NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3224 0.0000 0.0000 62.2946 32.6141 175.1472 2 N 5.0191 8.7125 122.0657 51.5008 40.2808 173.2468 3 F 4.6911 10.9318 126.1564 58.4728 40.5074 176.0484 4 S 4.5954 8.2727 117.8069 57.6982 63.2713 174.2014 5 G 3.9624 7.8214 111.9867 44.7883 0.0000 170.3848 6 N 5.2990 7.6636 116.7292 51.4375 40.7122 174.6034 7 W 5.1886 9.5044 125.8751 55.3470 32.8709 175.1830 8 K 4.8656 9.3082 127.8438 53.0620 33.9446 173.7021 9 I 3.9402 8.7705 126.8522 60.4003 37.9363 175.4007 10 I 4.5497 8.7193 121.2669 60.7927 39.6381 175.4355 11 R 4.6761 7.5129 121.8428 55.2193 33.5368 173.4285 12 S 5.0970 8.4821 120.7738 57.7150 65.8038 173.5006 13 E 4.6550 8.8446 123.2446 55.6776 34.2774 174.3415 14 N 4.1608 9.0930 118.7010 53.7823 36.5644 176.3173 15 W 4.4160 8.3047 129.2532 60.8737 30.7844 177.5303 16 E 3.6026 8.1826 118.7565 59.0707 29.0908 178.1554 17 E 3.8410 8.0629 118.9993 58.9011 29.2190 178.2438 18 L 3.8834 7.9925 120.4980 58.3314 42.1819 179.1083 19 L 3.7818 7.3106 118.3180 57.3214 41.4232 179.4459 20 K 3.8376 8.0372 119.9205 59.6597 32.0238 179.2448 21 V 3.7588 7.6600 110.4225 63.3325 31.5676 177.6107 22 L 4.3011 7.2563 116.6332 55.0054 41.7389 177.5561 23 G 3.8623 7.8138 107.4806 45.1329 0.0000 173.6677 24 V 3.6911 7.4410 120.0163 61.8733 32.0380 176.4841 25 N 4.5935 8.5236 125.0937 52.6379 39.2495 176.4415 26 V 3.5586 8.1777 121.2592 64.9558 31.5009 178.0905 27 M 3.9694 8.0251 118.3339 58.6496 32.1204 178.1569 28 L 4.0488 8.5623 119.3349 57.6319 41.6278 179.7110 29 R 3.8028 8.2541 118.5159 59.2985 30.0100 179.2983 30 K 4.0458 8.3214 118.3008 59.2237 31.9054 179.6037 31 I 3.7114 7.8603 120.1839 64.4065 37.0860 178.3376 32 A 4.1741 8.3083 121.8955 54.9747 17.9397 179.8281 33 V 3.8301 8.1443 116.3665 66.1544 31.9381 177.7074 34 A 4.1610 8.0750 120.2097 55.4107 18.0637 179.4700 35 A 3.9842 8.1042 117.5045 55.0432 18.5507 178.9217 36 A 4.0963 7.9755 116.8381 53.1257 18.8790 179.2432 37 S 4.2771 7.7692 113.3269 60.4038 64.5096 175.4465 38 K 4.6066 7.3895 119.4457 55.2106 32.7367 172.7668 39 P 4.6024 0.0000 0.0000 62.9742 33.1628 175.7496 40 A 4.8264 9.1788 121.3271 50.1775 21.4936 175.8849 41 V 4.7596 8.2022 121.3593 60.9312 34.6349 173.7806 42 E 5.2612 9.4079 129.0649 54.4787 32.4791 174.4113 43 I 5.1519 9.1294 127.3361 59.3698 41.0760 174.4164 44 K 4.7853 9.3199 127.4140 54.8185 34.6578 174.2205 45 Q 4.2381 8.9028 129.8212 54.3315 30.6838 175.3177 46 E 4.4538 8.8135 126.8671 54.8826 31.2378 177.9738 47 G 3.8393 7.9758 116.5593 46.9830 0.0000 173.1212 48 D 4.9734 8.9722 126.5936 55.1490 41.3335 175.0089 49 T 4.8803 7.9295 117.8738 62.1369 70.5083 173.8932 50 F 4.9144 9.0092 124.2102 55.5578 43.3219 173.1401 51 Y 5.1872 8.9569 123.4346 55.8803 41.6951 174.2458 52 I 4.7449 8.5392 129.2639 59.9502 41.1625 174.9532 53 K 4.7389 8.8443 130.9483 53.5136 34.9124 171.5495 54 T 5.1529 8.7787 122.7835 60.7131 71.3087 173.5998 55 S 4.7760 9.0686 120.7949 56.7855 66.7928 173.4352 *60 T 4.5026 8.4790 118.6626 63.6144 69.5087 173.1393 61 T 4.7295 8.7578 116.7587 59.8346 71.4363 172.9234 62 E 5.1682 8.8703 123.9938 54.3869 33.0935 175.1783 63 I 4.8305 8.5989 115.7195 59.2296 41.4355 173.8077 64 N 5.5396 8.8204 121.0720 51.5414 41.3839 173.5964 65 F 4.7672 8.5462 117.6108 55.3009 42.2107 172.9071 66 K 5.0760 8.5337 120.4093 54.1887 35.0565 175.5179 67 V 3.8208 8.6341 127.4476 64.8145 31.7366 176.3049 68 G 3.9981 9.2531 115.3192 45.2723 0.0000 172.7265 69 E 4.7093 7.8475 118.6410 53.8213 32.2850 175.6363 70 E 4.6176 8.8231 122.4863 56.6028 30.6871 175.7929 71 F 5.1222 9.1136 116.5870 55.6485 42.4190 172.2490 72 E 4.9949 8.9847 119.8457 54.6111 31.1011 174.6873 73 E 4.6418 8.7723 128.3120 56.3258 33.2195 174.7255 74 Q 5.0279 8.6678 116.6333 53.1548 32.4176 171.4139 75 T 4.3118 8.6847 