NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9685 8.0027 118.3422 58.5653 39.7288 173.5187 2 T 4.4779 8.8570 116.2387 61.5124 70.5039 172.7671 3 G 4.1799 9.1209 114.6063 45.0923 0.0000 173.6633 4 F 4.2801 8.5861 123.6595 58.2280 40.2261 174.0831 5 T 4.8188 6.9936 116.6385 58.4155 73.1542 172.9030 6 P 4.0232 0.0000 0.0000 65.8243 30.9453 178.4814 7 E 3.9452 7.9192 116.5306 59.4638 30.0487 178.7016 8 R 3.9761 7.7951 118.0607 59.1834 30.1322 178.4521 9 Y 4.4212 7.6175 119.2984 60.7770 38.6787 177.3696 10 N 4.5157 8.5894 117.0047 56.1630 39.1191 176.6495 11 K 4.1255 7.6960 118.7759 57.6096 32.4357 177.1959 12 I 3.9595 6.7844 120.1433 60.3939 37.8180 175.2507 13 Q 4.2533 7.8246 122.6176 53.3596 32.5874 175.1432 14 F 3.5903 7.7934 118.7637 58.7307 39.2678 173.5974 15 G 3.4494 7.6309 114.3975 46.1427 0.0000 172.9371 *17 D 4.6724 7.7295 123.1842 53.9620 43.6678 175.4175 18 R 3.4601 8.4554 123.2384 59.9963 30.0358 179.2109 19 T 3.8106 7.7263 108.7383 64.6097 68.6225 176.1130 20 L 4.0008 7.7634 122.7721 57.7941 42.2582 178.7927 21 V 3.4699 8.0895 118.4825 65.6369 31.3977 177.6059 22 W 4.2820 8.4673 128.2771 60.7591 30.5019 177.9181 23 Q 3.9661 8.1595 117.3897 59.1471 28.0096 178.9393 24 L 4.0506 8.0894 118.4999 57.2973 41.7000 178.7797 25 A 4.5804 7.9102 119.3251 52.3343 18.8140 177.7472 26 G 3.9190 8.7296 103.8662 44.7724 0.0000 174.9052 27 A 2.0000 7.7529 123.9070 52.4994 17.6346 180.2613 28 D 4.5452 8.6183 114.1726 58.2974 41.4250 177.7009 29 Q 4.2270 7.9671 118.1651 58.3854 28.4652 177.7232 30 S 4.9955 7.7860 112.3371 57.5566 65.8889 174.7447 31 C 4.8316 8.0183 115.2756 54.7793 44.8563 173.4804 32 S 4.7685 8.7186 115.6859 56.5631 65.0335 172.3918 33 D 4.9263 8.9941 126.6939 53.2880 41.2758 175.3320 34 Q 4.4229 8.7584 125.5271 55.4842 27.7880 176.4734 35 V 3.7370 8.5127 124.2897 63.7095 31.5636 173.9205 36 E 4.3104 8.0464 118.4103 58.9757 29.9130 176.1546 37 R 4.5663 7.2462 111.8767 55.4467 33.2024 173.7233 38 I 4.8923 8.5382 121.0679 59.7976 39.7484 174.8324 39 I 4.3967 8.4568 126.9717 59.4375 39.9765 173.8718 40 C 5.0103 8.3098 123.9983 55.0696 44.4271 172.5114 41 Y 4.9731 8.6351 120.6753 56.1674 40.0231 176.5508 42 N 5.2165 9.5679 122.3699 56.2087 40.2104 174.2698 43 N 5.2946 7.9003 112.3618 51.5002 39.9449 172.6200 44 P 4.4186 0.0000 0.0000 64.0084 31.5664 177.6154 45 D 4.5269 7.9720 119.0811 54.2591 38.7781 175.7984 46 H 4.6516 7.9881 116.2031 56.4782 28.5576 175.7633 47 Y 5.0099 8.1803 117.2905 58.3855 38.9101 176.7661 48 G 4.2691 8.0628 111.7799 44.2631 0.0000 171.4762 49 P 4.5797 0.0000 0.0000 63.2890 32.2485 175.6264 50 Q 4.9268 8.4300 119.0361 55.4818 31.7246 172.7892 51 G 4.0461 8.4039 107.5944 44.6370 0.0000 171.6686 52 H 4.9440 8.6836 120.0981 53.4325 32.0663 172.8838 53 F 5.5101 8.6815 121.4461 55.7287 42.3596 174.2303 54 F 5.3521 9.1939 121.1499 55.7804 42.7932 174.0755 55 F 5.3956 9.0527 119.4689 55.4234 42.9568 174.5817 56 N 4.7655 8.9779 118.6492 51.9442 38.2407 176.0284 57 A 3.9960 8.5908 120.4421 55.0428 18.3762 178.2769 58 A 4.2962 8.2161 116.2639 52.1479 18.6273 176.7185 59 D 4.4948 8.3223 115.8518 55.6341 39.1824 173.2966 60 K 4.8884 8.3132 117.6423 54.2570 34.2628 175.8407 61 L 4.0386 8.5251 125.7415 55.2635 42.7698 176.7744 62 I 4.8053 8.6966 118.1683 60.8901 40.0354 174.6212 63 H 5.4784 8.0604 123.2724 55.4494 33.1345 171.8884 64 K 5.3820 9.5310 125.4798 54.8946 35.1620 175.2608 65 R 5.3287 8.8826 123.0599 55.5945 34.2050 174.1091 66 Q 4.4610 8.5088 119.7865 55.3701 31.1967 174.6877 *68 E 4.3001 8.8742 119.0549 56.4456 31.3540 177.4874 69 L 3.8758 7.9859 119.7510 56.7459 42.1113 177.1546 70 F 4.7621 8.4288 117.0060 54.4119 39.2203 172.7301 71 P 4.4581 0.0000 0.0000 61.6873 32.2792 177.1815 72 A 4.1445 8.5311 123.0084 52.0289 18.6423 176.3353 73 P 4.4898 0.0000 0.0000 65.0741 31.7808 177.0315 74 K 4.5316 8.3092 118.2216 53.2182 32.5333 172.0626 75 P 4.5849 0.0000 0.0000 62.7405 31.9208 176.4381 76 T 4.4898 8.6411 113.8088 59.2051 71.8681 174.2515 *78 R 4.1621 8.3326 123.7021 55.6540 32.7439 176.4304 79 L 4.1143 8.6927 122.1525 58.1919 41.8008 179.3751 80 A 4.0743 7.9848 119.8733 55.2656 18.6347 179.2837 81 T 3.9813 7.8949 114.0081 66.9461 68.6836 176.2056 