NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.2108 8.3231 115.2666 56.4496 64.3704 173.5644 7 G 4.1035 6.2118 112.8159 43.6099 0.0000 170.3176 8 F 5.8608 7.8146 114.3838 56.4149 41.6678 172.1429 9 K 4.5098 8.1104 120.7183 56.1933 35.7028 176.0929 10 H 4.4928 8.7235 116.4755 55.7468 26.3599 173.9442 11 I 5.0949 7.7415 118.2792 59.7488 40.7543 174.7040 12 L 4.5115 9.2820 127.6600 53.7329 43.3499 175.7866 13 V 4.3756 8.4185 123.4648 61.2901 33.6061 174.7201 14 D 4.7222 8.8381 128.8064 52.6338 42.2948 176.8596 15 G 3.9469 7.9598 118.7573 46.7979 0.0000 172.7253 16 D 4.5106 8.6365 125.7288 54.3468 41.2766 175.0717 17 T 4.7943 7.6122 117.8086 62.2935 70.2325 173.6406 18 L 5.0036 8.8042 126.7905 52.9387 44.6707 175.6474 19 S 5.1325 8.7965 119.7769 56.3628 66.3079 173.1860 20 Y 4.4904 8.8173 126.2606 58.2678 38.9113 176.3017 21 H 4.6602 8.1112 124.3231 55.1370 30.5272 171.6551 22 G 3.8426 6.3775 108.6648 43.4838 0.0000 169.2552 23 N 4.7158 9.5626 116.7924 52.8009 41.0451 175.5789 24 S 3.5052 9.5751 109.3864 60.2789 59.7188 171.4120 25 G 3.9956 8.5756 116.4058 45.7559 0.0000 171.4111 26 E 4.2743 7.7706 118.5309 55.6020 30.1488 176.2598 27 V 4.0758 8.4456 123.9892 62.0675 32.8594 175.0426 28 G 4.4388 8.8625 114.6000 44.9132 0.0000 171.8228 29 C 5.4060 8.8942 123.0348 57.6586 35.7523 171.9236 30 Y 5.2783 9.2559 125.9379 55.8122 41.7360 173.9724 31 V 4.6898 8.0154 125.7094 60.5951 34.3554 174.9292 32 A 4.0572 8.6340 129.9617 52.0717 18.6665 177.8632 33 S 4.1433 8.7695 115.5612 60.9063 63.2523 175.3930 34 R 4.8430 7.6947 117.1217 53.5192 32.3378 173.8525 35 P 4.1027 0.0000 0.0000 61.8323 32.5283 175.7761 36 L 4.4712 8.0595 120.7406 55.1699 42.4008 176.2743 37 T 4.3058 8.4030 111.2476 59.4231 71.7592 173.8838 38 K 2.6891 7.7008 121.5950 59.3291 32.1151 177.6273 39 D 4.3525 7.6591 117.0839 57.0798 41.3568 177.6600 40 S 4.5314 7.9903 117.5907 56.8197 60.8420 173.5516 41 N 5.1372 8.1131 117.9407 51.9278 37.9793 174.1843 42 Y 5.4527 7.6914 118.2031 56.9616 41.9815 173.6232 43 F 4.9969 8.0646 119.1864 55.4688 42.0432 172.9401 44 E 4.7844 8.8589 118.4464 54.4817 34.0416 174.8934 45 V 4.8337 8.9171 121.4743 61.3857 34.8346 174.2584 46 S 5.0030 8.8847 124.3115 57.0664 65.0524 173.4167 47 I 4.1876 8.6187 126.4941 61.1117 37.2403 176.8342 48 V 3.8010 8.7554 128.7726 65.1502 32.5210 176.2079 49 D 4.7862 7.7027 119.8863 53.1149 44.3260 176.1355 50 S 4.2682 9.3622 120.3917 58.3009 64.1694 175.6473 51 G 4.0487 8.4859 110.5262 45.7288 0.0000 173.7960 52 V 3.7185 8.0532 118.2910 65.2751 31.6203 178.2035 53 R 4.4348 7.8636 115.2038 54.6822 31.5631 175.8238 54 G 3.9528 8.0424 105.9093 46.6500 0.0000 175.0170 55 T 4.3832 7.8596 108.7619 60.0447 67.7706 174.0040 56 I 4.6211 7.2029 123.9980 60.2474 40.2431 176.0490 57 A 5.0151 8.8181 128.1979 49.9586 22.1865 175.0053 58 V 4.7929 8.4248 121.2322 61.5333 34.6684 174.6429 59 G 4.3478 8.4865 114.0075 46.6020 0.0000 171.4512 60 L 5.4811 8.5210 120.5157 53.1725 45.4172 176.4601 61 V 4.7436 8.6004 114.8637 58.7975 36.6770 173.4357 62 P 5.4715 0.0000 0.0000 61.2658 33.2914 175.5166 63 Q 3.8154 8.7351 117.7725 57.5060 28.9979 175.6522 64 Y 3.5697 8.1385 115.4563 58.8090 35.2500 169.2614 65 Y 4.2139 7.3727 119.9181 57.1504 39.3957 175.9164 66 S 4.0540 7.5844 120.2065 58.8388 62.7287 173.9873 67 L 4.4978 8.5161 126.3572 55.3397 41.6075 176.4919 68 D 5.1820 7.8991 117.8592 53.0327 39.8577 175.2233 69 H 5.0740 8.0346 114.5981 54.6849 33.0173 173.4883 70 Q 3.7905 7.3056 121.8561 54.6667 29.0388 174.3755 71 P 4.3887 0.0000 0.0000 64.1643 32.1535 175.2429 72 G 4.2972 9.0830 108.3932 45.9513 0.0000 176.0829 73 W 4.7872 8.5505 119.5138 58.8306 29.6824 176.1989 74 L 4.8121 8.3152 117.3109 51.7661 43.5658 173.9384 