109.8066 61.4487 69.5214 175.9878 76 V 3.6813 8.3646 121.2679 64.3578 31.3640 176.5984 77 D 4.5508 8.1124 117.6526 53.0891 39.5626 176.8432 78 G 3.9637 8.4713 108.3014 45.3848 0.0000 173.5457 79 R 4.3663 7.9797 119.6165 54.3663 31.6847 174.4442 80 P 4.8766 0.0000 0.0000 63.3562 32.6402 175.0426 81 C 5.0517 9.0167 117.4512 56.8342 33.8822 172.3128 82 K 4.7440 9.0843 121.3580 55.1037 33.6695 175.3350 83 S 4.9476 8.7464 122.6069 56.5728 67.1173 173.0290 84 L 4.7261 8.0512 123.5375 53.8332 45.3063 174.7886 85 V 4.3335 8.3482 126.2158 61.3496 33.6152 174.5482 86 K 4.7757 8.4450 125.3886 54.1770 36.8371 175.6512 87 W 4.8649 8.6310 122.9092 56.6042 29.7378 176.2897 88 E 4.2342 9.3684 125.6612 58.4006 29.7558 175.7545 89 S 4.6903 7.7950 111.0597 56.6356 66.1038 173.8420 90 E 3.4776 8.7545 120.2036 58.6939 29.3021 176.9290 91 N 4.9446 7.9076 112.8346 52.9450 39.5633 174.0262 92 K 5.4317 8.5028 120.5942 55.2232 36.0325 174.6337 93 M 5.1131 9.2988 124.6697 53.4927 34.5581 174.8137 94 V 4.5097 8.3996 119.7353 61.2086 35.4140 173.4758 95 C 4.6643 8.5176 128.2511 57.1537 33.9667 172.1953 96 E 4.7328 8.3451 124.4555 54.9482 31.6005 174.9551 97 Q 4.9843 8.1890 121.5312 54.7043 32.4161 175.8109 98 K 4.6122 8.8621 125.4617 53.0652 35.8423 175.1181 99 L 4.3865 8.6334 125.1166 54.0534 41.7479 177.7491 100 L 4.0921 8.5870 125.2595 57.9023 41.9038 178.8674 101 K 4.4851 7.6274 118.3258 54.0442 35.6743 179.9529 102 G 3.8841 9.0632 111.7802 43.8630 0.0000 171.8676 103 E 4.6856 8.0967 116.6215 54.6792 33.5956 174.6884 104 G 3.9161 7.8280 107.1831 44.9327 0.0000 171.2741 105 P 4.3499 0.0000 0.0000 62.2737 31.8818 175.6192 106 K 4.2879 8.8288 121.9831 56.5400 33.0455 175.8033 107 T 5.3251 8.3488 117.2287 60.3461 72.4277 172.7786 108 S 4.7457 8.6168 116.4429 57.8310 67.1272 172.8058 109 W 5.8534 8.3433 116.4095 55.6169 31.8206 173.7088 110 T 5.2097 9.4158 110.3183 60.2310 72.2259 172.8829 111 R 5.3553 8.9790 121.4365 54.6408 34.2943 173.9736 112 E 5.3624 9.5070 123.7787 54.3908 33.6234 173.7883 113 L 4.9622 8.6634 128.5755 53.3564 43.5862 176.4322 114 T 4.3509 9.0318 117.4892 60.8179 69.9315 175.4706 115 N 4.3663 8.5306 118.6715 56.0206 38.6550 176.0972 116 D 4.5539 8.1098 115.6940 54.4087 41.1538 176.8545 117 G 3.9849 8.3744 107.7080 45.5571 0.0000 173.3426 118 E 4.8818 8.2073 118.8811 55.0930 31.7877 174.8948 119 L 4.7650 8.8148 124.9034 53.6344 44.0344 175.0209 120 I 4.9706 8.9021 127.6415 59.5413 39.9087 174.1083 121 L 5.1886 9.2136 130.4494 53.6785 43.8262 175.1694 122 T 5.3188 8.8653 116.2233 60.3168 72.2158 173.0114 123 M 5.4465 9.1037 122.3862 54.0546 36.3714 174.3949 124 T 5.2705 9.1076 113.0554 59.7777 72.9250 172.8480 125 A 4.6281 8.6293 124.3103 52.9551 21.7333 178.3647 126 D 4.0751 9.3559 122.7196 55.5687 41.2582 174.2786 127 D 4.7508 9.0951 124.4633 53.4525 41.4058 176.9374 128 V 4.3213 7.9409 121.1723 61.0282 33.4079 173.9281 129 V 4.9051 8.3392 126.4846 61.2771 33.8005 173.8230 130 C 4.9140 9.1952 129.0089 58.4837 33.5458 172.1911 131 T 5.1872 8.7362 122.3251 61.8594 71.6173 173.1360 132 R 4.9679 9.4167 124.9620 54.2565 34.1503 174.4697 133 V 4.9345 8.5113 123.4487 61.3407 34.5657 173.8945 134 Y 5.4046 9.3824 123.9621 56.4788 42.5460 174.6418 135 V 4.9724 8.9643 114.8282 59.5966 35.1560 174.9845 136 R 3.5889 8.3508 124.1315 55.4616 30.6835 175.7670 137 E 4.1195 8.7053 126.9659 56.4614 29.2520 176.1905 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 P 0.00 4.32 0.00 2.09 2.03 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 2 N 8.71 5.02 0.00 2.78 2.77 0.00 0.00 7.24 6.14 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 3 F 10.93 4.69 0.00 3.32 3.31 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 4 S 8.27 4.60 0.00 3.94 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 5 G 7.82 