82 Y 4.2341 8.2592 121.4847 60.8290 38.5809 177.8774 83 N 4.3884 8.3245 116.4866 55.7949 38.6919 177.0398 84 K 4.0893 7.8396 119.0241 57.4416 32.4253 177.1396 85 T 4.4252 6.8842 109.7046 60.5130 70.2706 174.0838 86 Q 4.5502 8.0141 119.6263 54.5251 31.4751 174.5457 87 T 3.8927 8.2116 110.0333 63.2793 69.4057 172.7989 88 G 3.4195 8.5942 112.3833 46.4786 0.0000 173.0953 *90 T 4.5971 7.2498 115.0136 61.7551 71.2879 174.6685 91 E 3.4163 8.4953 119.9859 59.4541 29.2261 179.5569 92 A 4.1506 7.9644 120.2150 55.3160 18.3690 179.5631 93 Q 3.9586 8.3436 116.6828 58.8598 28.7096 178.6872 94 F 3.9901 8.4315 121.9294 61.0860 39.2993 176.8945 95 W 4.5789 8.2688 116.7766 57.5297 29.0824 177.8260 96 A 4.1476 7.6899 120.4430 54.0322 17.9689 178.5088 97 A 4.3935 7.1158 116.6237 51.4519 19.7585 177.3062 98 V 4.0986 7.0248 117.7616 59.8222 33.7522 173.0458 99 P 4.5257 0.0000 0.0000 62.4852 32.1216 177.0089 100 S 3.8786 8.9209 116.7060 61.5916 62.3608 175.8988 101 D 4.4041 8.0606 118.9027 56.7378 40.8100 177.1251 102 T 4.6758 8.0153 112.3349 61.2361 67.6213 172.9961 103 C 5.5492 8.3010 117.0754 55.8615 40.3715 172.9262 104 S 5.0044 9.3033 117.4617 56.7362 64.2625 173.5979 105 A 4.6314 8.8629 128.6940 52.1552 16.6172 176.9076 106 L 4.2608 9.0125 123.5207 58.1940 43.3021 176.2491 107 A 5.2607 7.6028 118.1971 50.7741 23.0732 174.2766 108 E 4.9324 9.4136 119.9780 54.6987 33.4612 174.4384 109 Q 4.7754 8.5733 124.2585 54.5498 33.7229 173.7712 110 Y 4.8516 8.8626 120.2276 55.1194 37.9298 174.2128 111 P 4.3144 0.0000 0.0000 65.0528 32.2425 177.1712 112 N 4.8961 8.1251 113.7087 52.4331 38.7685 174.1516 113 W 4.6848 8.3641 128.2534 56.7743 30.9123 174.2322 114 P 2.9700 0.0000 0.0000 62.7453 31.3691 176.0672 115 A 4.1299 7.8593 123.5679 52.0497 19.3057 178.0684 116 T 4.6880 7.9896 109.3568 61.0717 69.6057 174.5473 117 N 4.5584 7.9197 119.6466 54.3654 37.8489 174.7430 118 G 3.8547 9.3620 107.1614 46.1262 0.0000 173.2997 119 N 4.4611 8.4033 119.2347 53.3425 40.1757 173.6640 120 L 5.1718 8.5728 125.7765 52.8493 45.2115 175.3734 121 R 4.8148 9.0057 123.3579 54.6320 33.1404 173.6095 122 E 5.2215 8.9345 126.1558 54.7692 32.8831 174.8298 123 Y 5.5035 9.1825 120.2776 56.2977 42.5141 174.5971 124 V 4.8280 8.8660 121.4790 61.4485 35.0763 173.8021 125 C 5.8236 9.4780 124.9920 53.5196 42.4938 171.7793 126 P 5.5235 0.0000 0.0000 61.4454 31.9444 176.6529 127 S 4.3796 8.6966 115.4723 60.1097 63.5488 173.8512 128 K 4.4326 7.4053 117.6223 55.7646 34.7150 175.2644 129 A 4.1291 8.4260 121.4832 54.2135 18.4406 177.9614 130 E 4.0503 7.9642 117.1043 55.9407 30.4825 177.3854 131 R 3.9285 8.5581 124.5310 59.4074 30.1387 178.2083 132 F 5.1857 7.4217 113.8936 57.3768 39.5609 176.0381 133 A 4.2970 7.4814 121.9903 51.0504 19.3214 176.6000 134 P 4.5385 0.0000 0.0000 63.6999 32.7437 175.6227 135 S 4.9901 8.6509 116.7837 57.3922 68.0492 172.8857 136 A 4.9015 8.5940 123.0487 50.7396 22.1449 175.5967 137 Y 5.0361 8.0031 115.9735 56.4724 42.4301 174.7185 138 F 5.3865 9.3385 121.7693 56.1124 43.9440 173.8268 139 T 5.0318 8.7346 118.4947 61.9142 72.1823 172.8495 140 F 5.0779 9.5160 125.3610 56.0434 42.1629 174.8395 141 T 4.8411 8.8496 119.5030 62.2158 70.7763 174.4233 142 D 4.1784 10.1028 128.5108 55.2622 39.2528 174.9491 143 G 4.0363 8.7229 105.0725 44.9780 0.0000 173.4901 144 K 4.7580 8.0175 119.0099 53.9269 35.2985 175.0644 145 L 3.7934 8.4958 125.4570 55.3122 42.2403 176.8070 146 T 4.6387 8.6654 116.8934 61.8497 71.1996 174.8716 147 S 4.8467 7.7314 117.7867 56.5608 67.1420 173.2509 148 R 5.1956 8.4867 119.7720 54.8661 32.3626 174.2116 149 S 4.8936 8.7755 115.6409 57.7520 66.7711 173.0508 150 Q 4.8494 8.2104 117.5451 54.8569 31.1177 173.7396 151 S 4.4485 8.9655 116.4319 56.8604 64.7399 173.7184 152 Q 3.3233 8.9082 125.8889 56.4769 26.3686 174.1056 153 L 4.0763 7.7290 116.8683 54.3755 42.3761 175.8199 154 P 4.4372 0.0000 0.0000 63.0480 31.5982 175.9100 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 1 Y 8.00 4.97 0.00 3.05 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 2 T 8.86 4.48 4.29 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 1.26 0.00 0.00 3 G 9.