75 P 4.3618 0.0000 0.0000 64.5675 31.7180 175.8470 76 D 4.5626 9.0094 119.0487 55.0995 38.7626 173.3656 77 S 5.1588 7.6544 112.4191 56.7081 66.7785 173.1607 78 V 5.1390 8.6630 119.0964 60.7701 34.9048 173.3649 79 A 5.0941 9.3035 124.0481 51.3328 23.5149 174.1130 80 Y 4.7400 8.8559 121.4433 56.2616 40.9107 174.1264 81 H 5.1301 8.6174 124.2247 54.2284 30.2260 176.1204 82 A 4.0895 9.0935 126.6366 54.9950 18.7731 179.4725 83 D 4.3581 8.2869 114.0608 55.6155 39.6839 176.4801 84 D 4.6506 7.5523 115.2728 51.5943 41.0098 176.1041 85 G 3.6359 8.2348 107.8487 45.7905 0.0000 173.5238 86 K 4.6564 8.3376 119.6922 55.4795 34.1308 175.4820 87 L 4.5871 8.3148 125.0563 53.9850 43.6256 174.7082 88 Y 4.8606 9.0393 124.5458 55.5738 40.5871 176.1398 89 N 5.7175 8.0724 120.1510 50.0522 37.4566 173.0448 90 G 3.6978 8.0958 109.7508 46.3479 0.0000 172.2702 91 R 4.8576 8.0791 117.3322 54.0834 34.3011 174.2260 92 A 4.4012 8.3745 119.4397 52.3085 18.5233 177.0453 93 K 4.4179 7.7437 120.9858 55.9265 33.7066 176.3069 94 G 2.8354 8.0596 113.6736 45.1180 0.0000 171.9286 95 R 4.6483 7.8604 119.4579 53.8411 33.0649 174.5351 96 Q 3.8983 8.8473 124.1228 57.3403 28.6996 175.5753 97 F 4.9150 9.1714 125.1500 58.0460 43.9955 176.2353 98 G 4.6649 9.3824 109.6561 44.8641 0.0000 170.8497 99 S 5.0474 8.7906 114.3595 56.7041 64.9083 174.4212 100 K 4.3841 8.6237 120.2315 57.3816 33.1615 175.8898 101 C 5.0872 8.7943 119.3714 58.2085 31.1551 173.0119 102 N 5.0047 9.2395 120.0949 51.7022 41.9282 173.1708 103 S 4.2623 8.6406 114.3057 60.5296 63.0131 174.2330 104 G 4.1134 9.0375 114.0823 45.5864 0.0000 173.7094 105 D 5.0696 8.2290 119.3918 53.7741 42.7574 175.8072 106 R 5.0936 9.2506 116.3824 54.5696 33.2534 174.1259 107 I 4.8943 8.9321 122.1206 59.5576 40.3062 174.9156 108 G 4.3996 8.8637 113.2291 43.7682 0.0000 171.4318 109 C 4.5236 7.6464 120.3698 57.7007 35.4210 173.1799 110 G 4.0407 7.7639 111.9889 45.3641 0.0000 171.0009 111 I 4.9431 8.2456 120.2874 58.9540 40.0421 176.1120 112 E 4.2150 9.2397 126.5721 56.0448 29.9695 175.9999 113 P 4.7108 0.0000 0.0000 66.2889 31.2594 178.6190 114 V 3.7119 7.9197 115.2353 66.0034 31.7040 177.6287 115 S 4.3238 8.2565 113.2899 60.2716 62.6284 176.1993 116 F 4.3279 7.7591 118.1544 58.6498 37.9815 175.0779 117 D 4.8483 8.2834 120.6631 55.4385 41.0845 177.4507 118 V 2.8117 8.8446 109.5098 63.7150 30.8903 174.0513 119 Q 3.8888 8.8426 116.6131 55.5744 26.0858 173.8943 120 T 4.3124 6.6469 108.2070 61.2730 70.4847 172.0793 121 A 4.4050 7.8988 125.5342 50.2190 21.9846 175.0066 122 Q 4.5608 8.6026 124.9594 55.7543 29.9546 174.0618 123 I 4.8289 8.8392 129.0467 59.6267 39.2183 175.1572 124 F 5.5498 8.4086 121.4323 55.0804 41.3278 174.0621 125 F 5.4098 9.3944 118.4110 56.0490 43.0585 174.2660 126 T 5.1664 8.9344 110.6247 59.9114 72.8741 172.5933 127 K 4.7124 8.8342 124.1408 54.9138 35.0991 175.9460 128 N 4.0755 10.2604 127.0874 54.4629 36.5948 175.7798 129 G 3.9926 8.4834 105.2117 45.2210 0.0000 173.6327 130 K 4.4246 7.6924 121.7859 54.0573 33.5888 175.5170 131 R 4.4367 8.4668 126.5753 56.7931 30.7847 175.6710 132 V 3.8417 8.6407 125.4119 63.4175 32.5144 175.5010 133 G 3.9341 7.1292 103.8148 46.3263 0.0000 171.1359 134 S 5.6284 8.8410 115.1267 57.8246 67.6063 173.4496 135 T 4.6546 9.0607 113.3917 61.6900 70.9560 172.8516 136 I 5.0623 8.3821 128.0441 57.5921 40.4262 173.2748 *138 P 4.0551 0.0000 0.0000 63.0701 32.2543 176.2015 *140 S 4.1880 7.8464 111.2687 58.4655 63.8479 172.0524 141 P 4.3862 0.0000 0.0000 63.5482 33.0002 175.9068 142 D 4.5574 9.0753 115.9822 55.7029 39.8946 174.5719 143 G 4.1868 8.0757 103.1709 46.3500 0.0000 171.8965 144 L 5.2328 7.5892 120.7541 52.6957 44.3149 175.1943 145 F 5.0122 9.3182 123.0587 54.6692 41.7462 