NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0089 8.3544 109.7296 44.7615 0.0000 172.4321 4 M 4.2377 8.1205 125.1045 57.1704 34.4834 174.0170 5 R 4.4924 7.9981 118.3467 55.8958 32.3043 175.2716 6 V 4.7481 8.2657 123.1576 61.3871 34.8155 173.6491 7 Y 4.9122 8.9884 126.4242 57.1853 39.5526 174.6756 8 L 5.8990 8.5168 123.4883 52.1343 45.6526 175.8443 9 G 4.6327 8.3213 107.8930 44.9507 0.0000 171.1025 10 A 5.0385 8.3348 120.7089 51.3183 23.5014 176.7807 11 D 4.6122 8.3900 120.8075 52.2128 42.0618 176.0755 12 H 3.8855 8.9950 113.5236 59.1740 28.1511 177.3151 13 A 4.0606 8.1200 122.0883 54.0621 18.3870 178.6836 14 G 4.0744 8.0457 100.6237 44.6047 0.0000 174.7106 15 Y 4.0598 7.7671 123.1472 60.7966 38.9214 177.9205 16 E 3.8354 8.3209 118.9748 59.2889 29.6055 179.0133 17 L 3.9148 7.8218 119.9091 57.8336 42.1497 178.5849 18 K 3.8224 8.1991 119.8859 59.7311 32.2116 178.8040 19 Q 3.8224 7.7437 118.1780 58.9015 28.5504 178.8778 20 R 3.9230 7.8503 119.1278 59.3219 29.9792 179.2374 21 I 3.8122 7.8799 119.7203 64.1750 37.0903 178.3890 22 I 3.6610 7.9320 120.9763 64.4540 36.9604 178.0929 23 E 3.9180 8.0377 119.5791 59.5138 29.3876 178.2883 24 H 4.1997 8.2869 118.3610 59.2741 29.8363 177.3052 25 L 4.1182 8.2348 122.5329 56.9047 41.4987 179.5152 26 K 4.0585 8.0462 118.5511 59.7849 31.8642 179.4838 27 Q 4.1232 8.0083 116.6991 58.0606 28.3677 177.8381 28 T 4.4555 7.6060 109.3796 61.1849 68.8713 175.7545 29 G 3.8902 7.9106 108.5986 45.8014 0.0000 173.2283 30 H 4.6861 7.8358 116.6788 54.4661 31.2599 175.0842 31 E 4.6072 9.2574 121.8835 53.5312 29.8375 172.3213 32 P 4.8106 0.0000 0.0000 62.3032 32.8157 175.9621 33 I 4.3874 8.7963 123.5577 59.4446 40.2069 174.1930 34 D 4.8584 8.7788 128.0120 53.9467 41.0940 175.7287 35 C 4.4359 9.2929 124.5305 60.0182 28.9268 174.2283 36 G 3.8701 8.6373 106.1775 44.0495 0.0000 173.1770 37 A 3.8771 7.3394 122.9047 51.7458 18.6716 178.3203 38 L 4.4055 8.3718 121.1574 56.0728 42.3530 176.9323 39 R 4.5508 7.1985 112.4954 53.0862 32.4971 173.8735 40 Y 3.2992 7.6381 120.0042 57.1861 39.0107 174.6071 41 D 4.3855 7.6902 126.0151 51.9311 42.9000 175.4499 42 A 3.5238 8.4120 130.5330 54.4512 18.4423 177.5313 43 D 4.7476 7.8029 113.3780 53.9288 41.2821 176.0928 44 D 4.7361 7.8121 120.0020 52.8490 40.4438 175.1918 45 D 4.9564 8.2213 118.6359 51.9213 44.0614 176.6141 46 Y 4.5528 8.6335 122.5788 59.6803 37.9629 176.4558 47 P 4.1925 0.0000 0.0000 65.5694 31.3835 178.2164 48 A 3.8438 7.5694 118.7369 55.1391 18.2843 179.5782 49 F 4.4238 7.5184 115.8085 60.8229 39.0711 177.6257 50 C 4.3217 8.3355 116.4989 62.7325 27.9553 176.1590 51 I 3.7282 8.2434 121.6951 64.1538 36.6784 178.3520 52 A 3.9433 8.1567 121.4443 55.1200 18.2588 179.5728 53 A 3.9937 8.2249 119.0844 55.3216 18.5096 179.7991 54 A 3.9741 8.2273 119.3657 55.3932 18.4418 180.0034 55 T 3.7626 8.0683 114.4234 66.9994 68.3519 177.1948 56 R 3.6954 7.6037 118.4317 59.1036 30.1800 179.1195 57 T 4.0095 7.4761 116.9773 66.1765 68.3207 177.0543 58 V 3.6049 7.5915 118.3818 65.6228 31.6138 177.1689 59 A 4.4665 7.7518 118.3483 52.1260 19.1888 176.7335 60 D 4.7019 7.7359 117.4630 50.8872 41.7358 172.5898 61 P 4.3948 0.0000 0.0000 64.0398 31.8108 177.3897 62 G 3.9619 9.0970 111.2342 45.1307 0.0000 173.1231 63 S 4.8465 7.8033 114.8401 57.7856 65.4434 172.7858 64 L 5.0806 8.6948 119.6307 53.2718 46.3019 175.6254 65 G 4.7033 9.4088 105.6572 45.2679 0.0000 172.0596 66 I 5.1582 9.1344 121.9888 59.3940 41.6520 174.6881 67 V 5.0314 8.7792 119.8438 59.4908 34.6327 174.6342 68 L 5.1974 8.6697 124.5045 53.3568 44.6415 176.5278 69 G 3.8721 7.9144 108.6150 45.5670 0.0000 172.5042 70 G 3.7750 9.0755 106.3624 49.0262 0.0000 176.2490 71 S 4.4594 8.2448 115.2183 57.2076 64.5216 175.9529 72 G 4.0265 8.1426 109.0200 45.6129 0.0000 175.0294 73 N 4.4094 8.2530 117.9588 56.1614 38.6239 177.4190 74 G 3.4774 7.8224 106.6149 47.7654 0.0000 175.4444 75 E 3.9392 7.6048 120.5034 59.1956 29.5473 179.2825 76 Q 4.0716 8.1186 117.7297 59.1698 28.4247 178.4747 77 I 3.6736 7.5837 120.8239 64.1059 37.5109 177.9105 78 A 4.1806 8.2330 121.2096 55.2468 18.3584 179.4636 79 A 3.9972 8.1765 119.3091 55.4961 18.2580 179.4037 80 N 4.5059 8.2972 113.3669 55.4431 38.6844 177.1537 81 K 4.2431 7.7400 119.1190 57.0941 32.6381 177.3740 82 V 3.7116 7.3760 120.8859 61.5784 31.8935 173.4973 83 P 