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.59 4.28 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 6.99 4.82 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 1.16 0.00 0.00 6 P 0.00 4.02 0.00 2.01 1.41 0.00 3.41 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 7 E 7.92 3.95 0.00 1.92 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 2.29 2.33 0.00 8 R 7.80 3.98 0.00 1.23 1.82 0.00 3.05 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 9 Y 7.62 4.42 0.00 3.28 3.34 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 10 N 8.59 4.52 0.00 2.94 3.07 0.00 0.00 7.30 7.46 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 11 K 7.70 4.13 0.00 1.96 1.81 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.63 7.81 12 I 6.78 3.96 1.68 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.38 0.16 0.00 0.00 13 Q 7.82 4.25 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 14 F 7.79 3.59 0.00 1.64 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 15 G 7.63 3.45 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 0.00 *17 D 7.73 4.67 0.00 2.74 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 18 R 8.46 3.46 0.00 1.11 1.55 0.00 2.95 0.00 0.00 2.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 19 T 7.73 3.81 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 1.11 0.00 0.00 20 L 7.76 4.00 0.00 1.80 1.89 0.93 0.89 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 21 V 8.09 3.47 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 0.60 0.00 0.00 0.97 0.00 0.00 22 W 8.47 4.28 0.00 3.43 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 23 Q 8.16 3.97 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 24 L 8.09 4.05 0.00 1.56 1.71 0.87 0.95 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 25 A 7.91 4.58 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 26 G 8.73 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 0.00 0.00 0.00 27 A 7.75 2.00 1.03 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 28 D 8.62 4.55 0.00 2.79 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 29 Q 7.97 4.23 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 30 S 7.79 5.00 0.00 3.80 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 31 C 8.02 4.83 0.00 1.56 2.55 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 32 S 8.72 4.77 0.00 3.43 3.56 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 33 D 8.99 4.93 0.00 2.06 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 0.00 0.00 0.00 0.00 34 Q 8.76 4.42 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.60 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 35 V 8.51 3.74 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 0.87 0.00 0.00 0.88 0.00 0.00 36 E 8.05 4.31 0.00 2.02 1.99 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 2.43 2.46 0.00 37 R 7.25 4.57 0.00 1.05 0.98 0.00 2.55 0.00 0.00 2.61 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.25 0.00 38 I 8.54 4.89 2.19 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 1.23 0.00 0.00 39 I 8.46 4.40 1.53 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.48 -0.00 0.00 0.00 40 C 8.31 5.01 0.00 1.34 2.34 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 41 Y 8.64 4.97 0.00 3.10 2.97 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 42 N 9.57 5.22 0.00 2.94 2.98 0.00 0.00 6.62 6.21 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 43 N 7.90 5.29 0.00 2.83 2.78 0.00 0.00 6.43 7.75 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 44 P 0.00 4.42 0.00 1.98 2.03 0.00 3.72 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 45 D 7.97 4.53 0.00 2.72 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 46 H 7.99 4.65 0.00 2.80 2.68 0.00 5.76 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.18 5.01 0.00 3.27 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.06 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.58 0.00 2.12 2.09 0.00 3.70 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 50 Q 8.43 4.93 0.00 1.