NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.1555 8.0249 121.4530 60.1451 38.7641 175.2514 6 P 4.0977 0.0000 0.0000 62.4328 31.6926 176.7785 7 K 4.1055 8.5436 124.6577 57.2794 32.7578 175.5900 8 I 3.8980 7.5942 109.3886 62.9372 37.9202 175.9702 9 I 3.9786 7.3623 123.1239 59.9152 37.2953 174.7201 10 P 4.5405 0.0000 0.0000 61.6305 33.5100 175.2038 11 P 4.2363 0.0000 0.0000 66.0948 31.2554 178.5039 12 E 3.9648 8.1597 117.3110 59.2107 29.4865 178.4715 13 L 4.0284 7.8498 120.0092 57.6938 42.2309 178.3514 14 L 3.9401 8.0187 120.5356 57.9874 42.0410 178.7896 15 K 3.8795 8.1255 119.4604 59.5342 31.8954 178.7114 16 V 3.9507 7.6601 117.0027 66.3600 31.5771 177.7529 17 L 4.2884 8.0916 117.4100 58.0062 41.4757 179.0415 18 C 4.3573 7.9999 116.4285 61.6057 29.5062 175.1070 19 E 4.2628 7.9167 120.8062 55.1699 26.8187 175.0120 *21 G 3.5408 7.6314 112.6348 45.8283 0.0000 168.7212 22 H 4.3948 8.3907 119.1190 57.9561 29.7603 175.4680 23 G 3.9301 8.9667 116.9200 45.1157 0.0000 173.3356 24 D 4.5699 7.8997 119.6877 54.7577 42.0886 175.6096 25 Q 5.4527 8.7648 119.7783 54.0916 32.5718 174.4110 26 L 5.2943 8.7924 121.3978 53.9669 44.6115 175.1600 27 V 4.6397 8.3865 119.7114 61.2142 34.1994 174.4873 28 I 4.3503 8.9375 129.5871 60.2582 38.1195 174.5168 29 A 4.4376 8.8130 130.8829 50.3542 20.7512 176.7020 30 D 4.7577 8.5555 122.0615 52.5491 41.0813 177.5708 31 G 3.7000 9.0525 107.8798 48.2551 0.0000 174.6213 32 N 4.5771 7.9479 115.4785 54.1433 39.0937 175.4176 33 F 4.3797 7.9695 121.4493 57.2387 40.6370 174.2589 34 P 4.4573 0.0000 0.0000 61.8641 29.7324 176.6246 35 A 4.3650 8.0000 127.3500 56.1452 19.3149 180.2066 36 E 4.0051 8.2176 114.5153 59.3487 29.7257 179.2937 37 S 4.2285 7.8630 113.8585 61.5471 63.1761 176.2873 38 I 3.8156 7.5894 122.7291 63.6071 37.0243 177.0977 39 G 4.0821 8.1931 107.6277 45.3345 0.0000 175.5802 40 K 3.8694 7.7829 121.8081 59.1345 32.4700 177.5198 41 N 4.7386 8.1106 113.8381 52.5786 38.7342 173.2818 42 A 4.7457 7.7565 120.7161 50.1556 22.7760 175.6186 43 I 4.0844 7.8570 118.5195 60.3514 38.5207 175.6576 44 V 4.6412 8.3276 127.7908 61.2698 32.9444 174.7929 45 V 4.3442 8.4498 128.5843 61.1921 33.2998 175.7308 46 R 4.4397 8.4940 126.8913 56.1770 31.1106 176.0528 *48 D 4.5889 8.6839 118.6078 54.1138 43.4248 177.4671 49 G 3.9389 8.1269 103.0346 46.3151 0.0000 173.4355 50 H 5.2363 8.0261 117.2943 53.3973 32.3285 173.6357 51 G 4.4327 9.3465 109.8397 43.5267 0.0000 175.5079 52 G 4.1140 8.7725 109.1481 47.1330 0.0000 176.4384 53 G 3.8158 8.2293 108.0143 47.6334 0.0000 175.4567 54 E 4.0875 8.2213 120.2150 59.0271 29.5431 179.1512 55 I 3.6429 7.7592 120.5107 63.9584 37.1139 178.0743 56 L 3.7988 8.2133 121.5379 57.9430 41.6883 178.6853 57 K 3.8548 8.2494 118.4358 59.5742 32.4760 178.2062 58 A 4.1296 7.9793 120.6818 55.3277 18.3345 179.5730 59 I 3.6247 8.0034 118.7077 64.6164 36.9729 178.6444 60 L 4.0940 8.0317 118.6006 57.2129 41.4452 179.1611 61 T 4.1452 7.6576 108.6787 63.6875 68.8577 175.2497 62 V 4.3303 7.8284 111.8097 60.3772 33.4630 174.9438 63 F 4.6522 8.0420 122.0183 55.2755 40.8976 172.1998 64 P 4.5475 0.0000 0.0000 62.4668 32.6164 175.4911 65 L 4.7227 8.4806 123.5413 54.0534 42.6936 176.2087 66 D 4.5623 8.7629 124.2120 55.1250 41.1926 176.3402 67 T 4.3392 8.9095 115.1664 62.6781 69.5877 174.8643 68 Y 4.2488 8.8218 119.5739 58.9357 38.2888 175.5396 69 V 4.6465 7.3606 112.1800 59.2479 35.4936 175.4396 70 D 4.5233 8.8120 122.0351 56.7817 40.9042 177.0590 71 K 4.5851 7.5767 117.9983 53.7404 32.4536 173.7825 72 P 4.5947 0.0000 0.0000 63.7095 33.0131 175.8262 73 A 5.2600 8.1249 123.3993 50.5273 21.9925 175.5517 74 T 5.0116 8.8875 117.6851 60.7816 72.5122 172.3018 75 L 4.9158 8.8228 127.2545 54.6916 43.0121 178.6369 *77 E 4.3617 8.8207 126.1622 56.6649 30.3807 174.7234 78 K 2.9417 8.5054 122.4268 55.7765 32.8577 177.2606 79 V 3.6905 8.4984 123.3385 62.2351 31.9461 173.6630 80 P 4.3404 0.0000 0.0000 64.7132 