4.9544 0.0000 0.0000 63.7473 31.4946 176.7751 84 G 3.9136 9.0567 111.1272 45.2115 0.0000 173.4884 85 A 4.2475 7.5453 122.6148 51.6694 19.4101 177.2676 86 R 4.6100 9.2748 120.4122 54.7064 33.5833 174.1532 87 C 5.6040 9.7475 125.6565 56.6565 33.2642 173.5058 88 A 4.4338 8.5254 128.1873 51.3203 20.4470 175.3837 89 L 4.8723 8.4273 121.3089 53.7263 43.2017 175.5959 90 A 4.6316 8.6998 129.9185 50.1076 19.7837 176.3409 91 W 4.8360 8.0730 118.5014 55.9939 29.0580 175.7499 92 S 4.4167 7.0234 112.7428 56.5930 65.9053 175.7837 93 V 3.5081 8.0272 121.6636 66.1013 31.1005 177.8737 94 Q 3.8357 7.7336 119.0320 59.4009 29.0171 178.2177 95 T 3.7185 7.4763 110.5492 64.4105 68.5170 176.5479 96 A 3.9895 7.9037 123.5873 54.8379 18.3210 179.5365 97 A 4.0198 7.9923 119.2821 55.4370 18.5113 179.9285 98 L 3.8384 8.1552 117.4873 57.6845 41.5104 179.5654 99 A 4.0578 8.0656 120.9208 55.2142 18.1750 180.0082 100 R 3.8949 7.7764 115.0757 59.4535 29.9219 178.9309 101 E 4.2444 8.5591 119.2336 59.3651 29.4645 177.9706 102 H 4.3634 8.6239 114.6239 56.8492 29.8668 175.7008 103 N 4.6750 8.1730 114.4183 52.3218 39.4660 173.9303 104 N 3.8074 8.0820 115.3023 53.6241 37.3349 173.9761 105 A 4.1617 7.9465 119.5659 52.5548 19.0146 178.5682 106 Q 4.3765 8.7399 121.8917 57.5809 30.3372 175.7589 107 L 6.1755 8.4067 118.1985 51.6706 46.2282 175.6116 108 I 4.8136 7.6759 113.6112 59.0231 41.2134 174.2940 109 G 4.2542 9.0283 111.6142 45.2664 0.0000 172.6524 110 I 4.8205 8.5051 123.4924 59.2103 41.3077 175.2436 111 G 3.8382 8.2495 113.8826 43.8376 0.0000 174.1786 112 G 3.8455 8.9695 117.9829 48.3486 0.0000 173.8639 113 R 4.1438 7.8241 116.6808 57.8847 30.2079 177.0004 114 M 4.3306 7.9091 116.7006 55.7033 32.6583 175.6063 115 H 5.1480 7.4961 114.3012 53.0195 33.3097 173.8881 116 T 4.1602 8.6212 112.9053 61.3699 70.5764 175.8359 117 V 3.5480 8.3305 120.8144 66.1919 31.5748 177.9293 118 A 3.9492 7.9700 119.8309 55.3546 18.2711 179.2899 119 E 3.8953 8.2103 116.7845 59.4470 29.5365 179.5110 120 A 3.9198 8.0846 120.7865 55.2056 18.4440 179.7657 121 L 3.9159 8.2480 117.5211 57.6612 41.5804 179.6243 122 A 4.0099 7.9592 120.8889 54.9084 18.2881 179.7033 123 I 3.5915 7.7500 118.4811 64.5272 37.2122 178.7139 124 V 3.6842 7.8456 118.9621 66.1520 31.1653 177.7587 125 D 4.3893 8.3707 118.3848 57.4326 40.5925 178.6338 126 A 4.0111 8.0666 121.2490 55.0580 18.1066 179.5084 127 F 4.2186 8.0302 118.3047 61.4551 39.6790 177.2580 128 V 3.6637 7.7725 109.2077 62.3429 31.7228 177.2231 129 T 4.5085 7.3582 108.0111 60.9384 70.0974 174.4212 130 T 4.2095 7.1197 119.6237 61.9913 69.0541 172.8896 131 P 4.4756 0.0000 0.0000 61.7207 32.2743 175.9534 132 W 4.9637 8.9260 130.4240 57.0252 31.1220 176.3720 133 S 3.8856 8.2682 120.7491 59.3170 62.6158 175.2361 134 K 2.6762 5.6600 116.2736 56.3673 29.6037 175.8290 135 A 3.9888 6.7782 121.0750 51.5177 19.9963 178.6152 136 Q 3.9107 8.6341 124.5007 59.6289 29.2341 179.7491 137 R 3.9174 7.8380 116.2276 59.5105 29.4788 178.3625 138 H 4.4252 7.9820 116.5557 58.8278 28.8009 177.3430 139 Q 4.2510 8.4689 121.5062 59.1624 28.9158 178.1226 140 R 3.9232 8.4266 120.1547 59.5922 30.1095 178.8073 141 R 4.0021 8.0605 117.5631 59.2718 29.9900 179.0506 142 I 3.7367 7.8950 119.7010 64.5270 37.0990 178.2467 143 D 4.3806 8.5080 120.0147 57.2882 40.6120 178.9190 144 I 3.7440 7.8836 120.3751 64.3512 37.1647 178.2381 145 L 4.0420 7.9840 120.9532 58.1645 42.0395 178.8726 146 A 4.0459 8.3988 121.0717 55.0701 17.9795 179.2621 147 E 3.9347 8.3882 118.0457 59.4625 29.6983 178.4013 148 Y 4.0890 8.1940 119.7948 60.6937 38.9791 177.7987 149 E 3.9264 8.4630 119.6384 59.3263 29.3011 179.3397 150 R 3.8703 7.7304 117.7268 58.7084 30.0268 176.9173 151 T 4.3172 7.3970 110.6684 60.7695 69.2989 173.6783 152 H 3.8844 7.9242 116.5178 56.2983 26.9365 174.1476 153 E 4.4340 7.4434 118.5081 54.3628 29.5229 176.2540 154 A 4.2069 8.7543 128.1229 51.3781 18.8911 175.2766 155 P 4.4524 0.0000 0.0000 61.6599 32.0812 174.7120 156 P 4.3265 0.0000 0.0000 62.9392 31.8088 175.6075 157 V 4.0954 8.0972 120.0988 60.7817 32.5021 173.7256 158 P 3.9486 0.0000 0.0000 62.9532 31.7287 176.2424 *159 G 3.7274 8.6223 110.4955 45.8631 0.0000 172.3923 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 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 4 M 8.12 4.24 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 