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 6 N 7.66 5.30 0.00 2.57 2.70 0.00 0.00 6.60 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 7 W 9.50 5.19 0.00 3.08 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 8 K 9.31 4.87 0.00 1.37 1.66 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.21 7.81 9 I 8.77 3.94 1.69 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.85 0.00 0.00 10 I 8.72 4.55 1.86 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 1.20 0.86 0.99 0.00 0.00 11 R 7.51 4.68 0.00 1.82 1.67 0.00 3.15 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 12 S 8.48 5.10 0.00 3.72 3.59 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 13 E 8.84 4.65 0.00 1.64 1.71 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 2.13 2.14 0.00 14 N 9.09 4.16 0.00 3.09 3.01 0.00 0.00 6.74 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 15 W 8.30 4.42 0.00 3.36 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 16 E 8.18 3.60 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 17 E 8.06 3.84 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 2.37 2.41 0.00 18 L 7.99 3.88 0.00 1.90 1.74 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.31 3.78 0.00 1.56 1.41 0.19 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.04 3.84 0.00 1.86 1.88 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.43 7.81 21 V 7.66 3.76 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 22 L 7.26 4.30 0.00 1.74 1.66 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.81 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 24 V 7.44 3.69 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 0.73 0.00 0.00 0.85 0.00 0.00 25 N 8.52 4.59 0.00 3.01 2.92 0.00 0.00 6.02 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 26 V 8.18 3.56 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 0.75 0.00 0.00 0.91 0.00 0.00 27 M 8.03 3.97 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 28 L 8.56 4.05 0.00 1.80 1.68 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.25 3.80 0.00 1.94 1.87 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.84 0.00 30 K 8.32 4.05 0.00 1.76 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.62 7.81 31 I 7.86 3.71 2.05 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 0.68 0.95 0.00 0.00 32 A 8.31 4.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.83 2.30 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 0.93 0.00 0.00 1.05 0.00 0.00 34 A 8.08 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 35 A 8.10 3.98 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 36 A 7.98 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.77 4.28 0.00 4.06 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 0.00 38 K 7.39 4.61 0.00 1.81 1.81 0.00 1.47 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.49 7.81 39 P 0.00 4.60 0.00 2.21 2.07 0.00 3.72 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 2.06 1.93 0.00 40 A 9.18 4.83 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 41 V 8.20 4.76 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 0.77 0.00 0.00 0.84 0.00 0.00 42 E 9.41 5.26 0.00 2.08 1.82 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 2.34 2.33 0.00 43 I 9.13 5.15 2.41 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 1.13 0.70 1.20 0.00 0.00 44 K 9.32 4.79 0.00 1.87 1.75 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.32 7.81 45 Q 8.90 4.24 0.00 1.65 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.75 0.00 0.00 0.00 0.00 0.00 1.98 1.16 0.00 46 E 8.81 4.45 0.00 1.87 1.77 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 2.14 2.11 0.00 47 G 7.98 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 48 D 8.97 4.97 0.00 2.86 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 49 T 7.93 4.88 