.82 0.00 0.00 3.44 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 *7 L 8.26 4.13 0.00 1.73 1.60 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.39 3.64 0.00 1.63 1.65 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.97 4.18 0.00 3.81 3.88 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 10 D 8.11 4.41 0.00 2.67 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 11 I 7.10 3.45 1.69 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.27 0.76 0.00 0.00 12 E 8.15 3.85 0.00 1.97 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 2.35 2.39 0.00 13 Q 7.96 4.01 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 14 V 7.57 3.54 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 1.04 0.00 0.00 0.88 0.00 0.00 15 V 8.20 3.65 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 0.93 0.00 0.00 0.95 0.00 0.00 16 E 7.86 3.99 0.00 2.13 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 2.26 2.19 0.00 17 L 7.94 4.24 0.00 1.73 1.88 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.37 3.90 0.00 2.22 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 19 N 8.08 4.63 0.00 2.80 2.92 0.00 0.00 7.08 6.92 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 20 K 7.47 4.10 0.00 1.90 1.83 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.42 7.81 21 T 7.76 4.06 3.49 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 0.12 0.00 0.00 22 W 7.25 4.78 0.00 3.30 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 23 S 9.31 4.83 0.00 3.94 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 24 E 8.71 4.33 0.00 1.95 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 2.29 2.26 0.00 25 Q 7.62 4.18 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 26 N 8.54 5.08 0.00 2.93 2.91 0.00 0.00 6.68 7.64 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 27 T 7.46 4.47 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 1.33 0.00 0.00 28 P 0.00 4.27 0.00 1.50 0.66 0.00 3.23 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.11 0.00 29 V 6.81 3.72 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 0.69 0.00 0.00 0.78 0.00 0.00 30 P 0.00 4.30 0.00 2.06 1.98 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 31 L 8.26 4.48 0.00 1.64 1.62 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.69 0.00 2.18 2.06 0.00 3.50 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 1.97 2.10 0.00 33 V 8.52 3.68 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 0.62 0.00 0.00 0.88 0.00 0.00 34 A 8.38 5.46 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 35 S 8.00 4.67 0.00 4.00 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 36 K 8.59 3.80 0.00 1.85 1.83 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.57 7.81 37 D 8.01 4.39 0.00 2.73 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 38 Q 8.14 4.05 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 39 I 7.77 3.87 1.95 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 1.58 0.91 0.59 0.00 0.00 40 I 7.48 3.83 2.07 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 0.96 1.00 0.00 0.00 41 Q 8.01 4.13 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 42 K 7.89 3.94 0.00 2.27 2.04 0.00 1.89 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.70 7.81 43 F 8.32 4.44 0.00 3.09 3.35 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 44 E 9.02 4.07 0.00 2.16 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 2.40 2.50 0.00 45 S 8.49 4.36 0.00 3.99 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 46 N 9.31 4.69 0.00 2.80 2.93 0.00 0.00 5.90 7.71 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 47 T 7.60 4.40 4.06 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 0.66 0.00 0.00 48 H 8.08 4.88 0.00 1.57 2.88 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.81 5.25 0.00 2.97 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 50 L 9.64 5.07 0.00 1.72 1.70 1.11 0.68 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 51 V 9.31 4.94 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 1.05 0.00 0.00 0.98 0.00 0.00 52 A 9.21 5.16 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 53 K 8.74 5.14 0.00 1.61 1.65 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81 54 I 8.60 4.47 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.90 0.00 0.00 55 K 9.46 3.93 0.00 1.92 1.74 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.01 7.81 56 D 8.41 4.47 0.00 2.81 2.79 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 0.00 0.00 0.00 57 K 7.78 4.55 0.00 1.89 1.63 0.00 1.50 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.39 7.81 58 I 8.96 4.18 1.96 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 1.29 0.74 0.90 0.00 0.00 59 V 8.93 4.34 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 0.76 0.00 0.00 0.92 0.00 0.00 60 G 7.47 4.38 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 0.00 61 V 8.57 5.17 2.27 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 0.92 0.00 0.00 1.06 0.00 0.00 62 L 9.42 5.45 0.00 1.71 1.58 0.73 0.89 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 63 D 8.88 5.31 0.00 1.85 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 0.00 0.00 0.00 0.00 64 Y 7.97 5.48 0.00 3.33 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 65 S 9.17 4.90 0.00 3.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.59 4.50 0.00 3.87 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.81 3.82 0.00 1.39 1.37 0.63 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.02 4.71 0.00 2.49 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 69 P 0.00 4.36 0.00 2.20 2.17 0.00 3.49 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 70 F 6.95 4.72 0.00 3.30 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 71 P 0.00 4.32 0.00 2.28 2.20 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 72 S 8.54 4.35 0.00 4.04 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 73 G 7.95 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 74 Q 8.28 4.24 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.09 0.00 0.00 0.00 0.00 0.00 2.58 2.32 0.00 75 H 8.44 4.89 0.00 3.32 3.58 0.00 5.40 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.91 5.20 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.94 0.00 0.00 77 V 8.50 4.38 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 0.67 0.00 0.00 0.70 0.00 0.00 78 T 9.24 5.29 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 1.19 0.00 0.00 79 F 8.21 5.26 0.00 2.88 2.45 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 80 G 9.14 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 0.00 0.00 0.00 0.00 81 I 8.31 5.32 2.19 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 1.25 0.96 1.09 0.00 0.00 82 A 9.15 4.35 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.09 4.64 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 0.77 0.00 0.00 0.83 0.00 