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 51 G 8.40 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 H 8.68 4.94 0.00 2.95 2.82 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.68 5.51 0.00 3.01 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 54 F 9.19 5.35 0.00 2.85 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.05 5.40 0.00 2.94 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 56 N 8.98 4.77 0.00 3.07 3.10 0.00 0.00 7.17 6.85 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 57 A 8.59 4.00 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 58 A 8.22 4.30 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 59 D 8.32 4.49 0.00 2.85 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 60 K 8.31 4.89 0.00 1.94 1.82 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.64 7.81 61 L 8.53 4.04 0.00 1.49 1.34 0.34 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.70 4.81 2.11 0.00 0.00 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 1.25 1.15 1.15 0.00 0.00 63 H 8.06 5.48 0.00 3.15 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 9.53 5.38 0.00 1.85 1.69 0.00 0.93 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.28 0.88 7.81 65 R 8.88 5.33 0.00 2.04 2.00 0.00 3.24 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 66 Q 8.51 4.46 0.00 1.78 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.42 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00 *68 E 8.87 4.30 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 69 L 7.99 3.88 0.00 1.49 1.01 1.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.43 4.76 0.00 2.96 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 71 P 0.00 4.46 0.00 2.21 2.08 0.00 3.78 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 2.00 1.96 0.00 72 A 8.53 4.14 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 73 P 0.00 4.49 0.00 2.21 2.22 0.00 3.90 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 74 K 8.31 4.53 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.53 7.81 75 P 0.00 4.58 0.00 2.01 2.12 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 76 T 8.64 4.49 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 1.28 0.00 0.00 *78 R 8.33 4.16 0.00 1.94 1.96 0.00 3.15 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 79 L 8.69 4.11 0.00 1.89 1.71 0.90 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.98 4.07 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 81 T 7.89 3.98 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 1.20 0.00 0.00 82 Y 8.26 4.23 0.00 3.19 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.32 4.39 0.00 2.94 2.89 0.00 0.00 7.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 7.84 4.09 0.00 1.74 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.70 7.81 85 T 6.88 4.43 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 86 Q 8.01 4.55 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 87 T 8.21 3.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 88 G 8.59 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 T 7.25 4.60 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 1.25 0.00 0.00 91 E 8.50 3.42 0.00 1.96 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 1.47 2.15 0.00 92 A 7.96 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.34 3.96 0.00 2.37 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 94 F 8.43 3.99 0.00 3.07 2.85 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 95 W 8.27 4.58 0.00 3.28 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 96 A 7.69 4.15 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 97 A 7.12 4.39 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.02 4.10 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 0.00 0.00 0.84 0.00 0.00 0.27 0.00 0.00 99 P 0.00 4.53 0.00 2.27 2.17 0.00 3.74 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 2.09 1.95 0.00 100 S 8.92 3.88 0.00 3.15 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.06 4.40 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.02 4.68 4.29 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 1.37 0.00 0.00 103 C 8.30 5.55 0.00 3.37 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 0.00 104 S 9.30 5.00 0.00 4.05 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 0.00 105 A 8.86 4.63 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 0.00 106 L 9.01 4.26 0.00 1.93 1.88 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.60 