31.4993 176.3590 81 G 3.9096 9.0935 111.5215 45.2390 0.0000 173.0820 82 D 4.4704 7.9173 119.3462 53.3804 39.7403 175.1501 83 T 4.3102 8.0993 122.5186 62.0721 68.0572 174.8987 84 V 4.4181 7.6709 124.6135 59.5467 34.4910 174.8922 85 A 4.0490 8.3292 125.3797 52.3475 19.8119 177.8418 86 T 4.3258 7.5064 109.4714 58.7052 68.3480 173.2344 87 P 4.2136 0.0000 0.0000 66.2779 31.6751 178.2083 88 I 3.5131 7.5121 117.9957 63.2507 37.8486 177.5088 89 W 4.4029 7.9889 120.1511 60.0352 28.8297 178.0727 90 D 4.4545 8.1672 118.3533 57.1007 40.3413 178.5418 91 V 3.5995 7.4894 118.9529 66.4249 31.3797 177.4973 92 Y 4.4848 8.2759 116.3668 61.2688 37.7063 178.5881 93 A 4.1888 8.3705 121.6020 55.2703 18.2797 179.7941 94 G 3.6570 8.3134 104.0600 48.1890 0.0000 175.9012 95 L 4.1097 7.9124 120.3889 57.4445 41.8355 179.4338 96 I 3.9284 8.0752 119.9585 64.2061 35.5779 178.2104 97 K 4.0571 8.3763 120.6349 59.7383 31.6575 178.5264 98 E 4.2543 7.9014 117.9846 58.8155 29.3890 177.3902 99 H 4.7945 7.5772 113.3087 55.4907 31.3094 173.7531 100 D 4.7100 8.5876 121.6076 52.7021 43.5946 176.5270 101 E 4.0939 9.0190 122.8436 58.8246 30.2134 175.0400 102 R 4.1203 8.6335 116.8863 57.7306 31.5375 178.6252 103 G 3.7182 8.0326 106.3650 45.9340 0.0000 176.3730 104 A 4.0296 8.8098 126.4353 55.1032 18.0718 179.4442 105 D 4.4634 8.1119 113.9881 56.4389 41.1922 177.0999 106 A 4.4067 8.2633 121.5120 52.6971 18.8088 176.5135 107 I 4.6560 7.5939 117.8365 59.5505 38.5372 175.2856 108 G 4.4571 8.7242 115.6164 45.1060 0.0000 171.7473 109 S 5.2980 8.2437 112.2600 57.3116 65.8585 173.6637 110 L 4.9299 8.7088 120.3524 52.5708 45.3904 176.4912 111 E 4.0343 8.9646 122.8621 56.3335 30.5915 177.2845 112 R 3.5920 8.9027 124.4762 60.0926 29.9185 178.8698 113 F 4.1964 8.5807 116.3100 60.2945 39.0510 177.4353 114 A 4.1281 8.7633 120.7747 55.0647 18.0416 179.5048 115 F 3.9313 8.6062 119.5923 61.6753 39.5368 176.9724 116 Y 4.6391 8.0624 116.3970 61.3690 37.4521 178.5210 117 E 4.0865 8.3464 118.4535 59.4825 29.8925 178.9249 118 Q 4.0443 8.3006 119.3704 59.1404 29.1415 178.1030 119 A 3.9913 8.2783 122.0716 55.0170 18.1932 179.6387 120 K 4.2874 8.1373 116.0025 58.8358 32.1559 178.1063 121 N 4.7190 7.7867 114.5662 52.1756 39.2392 175.2072 122 A 4.2452 7.1611 124.0733 52.0721 19.3929 177.2859 123 Y 4.3023 8.9177 122.4445 60.4903 40.2009 175.4345 124 C 5.0828 8.0153 117.9178 57.6977 35.7298 172.7126 125 V 4.7505 8.8434 125.6502 61.2104 33.9063 174.0765 126 I 4.6502 9.0771 129.3882 60.0518 38.7199 175.0185 127 A 4.6762 8.8626 131.3734 50.8403 18.0236 176.9345 128 S 4.3767 8.7662 116.8401 58.2259 64.9269 174.3858 129 G 4.5141 8.4104 104.4316 45.1561 0.0000 173.6988 130 E 4.1165 8.5056 123.1715 56.2993 29.8296 177.7428 131 S 4.4123 8.6094 119.9700 59.0704 64.1251 174.5079 132 A 4.0443 8.1267 124.8550 52.4026 18.5831 177.2046 133 Q 4.2532 8.4196 120.5892 56.0294 30.0187 174.7986 134 Y 3.5896 7.7854 113.9861 59.4959 35.4426 171.0894 135 A 4.8375 8.2168 119.4673 52.1048 19.6354 178.0211 136 N 4.7721 7.8739 114.3553 53.7487 39.6447 174.6266 137 L 4.8333 8.8773 124.1725 53.9256 45.8809 174.5508 138 I 4.6554 8.8873 127.8355 60.1472 39.1110 174.6839 139 L 5.1567 8.9800 126.7408 52.9092 44.9293 175.0125 140 Q 5.1228 8.9974 124.8423 54.1746 31.3251 174.4519 141 K 3.8465 9.2678 128.9519 56.3800 33.4952 176.7702 142 G 3.8642 8.3143 115.0373 45.1772 0.0000 172.8831 143 V 3.6740 7.9396 119.0879 61.4289 32.5333 176.6460 144 V 3.9561 7.6637 125.7921 61.3732 31.4306 175.7672 145 F 4.3298 8.6201 125.2531 57.7671 38.8992 175.8656 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 5 I 8.02 4.16 1.88 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 1.42 1.07 0.92 0.00 0.00 6 P 0.00 4.10 0.00 2.25 1.99 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.15 0.00 7 K 8.54 4.11 0.00 1.77 1.73 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 8 I 7.59 3.90 1.64 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.87 