5 R 8.00 4.49 0.00 1.77 1.56 0.00 3.09 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 6 V 8.27 4.75 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 0.91 0.00 0.00 0.94 0.00 0.00 7 Y 8.99 4.91 0.00 3.10 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 8 L 8.52 5.90 0.00 1.61 1.52 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.32 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 10 A 8.33 5.04 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 11 D 8.39 4.61 0.00 3.34 3.25 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 12 H 9.00 3.89 0.00 2.71 3.22 0.00 5.27 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 8.12 4.06 1.30 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 14 G 8.05 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 0.00 0.00 0.00 15 Y 7.77 4.06 0.00 3.18 3.30 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 16 E 8.32 3.84 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 2.58 2.34 0.00 17 L 7.82 3.91 0.00 1.75 1.78 0.90 0.60 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 8.20 3.82 0.00 1.87 1.84 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.44 7.81 19 Q 7.74 3.82 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 1.44 2.09 0.00 20 R 7.85 3.92 0.00 1.99 1.94 0.00 3.09 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 21 I 7.88 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 1.51 0.83 0.92 0.00 0.00 22 I 7.93 3.66 1.97 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 1.38 0.63 0.89 0.00 0.00 23 E 8.04 3.92 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 24 H 8.29 4.20 0.00 3.35 3.46 0.00 5.83 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 8.23 4.12 0.00 1.86 1.71 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.05 4.06 0.00 1.99 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 27 Q 8.01 4.12 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 28 T 7.61 4.46 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 1.12 0.00 0.00 29 G 7.91 3.89 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 0.00 0.00 0.00 30 H 7.84 4.69 0.00 3.11 3.40 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.26 4.61 0.00 1.94 1.74 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 2.12 2.17 0.00 32 P 0.00 4.81 0.00 2.08 2.01 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.19 0.00 33 I 8.80 4.39 1.39 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.61 1.02 0.00 0.00 34 D 8.78 4.86 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 9.29 4.44 0.00 3.13 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 36 G 8.64 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 37 A 7.34 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.37 4.41 0.00 1.69 1.79 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.20 4.55 0.00 1.75 1.81 0.00 2.59 0.00 0.00 3.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 40 Y 7.64 3.30 0.00 2.55 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 41 D 7.69 4.39 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 8.41 3.52 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 43 D 7.80 4.75 0.00 2.64 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 44 D 7.81 4.74 0.00 2.96 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 45 D 8.22 4.96 0.00 2.49 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 46 Y 8.63 4.55 0.00 3.36 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 0.00 47 P 0.00 4.19 0.00 1.93 1.98 0.00 3.14 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.18 0.00 48 A 7.57 3.84 0.92 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 0.00 0.00 49 F 7.52 4.42 0.00 3.38 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 8.34 4.32 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.24 3.73 1.90 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 1.46 0.69 0.89 0.00 0.00 52 A 8.16 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 8.22 3.99 1.50 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 0.00 0.00 54 A 8.23 3.97 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 8.07 3.76 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 1.16 0.00 0.00 56 R 7.60 3.70 0.00 1.24 0.95 0.00 3.17 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 57 T 7.48 4.01 4.37 