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 1.12 0.00 0.00 50 F 9.01 4.91 0.00 1.51 2.15 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 51 Y 8.96 5.19 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 52 I 8.54 4.74 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.64 0.69 0.00 0.00 53 K 8.84 4.74 0.00 1.37 1.65 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.25 7.81 54 T 8.78 5.15 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 55 S 9.07 4.78 0.00 3.81 3.90 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 *60 T 8.48 4.50 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 1.23 0.00 0.00 61 T 8.76 4.73 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 1.22 0.00 0.00 62 E 8.87 5.17 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 63 I 8.60 4.83 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.02 1.05 0.00 0.00 64 N 8.82 5.54 0.00 2.63 2.75 0.00 0.00 6.75 7.45 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 65 F 8.55 4.77 0.00 2.25 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 66 K 8.53 5.08 0.00 1.85 1.73 0.00 1.77 0.00 0.00 1.97 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 67 V 8.63 3.82 2.16 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 0.51 0.00 0.00 0.69 0.00 0.00 68 G 9.25 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 69 E 7.85 4.71 0.00 2.19 1.92 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 2.27 2.26 0.00 70 E 8.82 4.62 0.00 2.03 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 2.29 2.34 0.00 71 F 9.11 5.12 0.00 3.19 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 72 E 8.98 4.99 0.00 2.00 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 2.21 2.40 0.00 73 E 8.77 4.64 0.00 2.16 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 0.00 1.95 2.24 0.00 74 Q 8.67 5.03 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.07 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 75 T 8.68 4.31 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 76 V 8.36 3.68 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 0.78 0.00 0.00 1.27 0.00 0.00 77 D 8.11 4.55 0.00 2.76 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 78 G 8.47 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 79 R 7.98 4.37 0.00 1.79 1.85 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 80 P 0.00 4.88 0.00 2.06 1.98 0.00 3.56 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 81 C 9.02 5.05 0.00 3.01 2.92 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 82 K 9.08 4.74 0.00 1.76 1.58 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.33 7.81 83 S 8.75 4.95 0.00 2.72 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 84 L 8.05 4.73 0.00 1.64 1.30 0.89 0.67 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 85 V 8.35 4.33 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 0.42 0.00 0.00 -0.01 0.00 0.00 86 K 8.44 4.78 0.00 1.57 1.58 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.27 7.81 87 W 8.63 4.86 0.00 3.30 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.37 4.23 0.00 1.96 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 89 S 7.80 4.69 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.75 3.48 0.00 1.74 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 2.23 2.22 0.00 91 N 7.91 4.94 0.00 2.90 3.02 0.00 0.00 6.25 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 92 K 8.50 5.43 0.00 1.97 1.75 0.00 1.81 0.00 0.00 2.02 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 93 M 9.30 5.11 0.00 1.23 1.42 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 94 V 8.40 4.51 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 0.85 0.00 0.00 0.92 0.00 0.00 95 C 8.52 4.66 0.00 1.23 1.18 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 96 E 8.35 4.73 0.00 1.95 