173.5812 146 P 4.4461 0.0000 0.0000 63.1220 32.2983 175.1014 147 A 5.2115 9.0848 124.1872 50.6019 23.2502 175.1174 148 V 4.9302 9.1436 119.5585 61.2095 35.3395 174.8095 149 G 4.5591 9.0101 113.9824 42.4158 0.0000 172.8666 *151 H 4.7141 8.7220 117.3265 55.1934 31.3301 172.5741 152 S 4.2965 6.7089 111.6788 56.3541 66.1815 173.2800 153 L 4.3080 8.1965 122.1243 57.4769 40.6286 178.1653 154 G 4.0439 8.9973 109.8521 45.2161 0.0000 173.5624 155 E 4.3817 7.7404 120.5173 56.6737 30.5832 175.8389 156 E 5.1492 9.1555 124.1164 55.2964 33.8084 174.1534 157 V 5.0634 8.9365 118.6679 60.0491 37.2969 173.9721 158 R 4.9049 8.7236 119.9590 54.3900 33.1741 174.8346 159 L 4.3903 8.8017 126.9261 54.5147 43.2042 176.5500 160 H 5.0005 9.1408 124.2165 53.7990 28.4319 174.5651 161 L 4.2467 8.3997 119.8775 56.4951 42.0753 177.6925 162 N 4.8987 7.9685 114.7072 52.6665 38.9200 174.7020 163 A 4.2719 7.9712 121.4707 52.1809 19.0413 177.3704 164 E 4.8379 8.5315 117.7322 55.2738 32.9147 175.9833 165 L 3.9441 8.4464 118.2348 55.1018 41.0726 174.4868 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 6 S 8.32 4.21 0.00 3.72 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 6.21 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 0.00 0.00 0.00 8 F 7.81 5.86 0.00 3.29 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 9 K 8.11 4.51 0.00 1.96 1.54 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.35 7.81 10 H 8.72 4.49 0.00 3.37 3.15 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.74 5.09 2.07 0.00 0.00 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 1.46 0.90 0.83 0.00 0.00 12 L 9.28 4.51 0.00 1.53 1.56 0.89 0.43 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 13 V 8.42 4.38 1.84 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 0.58 0.00 0.00 -0.01 0.00 0.00 14 D 8.84 4.72 0.00 2.64 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.96 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 16 D 8.64 4.51 0.00 2.66 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 17 T 7.61 4.79 4.31 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 1.21 0.00 0.00 18 L 8.80 5.00 0.00 1.39 1.37 0.45 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.80 5.13 0.00 3.73 3.74 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 20 Y 8.82 4.49 0.00 2.93 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 21 H 8.11 4.66 0.00 3.10 3.00 0.00 5.58 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 22 G 6.38 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.56 4.72 0.00 2.67 2.69 0.00 0.00 7.27 6.42 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 24 S 9.58 3.51 0.00 3.92 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 25 G 8.58 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 26 E 7.77 4.27 0.00 2.01 1.62 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 2.30 2.35 0.00 27 V 8.45 4.08 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 0.59 0.00 0.00 0.84 0.00 0.00 28 G 8.86 4.44 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 0.00 0.00 0.00 29 C 8.89 5.41 0.00 3.05 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 30 Y 9.26 5.28 0.00 3.06 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 31 V 8.02 4.69 1.88 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 0.72 0.00 0.00 0.93 0.00 0.00 32 A 8.63 4.06 1.28 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 0.00 0.00 33 S 8.77 4.14 0.00 3.89 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 34 R 7.69 4.84 0.00 1.78 1.82 0.00 3.38 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 35 P 0.00 4.10 0.00 1.65 0.49 0.00 3.72 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 1.79 1.76 0.00 36 L 8.06 4.47 0.00 1.70 1.90 