0.00 0.00 9 I 7.36 3.98 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.91 0.00 0.00 10 P 0.00 4.54 0.00 2.27 2.18 0.00 3.71 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 2.07 2.05 0.00 11 P 0.00 4.24 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 12 E 8.16 3.96 0.00 2.04 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 2.38 2.38 0.00 13 L 7.85 4.03 0.00 1.80 1.78 0.92 0.51 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 14 L 8.02 3.94 0.00 1.82 1.85 0.94 0.11 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 15 K 8.13 3.88 0.00 1.90 2.03 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.49 7.81 16 V 7.66 3.95 2.31 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 1.09 0.00 0.00 1.06 0.00 0.00 17 L 8.09 4.29 0.00 1.84 1.86 0.95 1.18 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 18 C 8.00 4.36 0.00 3.12 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 19 E 7.92 4.26 0.00 2.10 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 2.64 2.26 0.00 *21 G 7.63 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 0.00 0.00 0.00 22 H 8.39 4.39 0.00 2.86 3.04 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.97 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 24 D 7.90 4.57 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.76 5.45 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 26 L 8.79 5.29 0.00 1.79 1.74 0.65 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.39 4.64 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 0.71 0.00 0.00 0.85 0.00 0.00 28 I 8.94 4.35 1.71 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 1.02 0.31 0.86 0.00 0.00 29 A 8.81 4.44 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.56 4.76 0.00 3.02 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 31 G 9.05 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 32 N 7.95 4.58 0.00 2.81 2.86 0.00 0.00 6.94 8.66 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 33 F 7.97 4.38 0.00 3.17 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 34 P 0.00 4.46 0.00 1.90 1.90 0.00 2.40 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.19 0.00 35 A 8.00 4.36 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 36 E 8.22 4.01 0.00 1.94 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 2.33 2.31 0.00 37 S 7.86 4.23 0.00 3.96 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 38 I 7.59 3.82 2.10 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.32 1.15 0.00 0.00 39 G 8.19 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 0.00 0.00 0.00 40 K 7.78 3.87 0.00 1.82 2.03 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.41 7.81 41 N 8.11 4.74 0.00 2.71 2.84 0.00 0.00 6.62 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 42 A 7.76 4.75 1.22 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 0.00 0.00 43 I 7.86 4.08 1.63 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.40 0.87 0.00 0.00 44 V 8.33 4.64 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 0.83 0.00 0.00 1.02 0.00 0.00 45 V 8.45 4.34 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 1.00 0.00 0.00 0.92 0.00 0.00 46 R 8.49 4.44 0.00 1.75 2.07 0.00 3.47 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 *48 D 8.68 4.59 0.00 2.63 2.76 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 49 G 8.13 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.03 5.24 0.00 3.18 3.18 0.00 5.61 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 51 G 9.35 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.77 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 53 G 8.23 3.82 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 0.00 0.00 0.00 54 E 8.22 4.09 0.00 2.23 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 2.62 2.44 0.00 55 I 7.76 3.64 1.98 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 1.38 0.77 0.85 0.00 0.00 56 L 8.21 3.80 0.00 