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 1.32 0.00 0.00 58 V 7.59 3.60 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 0.78 0.00 0.00 1.00 0.00 0.00 59 A 7.75 4.47 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 60 D 7.74 4.70 0.00 2.86 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 61 P 0.00 4.39 0.00 2.10 2.01 0.00 3.78 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 2.05 2.11 0.00 62 G 9.10 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 63 S 7.80 4.85 0.00 4.31 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 0.00 64 L 8.69 5.08 0.00 1.64 1.84 0.46 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.41 4.70 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 66 I 9.13 5.16 1.88 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 1.14 0.97 0.88 0.00 0.00 67 V 8.78 5.03 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 0.89 0.00 0.00 0.97 0.00 0.00 68 L 8.67 5.20 0.00 1.49 1.52 0.89 0.59 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 7.91 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 70 G 9.08 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.24 4.46 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 8.14 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 73 N 8.25 4.41 0.00 2.71 2.82 0.00 0.00 6.77 7.01 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 74 G 7.82 3.48 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 0.00 75 E 7.60 3.94 0.00 2.11 1.96 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 2.46 2.24 0.00 76 Q 8.12 4.07 0.00 2.33 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.72 0.00 77 I 7.58 3.67 2.09 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 8.23 4.18 1.55 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 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.18 4.00 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 80 N 8.30 4.51 0.00 2.94 2.92 0.00 0.00 7.10 8.44 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 81 K 7.74 4.24 0.00 1.90 1.88 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.74 1.61 7.81 82 V 7.38 3.71 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 0.94 0.00 0.00 1.01 0.00 0.00 83 P 0.00 4.95 0.00 2.06 1.98 0.00 3.79 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 84 G 9.06 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 0.00 0.00 0.00 85 A 7.55 4.25 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 86 R 9.27 4.61 0.00 1.78 1.80 0.00 3.09 0.00 0.00 3.02 7.13 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 9.75 5.60 0.00 2.91 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 88 A 8.53 4.43 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 8.43 4.87 0.00 1.70 1.69 1.08 1.14 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 90 A 8.70 4.63 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 8.07 4.84 0.00 3.61 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 7.02 4.42 0.00 3.68 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 93 V 8.03 3.51 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 0.89 0.00 0.00 94 Q 7.73 3.84 0.00 2.02 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 2.28 2.32 0.00 95 T 7.48 3.72 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 0.58 0.00 0.00 96 A 7.90 3.99 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 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 98 L 8.16 3.84 0.00 1.62 1.62 0.83 0.97 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 8.07 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.78 3.89 0.00 2.08 2.11 0.00 3.39 0.00 0.00 2.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 101 E 8.56 4.24 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 102 H 8.62 4.36 0.00 3.25 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.17 4.67 0.00 2.90 2.83 0.00 0.00 7.04 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 8.08 3.81 0.00 1.44 1.92 0.00 0.00 7.01 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 7.95 4.16 1.44 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 0.00 106 Q 8.74 4.38 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 107 L 8.41 6.18 0.00 1.57 1.49 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.68 4.81 1.52 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.13 0.34 0.00 0.00 109 