NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *4 H 4.2810 8.4444 117.3294 54.3037 30.2986 174.0174 5 D 4.3206 7.8213 117.7937 54.4202 41.7527 172.7893 6 E 4.0623 8.8858 121.4442 57.0511 31.3938 175.3903 7 R 5.0946 8.5293 123.9980 54.9186 32.9908 175.0301 8 T 4.7783 8.6112 115.6352 60.6827 71.6542 172.1128 9 F 5.0773 8.9708 130.1531 57.4360 41.2078 174.3606 10 V 4.7759 7.8329 124.8466 61.2872 35.2140 173.7122 11 M 4.9196 8.6800 125.9945 53.8805 35.9743 174.0373 12 V 4.5068 8.9656 119.4007 60.5783 33.5826 176.3480 13 K 4.3908 9.3421 125.0507 55.2344 33.3358 176.4221 14 P 4.5353 0.0000 0.0000 65.1511 30.9747 178.7718 15 D 4.6072 8.3997 117.9007 56.3599 39.4713 178.7572 16 G 3.5983 8.1364 106.7402 47.4179 0.0000 175.5919 17 V 3.6685 7.8642 120.9285 65.9527 31.4038 177.9913 18 Q 4.0611 7.9621 117.7186 58.9823 29.0086 177.4323 19 R 4.3103 8.0484 116.4223 56.0473 30.2567 176.8821 20 G 3.8124 7.8502 106.8264 46.9100 0.0000 174.6936 21 L 4.4316 7.8381 117.1866 54.2757 41.8192 178.1333 22 I 3.8734 7.6725 122.9948 64.5637 37.1617 178.3518 23 G 3.6725 7.9549 105.8534 47.5697 0.0000 175.5095 24 D 4.4860 8.0168 120.5834 56.9750 40.7119 178.8232 25 I 3.8409 7.6843 120.1672 64.3995 37.3075 178.3943 26 V 3.7740 7.9847 119.0229 66.3566 31.2579 178.3345 27 T 4.1118 7.9309 115.2089 66.8551 67.9663 176.9015 28 R 4.0567 7.7388 119.9462 59.4354 29.8731 179.0867 29 L 3.7550 7.5429 118.4276 57.2010 41.3229 179.3584 30 E 4.2949 8.2177 118.9516 59.7688 29.3728 179.4933 31 T 3.8844 8.2940 107.7813 64.0330 68.9778 175.2474 32 K 3.9733 7.4803 120.9940 57.2465 32.3724 177.3134 33 G 4.0685 8.3127 106.6605 45.3318 0.0000 173.5323 34 L 4.6661 7.4760 119.1944 54.0199 43.2912 176.4443 35 K 4.5101 9.1313 123.9352 54.6817 33.8018 175.1602 36 M 3.2085 8.5028 128.4386 55.7857 32.2158 176.0136 37 V 4.5531 8.7391 118.4167 61.1457 34.4736 175.5083 38 G 4.0802 7.4156 107.2300 44.8153 0.0000 172.4367 39 G 4.5277 8.5982 109.7311 44.6692 0.0000 172.3860 40 K 4.6967 9.0899 126.8767 55.1751 35.7284 174.6723 41 F 5.2230 9.3836 131.5820 57.9705 39.8729 174.0407 42 M 4.8007 8.6409 123.2496 54.1604 35.4459 173.2242 43 R 4.6628 8.2960 118.8151 54.4868 32.2444 175.1739 44 I 4.0663 8.2844 127.7781 60.1487 37.4953 176.0390 45 D 4.5763 8.2892 126.0065 52.4532 41.6256 176.4033 46 E 3.9757 8.9097 123.3664 60.4346 29.4797 179.7735 47 E 3.9086 8.1363 117.2389 61.0880 29.9154 180.0271 48 L 3.8958 8.1867 121.6525 58.2156 41.5033 179.1754 49 A 3.9430 7.9133 119.9512 55.3223 18.0422 179.3154 50 H 4.3969 8.1358 114.1592 58.6656 28.8265 177.0696 51 E 4.1944 7.9975 120.4643 59.0309 29.6326 177.7276 52 H 4.4082 8.3233 117.7442 58.0631 30.0764 175.1175 53 Y 5.0809 7.5918 117.5590 57.5795 38.7732 177.6999 54 A 4.2499 8.2466 125.5859 54.8441 18.7909 180.5300 55 E 4.0611 8.2081 113.0011 59.1024 30.2603 177.2830 56 H 4.7707 8.1119 115.4069 55.3791 29.1067 174.8025 57 E 2.7581 7.2323 119.2594 57.7492 29.5770 177.7515 58 D 4.4492 8.0123 119.5688 54.5674 39.5983 174.6380 59 K 4.1151 7.2427 119.3631 54.7660 32.7272 176.4287 60 P 4.2636 0.0000 0.0000 65.4629 31.4734 177.1495 61 F 4.6243 7.4190 112.2422 57.1916 38.6951 177.0692 62 F 4.1857 8.1812 124.9406 61.8344 39.2774 176.7015 63 D 4.3977 8.2897 118.2213 57.2421 40.1966 178.4512 64 G 3.8588 8.1734 104.3229 46.1180 0.0000 174.2522 65 L 4.6675 7.2616 120.6972 56.6220 43.2467 178.1657 66 V 3.5195 7.5551 117.3991 66.0563 31.3136 177.6350 67 S 4.2362 7.9726 112.6392 61.1825 