0.00 84 A 8.43 3.75 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.21 3.71 0.00 1.89 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 2.32 2.26 0.00 86 K 7.93 4.17 0.00 1.86 1.87 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 87 E 8.13 4.53 0.00 1.86 1.94 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 2.20 2.35 0.00 88 R 7.54 3.99 0.00 2.02 1.74 0.00 3.13 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.72 0.00 89 R 8.41 4.39 0.00 1.93 2.00 0.00 3.31 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 90 K 7.71 4.33 0.00 1.66 1.80 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.60 7.81 91 G 8.25 4.06 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 0.00 0.00 0.00 92 I 7.97 3.76 1.83 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 1.56 0.57 0.90 0.00 0.00 93 G 8.09 3.68 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 94 R 8.22 4.09 0.00 2.01 2.01 0.00 3.21 0.00 0.00 3.57 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 95 A 7.90 4.03 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 96 L 7.97 3.96 0.00 2.02 1.79 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.80 3.59 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 1.13 0.00 0.00 1.20 0.00 0.00 98 Q 8.40 3.87 0.00 2.16 2.12 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 2.35 2.57 0.00 99 I 7.72 3.71 2.04 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 1.42 0.78 0.95 0.00 0.00 100 F 8.25 3.90 0.00 2.76 3.11 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 0.00 101 L 8.43 3.35 0.00 1.79 1.47 0.61 -0.20 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 0.00 102 N 7.44 4.23 0.00 2.91 2.90 0.00 0.00 7.08 7.31 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 0.00 103 E 7.68 3.92 0.00 1.89 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 2.52 0.00 104 V 7.07 4.32 1.39 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 0.56 0.00 0.00 0.58 0.00 0.00 105 K 7.38 4.35 0.00 2.03 1.93 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.38 7.81 106 S 7.76 4.51 0.00 4.00 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 0.00 107 D 7.97 4.44 0.00 2.46 2.33 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 0.00 108 Y 7.22 4.90 0.00 2.85 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.89 4.69 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 110 K 7.96 5.00 0.00 1.86 1.67 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.49 7.81 111 V 9.12 4.85 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 1.45 0.00 0.00 1.11 0.00 0.00 112 L 8.74 5.44 0.00 1.69 1.46 0.96 0.69 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 0.00 113 I 8.88 4.64 1.44 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.51 0.22 0.00 0.00 114 H 8.65 5.46 0.00 3.00 3.50 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.81 4.59 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 1.24 0.00 0.00 1.10 0.00 0.00 116 L 8.72 4.83 0.00 1.69 1.63 0.84 0.99 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 0.00 117 S 8.80 4.33 0.00 4.08 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 0.00 118 S 8.00 4.45 0.00 4.00 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 0.00 119 N 7.82 4.68 0.00 2.81 2.93 0.00 0.00 6.71 6.06 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 0.00 120 Q 7.82 4.10 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 121 E 8.12 3.90 0.00 1.95 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 2.37 2.41 0.00 122 A 7.94 3.75 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 0.00 123 V 7.65 3.46 2.29 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 1.23 0.00 0.00 1.09 0.00 0.00 124 L 7.81 3.96 0.00 2.06 1.74 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.22 4.11 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 0.00 126 Y 7.94 4.03 0.00 2.47 2.37 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 0.00 127 K 8.20 4.01 0.00 2.01 1.92 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.57 1.71 7.81 128 K 7.87 3.92 0.00 1.85 1.90 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 129 L 7.19 4.41 0.00 1.92 1.84 0.33 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.25 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 0.00 0.00 0.00 131 F 7.93 4.53 0.00 3.15 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 0.00 132 D 9.39 5.17 0.00 2.62 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 0.00 133 L 8.57 3.85 0.00 1.29 1.52 0.29 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 134 E 9.20 4.32 0.00 1.96 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 2.26 2.24 0.00 135 A 7.35 4.65 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.29 4.87 0.00 1.73 1.75 0.00 3.22 0.00 0.00 3.50 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 137 L 9.03 4.66 0.00 1.58 1.69 0.93 0.34 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 0.00 138 T 8.53 4.59 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 1.20 0.00 0.00 139 K 8.99 4.02 0.00 1.65 1.52 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.26 7.81 140 Q 7.97 3.88 0.00 2.06 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.66 0.00 0.00 0.00 0.00 0.00 2.05 1.31 0.00 141 F 7.93 5.06 0.00 3.13 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 0.00 142 F 9.01 4.75 0.00 2.69 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 0.00 143 L 8.02 4.63 0.00 1.60 1.50 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 144 K 9.55 3.42 0.00 1.74 1.78 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.33 7.81 145 G 8.69 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 0.00 146 Q 6.49 4.32 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.93 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 147 Y 8.39 4.89 0.00 3.06 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 0.00 148 V 9.51 4.62 2.26 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 1.09 0.00 0.00 0.95 0.00 0.00 149 D 8.80 5.26 0.00 2.73 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 0.00 150 D 9.07 5.39 0.00 2.94 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 9.13 5.18 0.00 1.81 1.43 1.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.64 4.76 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.93 0.87 0.00 0.00 153 Y 8.75 5.29 0.00 2.69 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 0.00 154 S 9.62 5.34 0.00 3.94 4.06 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 0.00 155 Y 8.90 4.46 0.00 1.91 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.18 4.58 0.00 2.59 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.70 4.24 0.00 1.70 1.78 1.06 0.88 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 0.00 158 E 8.13 4.08 0.00 2.15 1.87 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 2.33 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.