G 9.03 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 0.00 110 I 8.51 4.82 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 1.09 0.88 0.92 0.00 0.00 111 G 8.25 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 0.00 112 G 8.97 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 0.00 0.00 0.00 113 R 7.82 4.14 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.23 7.31 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 7.91 4.33 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.80 0.00 115 H 7.50 5.15 0.00 3.22 3.13 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 8.62 4.16 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 8.33 3.55 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 1.10 0.00 0.00 0.92 0.00 0.00 118 A 7.97 3.95 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 0.00 119 E 8.21 3.90 0.00 2.23 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 3.92 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 0.00 121 L 8.25 3.92 0.00 1.57 1.43 0.78 0.85 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 7.96 4.01 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 7.75 3.59 1.97 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.74 0.84 0.00 0.00 124 V 7.85 3.68 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 1.11 0.00 0.00 1.00 0.00 0.00 125 D 8.37 4.39 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 8.07 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 0.00 127 F 8.03 4.22 0.00 3.03 3.30 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 0.00 128 V 7.77 3.66 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 0.86 0.00 0.00 0.96 0.00 0.00 129 T 7.36 4.51 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 1.25 0.00 0.00 130 T 7.12 4.21 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 131 P 0.00 4.48 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 132 W 8.93 4.96 0.00 3.27 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 0.00 133 S 8.27 3.89 0.00 3.84 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 0.00 134 K 5.66 2.68 0.00 1.55 1.65 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.81 1.02 7.81 135 A 6.78 3.99 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 0.00 136 Q 8.63 3.91 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 137 R 7.84 3.92 0.00 2.05 2.12 0.00 2.96 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 138 H 7.98 4.43 0.00 3.55 3.96 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 8.47 4.25 0.00 2.47 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 140 R 8.43 3.92 0.00 2.04 2.12 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 8.06 4.00 0.00 2.16 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 1.76 0.00 142 I 7.89 3.74 2.05 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 1.43 0.79 0.86 0.00 0.00 143 D 8.51 4.38 0.00 2.90 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 7.88 3.74 2.05 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 1.44 0.79 0.94 0.00 0.00 145 L 7.98 4.04 0.00 1.81 1.84 0.98 1.04 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 8.40 4.05 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 0.00 147 E 8.39 3.93 0.00 2.22 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 0.00 2.34 2.40 0.00 148 Y 8.19 4.09 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.46 3.93 0.00 2.27 1.96 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 2.40 2.55 0.00 150 R 7.73 3.87 0.00 1.95 2.08 0.00 3.18 0.00 0.00 3.29 7.58 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 7.40 4.32 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 1.25 0.00 0.00 152 H 7.92 3.88 0.00 3.09 3.17 0.00 5.71 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 7.44 4.43 0.00 1.95 1.96 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 2.30 2.41 0.00 154 A 8.75 4.21 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 0.00 155 P 0.00 4.45 0.00 2.20 2.11 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 156 P 0.00 4.33 0.00 2.21 2.11 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 157 V 8.10 4.10 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 3.95 0.00 2.08 2.02 0.00 3.76 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 2.04 2.14 0.00 *159 G 8.62 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.