1.60 1.82 0.74 0.34 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 57 K 8.25 3.85 0.00 1.92 2.02 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.52 7.81 58 A 7.98 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.00 3.62 1.71 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.63 0.52 0.00 0.00 60 L 8.03 4.09 0.00 1.51 1.46 0.96 1.07 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 61 T 7.66 4.15 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 1.34 0.00 0.00 62 V 7.83 4.33 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 0.72 0.00 0.00 1.03 0.00 0.00 63 F 8.04 4.65 0.00 2.91 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 64 P 0.00 4.55 0.00 2.07 2.12 0.00 3.33 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 1.77 1.84 0.00 65 L 8.48 4.72 0.00 1.62 1.70 0.97 1.21 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 66 D 8.76 4.56 0.00 2.98 2.66 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 67 T 8.91 4.34 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 1.29 0.00 0.00 68 Y 8.82 4.25 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 69 V 7.36 4.65 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 0.79 0.00 0.00 0.99 0.00 0.00 70 D 8.81 4.52 0.00 2.67 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 71 K 7.58 4.59 0.00 1.68 1.78 0.00 1.74 0.00 0.00 1.98 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.38 7.81 72 P 0.00 4.59 0.00 2.17 2.49 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 73 A 8.12 5.26 1.21 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 0.00 0.00 74 T 8.89 5.01 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 1.24 0.00 0.00 75 L 8.82 4.92 0.00 1.07 0.30 -0.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *77 E 8.82 4.36 0.00 1.89 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 2.19 2.33 0.00 78 K 8.51 2.94 0.00 1.54 1.41 0.00 1.54 0.00 0.00 1.33 0.00 0.00 2.15 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.33 0.99 7.81 79 V 8.50 3.69 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 1.13 0.00 0.00 1.08 0.00 0.00 80 P 0.00 4.34 0.00 2.11 2.03 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 81 G 9.09 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 82 D 7.92 4.47 0.00 2.72 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 83 T 8.10 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 1.18 0.00 0.00 84 V 7.67 4.42 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 0.78 0.00 0.00 0.92 0.00 0.00 85 A 8.33 4.05 1.15 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 0.00 0.00 86 T 7.51 4.33 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 0.61 0.00 0.00 87 P 0.00 4.21 0.00 2.21 2.27 0.00 3.60 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 88 I 7.51 3.51 1.69 0.00 0.00 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 0.53 1.12 0.79 0.00 0.00 89 W 7.99 4.40 0.00 3.52 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 90 D 8.17 4.45 0.00 2.85 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 91 V 7.49 3.60 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 1.07 0.00 0.00 0.94 0.00 0.00 92 Y 8.28 4.48 0.00 3.20 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 93 A 8.37 4.19 1.46 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 0.00 0.00 94 G 8.31 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 0.00 0.00 0.00 95 L 7.91 4.11 0.00 1.89 1.82 1.