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.40 4.31 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 1.11 0.00 0.00 38 K 7.70 2.69 0.00 1.23 1.58 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.45 7.81 39 D 7.66 4.35 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 40 S 7.99 4.53 0.00 3.85 3.72 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 41 N 8.11 5.14 0.00 3.43 3.46 0.00 0.00 5.51 7.57 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 42 Y 7.69 5.45 0.00 2.98 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 43 F 8.06 5.00 0.00 3.06 2.93 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 44 E 8.86 4.78 0.00 1.87 1.76 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 1.86 1.86 0.00 45 V 8.92 4.83 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 1.06 0.00 0.00 1.08 0.00 0.00 46 S 8.88 5.00 0.00 3.86 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 47 I 8.62 4.19 2.09 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 1.13 0.84 0.94 0.00 0.00 48 V 8.76 3.80 2.20 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 0.75 0.00 0.00 0.92 0.00 0.00 49 D 7.70 4.79 0.00 2.72 2.59 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 0.00 0.00 0.00 0.00 50 S 9.36 4.27 0.00 4.05 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 51 G 8.49 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 52 V 8.05 3.72 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 0.96 0.00 0.00 53 R 7.86 4.43 0.00 1.72 1.86 0.00 3.31 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 54 G 8.04 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 55 T 7.86 4.38 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 56 I 7.20 4.62 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 1.24 0.71 0.94 0.00 0.00 57 A 8.82 5.02 0.65 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 58 V 8.42 4.79 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 1.11 0.00 0.00 1.00 0.00 0.00 59 G 8.49 4.35 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 0.00 60 L 8.52 5.48 0.00 1.59 1.54 0.85 1.16 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 61 V 8.60 4.74 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 -0.07 0.00 0.00 0.90 0.00 0.00 62 P 0.00 5.47 0.00 2.28 2.33 0.00 3.92 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.99 0.00 63 Q 8.74 3.82 0.00 1.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.47 0.00 0.00 0.00 0.00 0.00 2.55 2.80 0.00 64 Y 8.14 3.57 0.00 3.21 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 7.37 4.21 0.00 3.23 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 66 S 7.58 4.05 0.00 3.70 3.39 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 0.00 67 L 8.52 4.50 0.00 1.67 1.69 0.85 1.05 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 68 D 7.90 5.18 0.00 2.65 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 69 H 8.03 5.07 0.00 3.09 3.54 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.31 3.79 0.00 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.07 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 P 0.00 4.39 0.00 2.09 1.87 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 72 G 9.08 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 0.00 0.00 0.00 0.00 73 W 8.55 4.79 0.00 3.70 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 74 L 8.32 4.81 0.00 1.89 1.60 0.56 1.07 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 75 P 0.00 4.36 0.00 2.11 2.09 0.00 3.89 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 2.08 2.20 0.00 76 D 9.01 4.56 0.00 2.94 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 77 S 7.65 5.16 0.00 3.77 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 78 V 8.66 5.