5.26 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 0.00 108 E 9.41 4.93 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.97 0.00 109 Q 8.57 4.78 0.00 1.74 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 1.60 2.00 0.00 110 Y 8.86 4.85 0.00 2.79 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 0.00 111 P 0.00 4.31 0.00 2.07 2.14 0.00 3.73 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 2.12 2.07 0.00 112 N 8.13 4.90 0.00 2.95 2.83 0.00 0.00 6.77 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 W 8.36 4.68 0.00 3.67 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 0.00 114 P 0.00 2.97 0.00 1.85 1.85 0.00 3.82 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 1.85 1.89 0.00 115 A 7.86 4.13 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 0.00 116 T 7.99 4.69 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 0.69 0.00 0.00 117 N 7.92 4.56 0.00 2.86 2.87 0.00 0.00 6.16 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 0.00 118 G 9.36 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 0.00 119 N 8.40 4.46 0.00 3.07 2.83 0.00 0.00 7.02 6.11 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 0.00 120 L 8.57 5.17 0.00 1.41 1.40 0.87 0.82 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 0.00 121 R 9.01 4.81 0.00 1.75 1.77 0.00 3.20 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 122 E 8.93 5.22 0.00 1.85 1.80 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 2.17 2.15 0.00 123 Y 9.18 5.50 0.00 3.15 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 0.00 124 V 8.87 4.83 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.14 0.00 0.00 125 C 9.48 5.82 0.00 3.07 3.26 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 0.00 126 P 0.00 5.52 0.00 2.31 2.06 0.00 3.69 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 127 S 8.70 4.38 0.00 4.03 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 0.00 128 K 7.41 4.43 0.00 1.85 1.81 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.43 7.81 129 A 8.43 4.13 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 0.00 130 E 7.96 4.05 0.00 1.98 1.81 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 2.30 2.23 0.00 131 R 8.56 3.93 0.00 1.29 1.40 0.00 3.06 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 132 F 7.42 5.19 0.00 3.04 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 0.00 133 A 7.48 4.30 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.54 0.00 2.09 2.15 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 135 S 8.65 4.99 0.00 3.46 3.16 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 0.00 136 A 8.59 4.90 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 0.00 137 Y 8.00 5.04 0.00 2.79 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 0.00 138 F 9.34 5.39 0.00 2.95 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 0.00 139 T 8.73 5.03 4.16 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 1.16 0.00 0.00 140 F 9.52 5.08 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.85 4.84 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 1.20 0.00 0.00 142 D 10.10 4.18 0.00 2.76 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 0.00 143 G 8.72 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 0.00 144 K 8.02 4.76 0.00 1.82 1.70 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 145 L 8.50 3.79 0.00 1.29 1.34 -0.28 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.67 4.64 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 1.18 0.00 0.00 147 S 7.73 4.85 0.00 3.67 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 0.00 148 R 8.49 5.20 0.00 1.89 2.01 0.00 3.06 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 149 S 8.78 4.89 0.00 3.86 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 0.00 150 Q 8.21 4.85 0.00 1.62 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.62 0.00 151 S 8.97 4.45 0.00 3.94 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 0.00 152 Q 8.91 3.32 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 153 L 7.73 4.08 0.00 1.70 1.59 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.44 0.00 2.22 2.15 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.