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 2.13 2.12 0.00 97 Q 8.19 4.98 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.63 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 98 K 8.86 4.61 0.00 1.36 1.60 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 1.26 7.81 99 L 8.63 4.39 0.00 1.49 1.76 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.59 4.09 0.00 1.64 1.71 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.63 4.49 0.00 1.71 1.51 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.00 7.81 102 G 9.06 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 0.00 0.00 0.00 103 E 8.10 4.69 0.00 1.89 1.79 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 2.18 2.26 0.00 104 G 7.83 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 0.00 105 P 0.00 4.35 0.00 2.17 2.14 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 106 K 8.83 4.29 0.00 1.83 1.71 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.50 7.81 107 T 8.35 5.33 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 1.26 0.00 0.00 108 S 8.62 4.75 0.00 3.92 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 0.00 109 W 8.34 5.85 0.00 3.49 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 0.00 110 T 9.42 5.21 4.39 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 1.20 0.00 0.00 111 R 8.98 5.36 0.00 1.85 1.92 0.00 2.73 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 112 E 9.51 5.36 0.00 2.11 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 2.24 2.48 0.00 113 L 8.66 4.96 0.00 0.42 1.03 0.91 1.10 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 0.00 114 T 9.03 4.35 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 1.27 0.00 0.00 115 N 8.53 4.37 0.00 2.75 2.93 0.00 0.00 6.91 8.06 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 0.00 116 D 8.11 4.55 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 0.00 117 G 8.37 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.21 4.88 0.00 2.02 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 2.39 2.32 0.00 119 L 8.81 4.76 0.00 0.27 1.07 0.74 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.90 4.97 1.93 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 1.15 0.62 0.96 0.00 0.00 121 L 9.21 5.19 0.00 1.77 1.86 0.83 0.33 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 0.00 122 T 8.87 5.32 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 1.27 0.00 0.00 123 M 9.10 5.45 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 124 T 9.11 5.27 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 1.25 0.00 0.00 125 A 8.63 4.63 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 0.00 126 D 9.36 4.08 0.00 2.72 2.44 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 0.00 127 D 9.10 4.75 0.00 2.76 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 0.00 128 V 7.94 4.32 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 0.95 0.00 0.00 0.92 0.00 0.00 129 V 8.34 4.91 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 0.95 0.00 0.00 130 C 9.20 4.91 0.00 3.34 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.74 5.19 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 1.23 0.00 0.00 132 R 9.42 4.97 0.00 1.64 1.37 0.00 2.75 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.47 0.00 133 V 8.51 4.93 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 1.00 0.00 0.00 0.92 0.00 0.00 134 Y 9.38 5.40 0.00 3.02 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 0.00 135 V 8.96 4.97 2.15 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 0.76 0.00 0.00 1.04 0.00 0.00 136 R 8.35 3.59 0.00 0.67 1.42 0.00 2.99 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.00 137 E 8.71 4.12 0.00 1.89 1.68 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 2.26 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.