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.09 0.00 0.00 79 A 9.30 5.09 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 80 Y 8.86 4.74 0.00 2.25 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 81 H 8.62 5.13 0.00 3.32 3.32 0.00 5.87 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 82 A 9.09 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.29 4.36 0.00 2.80 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 84 D 7.55 4.65 0.00 2.76 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 85 G 8.23 3.64 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 0.00 86 K 8.34 4.66 0.00 1.87 1.48 0.00 1.81 0.00 0.00 1.29 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.55 7.81 87 L 8.31 4.59 0.00 0.29 0.98 0.39 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 9.04 4.86 0.00 2.76 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 89 N 8.07 5.72 0.00 2.81 2.79 0.00 0.00 6.49 7.00 0.00 0.00 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 G 8.10 3.70 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 0.00 0.00 0.00 91 R 8.08 4.86 0.00 1.85 1.79 0.00 3.40 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 92 A 8.37 4.40 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 93 K 7.74 4.42 0.00 1.62 1.64 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.28 7.81 94 G 8.06 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 0.00 0.00 0.00 95 R 7.86 4.65 0.00 1.74 1.60 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 96 Q 8.85 3.90 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 97 F 9.17 4.92 0.00 3.04 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 98 G 9.38 4.66 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 99 S 8.79 5.05 0.00 3.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.62 4.38 0.00 1.91 1.87 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 101 C 8.79 5.09 0.00 3.03 2.93 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 0.00 102 N 9.24 5.00 0.00 2.64 2.65 0.00 0.00 7.26 7.19 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 0.00 103 S 8.64 4.26 0.00 3.90 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 0.00 104 G 9.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.23 5.07 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 9.25 5.09 0.00 1.96 1.99 0.00 2.81 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 107 I 8.93 4.89 1.90 0.00 0.00 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 1.26 0.84 0.92 0.00 0.00 108 G 8.86 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 0.00 0.00 0.00 0.00 109 C 7.65 4.52 0.00 2.60 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 0.00 0.00 0.00 0.00 110 G 7.76 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 0.00 111 I 8.25 4.94 1.81 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 1.05 0.61 0.32 0.00 0.00 112 E 9.24 4.21 0.00 1.90 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 2.71 2.66 0.00 113 P 0.00 4.71 0.00 2.24 2.25 0.00 3.69 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 114 V 7.92 3.71 2.11 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 0.91 0.00 0.00 0.96 0.00 0.00 115 S 8.26 4.32 0.00 4.22 4.02 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 0.00 116 F 7.76 4.33 0.00 3.30 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 0.00 117 D 8.28 4.85 0.00 2.63 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 0.00 0.00 0.00 0.00 118 V 8.84 2.81 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 0.71 0.00 0.00 0.95 0.00 0.00 119 Q 8.84 3.89 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 120 T 6.65 4.31 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 1.21 0.00 0.00 121 A 7.90 4.40 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.60 