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.08 3.93 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.99 0.00 0.00 97 K 8.38 4.06 0.00 2.01 2.05 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 98 E 7.90 4.25 0.00 2.20 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 2.35 2.54 0.00 99 H 7.58 4.79 0.00 3.24 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.59 4.71 0.00 2.66 2.49 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 0.00 101 E 9.02 4.09 0.00 2.03 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 2.23 1.91 0.00 102 R 8.63 4.12 0.00 2.07 2.10 0.00 3.25 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 103 G 8.03 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 0.00 0.00 0.00 104 A 8.81 4.03 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 0.00 105 D 8.11 4.46 0.00 2.87 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 0.00 106 A 8.26 4.41 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.59 4.66 1.83 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 1.22 0.68 0.80 0.00 0.00 108 G 8.72 4.46 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 0.00 0.00 0.00 109 S 8.24 5.30 0.00 3.72 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 4.93 0.00 1.73 1.67 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.96 4.03 0.00 2.02 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 0.00 2.47 2.34 0.00 112 R 8.90 3.59 0.00 1.80 1.77 0.00 3.10 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.06 0.00 113 F 8.58 4.20 0.00 3.36 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 0.00 114 A 8.76 4.13 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 0.00 115 F 8.61 3.93 0.00 3.21 3.05 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 0.00 116 Y 8.06 4.64 0.00 3.32 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 0.00 117 E 8.35 4.09 0.00 2.20 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 0.00 2.72 2.57 0.00 118 Q 8.30 4.04 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 119 A 8.28 3.99 1.59 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 0.00 0.00 120 K 8.14 4.29 0.00 1.98 1.93 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.74 7.81 121 N 7.79 4.72 0.00 2.84 2.86 0.00 0.00 6.94 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 0.00 122 A 7.16 4.25 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.92 4.30 0.00 3.12 3.13 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 0.00 124 C 8.02 5.08 0.00 2.99 2.76 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 0.00 125 V 8.84 4.75 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 1.00 0.00 0.00 0.99 0.00 0.00 126 I 9.08 4.65 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.47 0.89 0.00 0.00 127 A 8.86 4.68 1.27 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 0.00 128 S 8.77 4.38 0.00 4.13 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 0.00 129 G 8.41 4.51 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 0.00 130 E 8.51 4.12 0.00 2.19 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 0.00 2.39 2.39 0.00 131 S 8.61 4.41 0.00 4.01 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 0.00 132 A 8.13 4.04 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 0.00 133 Q 8.42 4.25 0.00 2.07 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 134 Y 7.79 3.59 0.00 3.24 3.41 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 0.00 135 A 8.22 4.84 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 0.00 136 N 7.87 4.77 0.00 2.13 2.54 0.00 0.00 6.71 7.85 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 0.00 137 L 8.88 4.83 0.00 1.43 1.17 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.89 4.66 1.72 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.22 0.88 0.00 0.00 139 L 8.98 5.16 0.00 1.26 1.56 0.55 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 9.00 5.12 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 141 K 9.27 3.85 0.00 1.46 1.58 0.00 1.31 0.00 0.00 1.53 0.00 0.00 2.59 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.95 0.21 7.81 142 G 8.31 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 0.00 0.00 0.00 143 V 7.94 3.67 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 -0.18 0.00 0.00 0.19 0.00 0.00 144 V 7.66 3.96 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 0.84 0.00 0.00 0.81 0.00 0.00 145 F 8.62 4.33 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.