4.56 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 123 I 8.84 4.83 1.86 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 1.15 0.61 0.53 0.00 0.00 124 F 8.41 5.55 0.00 3.11 3.12 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 0.00 125 F 9.39 5.41 0.00 3.28 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 0.00 126 T 8.93 5.17 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 1.45 0.00 0.00 127 K 8.83 4.71 0.00 1.69 1.64 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.42 7.81 128 N 10.26 4.08 0.00 2.84 2.87 0.00 0.00 7.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.48 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 0.00 0.00 0.00 130 K 7.69 4.42 0.00 1.80 1.79 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.32 7.81 131 R 8.47 4.44 0.00 1.74 1.77 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 132 V 8.64 3.84 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 0.47 0.00 0.00 0.83 0.00 0.00 133 G 7.13 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 0.00 134 S 8.84 5.63 0.00 3.84 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 0.00 135 T 9.06 4.65 4.34 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 1.34 0.00 0.00 136 I 8.38 5.06 1.90 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 1.05 1.66 0.92 0.00 0.00 *138 P 0.00 4.06 0.00 2.22 2.19 0.00 3.82 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 1.91 1.98 0.00 *140 S 7.85 4.19 0.00 3.89 3.86 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 0.00 141 P 0.00 4.39 0.00 1.95 1.85 0.00 3.87 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 2.06 1.99 0.00 142 D 9.08 4.56 0.00 2.92 2.81 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 0.00 143 G 8.08 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 0.00 0.00 0.00 0.00 144 L 7.59 5.23 0.00 1.50 1.53 0.87 1.07 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 0.00 145 F 9.32 5.01 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 P 0.00 4.45 0.00 1.56 0.49 0.00 3.59 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 1.75 1.66 0.00 147 A 9.08 5.21 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 0.00 148 V 9.14 4.93 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 1.08 0.00 0.00 0.99 0.00 0.00 149 G 9.01 4.56 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 *151 H 8.72 4.71 0.00 3.12 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 S 6.71 4.30 0.00 3.82 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 0.00 153 L 8.20 4.31 0.00 1.99 1.98 0.95 0.44 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 0.00 154 G 9.00 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 0.00 0.00 0.00 155 E 7.74 4.38 0.00 1.91 1.88 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 2.37 2.29 0.00 156 E 9.16 5.15 0.00 2.01 1.73 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 2.19 2.42 0.00 157 V 8.94 5.06 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 0.68 0.00 0.00 0.89 0.00 0.00 158 R 8.72 4.90 0.00 1.64 1.61 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 159 L 8.80 4.39 0.00 1.34 1.38 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 160 H 9.14 5.00 0.00 3.17 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 8.40 4.25 0.00 1.65 1.74 0.92 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 0.00 162 N 7.97 4.90 0.00 2.73 2.84 0.00 0.00 6.92 7.35 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 0.00 163 A 7.97 4.27 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 0.00 164 E 8.53 4.84 0.00 2.07 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 2.18 2.25 0.00 165 L 8.45 3.94 0.00 1.77 1.85 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.