62.1692 175.9537 68 F 4.3631 7.6741 123.7574 61.4197 39.1080 176.7588 69 I 3.3470 7.7539 115.4626 62.5182 37.8749 176.2747 70 T 4.5086 7.1869 110.6129 62.7893 67.8912 175.1355 71 S 4.5550 8.1441 115.1857 60.0882 63.7041 173.4582 72 G 4.0151 7.0095 109.2572 43.8032 0.0000 170.6251 73 P 4.4865 0.0000 0.0000 62.5888 32.9618 175.5373 74 V 4.4662 8.2475 113.1174 59.4866 36.1287 174.5727 75 F 5.4702 8.6549 124.0438 56.7985 41.3210 173.7791 76 A 4.6182 9.0529 129.7003 50.8441 21.0172 175.6372 77 M 5.1990 8.5733 120.3264 53.7062 37.4498 174.2464 78 V 4.8674 8.1466 119.5329 61.0230 35.1617 174.3820 79 W 5.2319 9.0516 125.9699 54.8873 33.3143 173.9409 80 E 5.6928 9.2470 122.3882 52.6362 32.8959 175.0334 81 G 4.4282 8.5141 112.5614 45.7511 0.0000 171.5012 82 A 3.9737 8.2616 122.5938 52.7126 19.0898 177.5350 83 D 4.6224 9.0970 120.4361 53.5893 40.1995 175.5004 84 A 4.1120 7.9519 120.7891 55.1393 18.6909 179.5659 85 T 3.9099 7.9960 115.5050 66.4662 68.5864 176.9175 86 R 3.7237 7.9262 120.0272 59.3813 30.0862 178.3871 87 Q 3.9557 7.9318 117.8661 59.0530 28.7017 179.1398 88 V 3.5953 7.9951 113.4691 64.1433 31.3979 178.7282 89 R 3.9317 7.8447 117.5622 59.4103 29.6784 179.1209 90 Q 3.9722 7.9973 116.6796 59.0408 28.9931 178.5101 91 L 4.0618 8.0008 119.8362 57.8860 41.5416 179.5752 92 M 4.0302 8.0879 119.0795 56.5900 32.0136 177.5551 93 G 3.8557 7.7976 105.6915 44.0849 0.0000 172.5596 94 A 4.1605 8.1659 120.8030 52.2150 18.9602 177.8997 95 T 3.8266 8.4710 114.3925 65.1585 67.7067 174.4657 96 D 4.4131 7.9104 123.7601 53.3615 40.0639 176.0415 97 A 4.3277 8.3003 130.2857 54.5792 18.6193 179.6045 98 Q 4.0557 7.9954 113.7532 58.2576 28.8432 176.8813 99 D 4.5869 8.2224 116.1312 54.4636 41.6087 176.8637 100 A 4.1129 7.3391 122.3527 51.6637 19.1929 176.8275 101 A 4.3609 8.2688 123.7713 50.2433 19.7720 175.7768 102 P 4.4123 0.0000 0.0000 64.2780 31.7042 176.6160 103 G 3.9100 9.0345 109.2931 45.4873 0.0000 174.3375 104 T 4.4819 7.4435 110.4046 60.1115 72.0009 175.8680 105 I 3.3298 8.1993 122.6770 64.6189 37.0655 179.2001 106 R 4.0864 8.1089 119.0633 59.1152 29.6785 179.3531 107 G 3.5592 8.0184 104.6715 47.1192 0.0000 174.8004 108 D 4.5198 7.7178 119.9671 55.8863 41.5586 177.4867 109 Y 4.9822 7.9685 114.6822 56.9013 39.5888 175.9297 110 G 4.3179 7.7850 108.6406 43.8203 0.0000 172.7293 111 N 5.0425 8.3789 120.6238 52.2361 39.3130 173.0927 112 D 4.6213 7.8542 113.5434 52.9644 44.5795 174.8260 113 L 4.1659 8.3524 123.7584 56.8953 43.0821 178.1513 114 G 3.5044 7.9937 105.9981 48.7576 0.0000 174.2322 115 H 4.1245 7.5092 120.3316 53.5422 27.2453 174.5042 116 N 4.9691 8.3308 118.7263 52.2143 38.2840 175.7212 117 L 4.5392 10.2714 121.8202 55.4869 40.9027 174.0648 118 I 5.0687 7.4374 114.6842 60.1924 41.4449 173.5194 119 H 5.0596 9.1614 126.7766 54.5198 33.2368 172.3129 120 G 4.4677 8.3225 110.3818 44.2531 0.0000 172.2791 121 S 4.7520 8.6947 117.1779 57.6676 64.3790 173.6048 122 D 4.6916 8.7300 123.4267 54.3174 41.6011 176.8647 123 H 4.3804 8.8371 121.9518 57.9095 29.1094 176.1098 124 E 3.9872 8.1975 118.4540 57.2672 29.7310 175.7732 125 D 4.7404 7.4650 119.1941 51.9242 41.5445 175.2115 126 E 4.1150 8.5831 127.2436 57.7671 30.1668 177.9342 127 G 3.9472 9.0625 111.0559 45.9008 0.0000 174.7639 128 A 4.2018 7.8453 121.8109 54.2156 18.5151 179.6488 129 N 4.6187 8.0221 117.0422 55.9877 37.4124 177.2999 130 E 4.0429 8.1084 119.6618 59.0695 29.9942 178.5647 131 R 3.9624 8.0678 118.8756 59.2612 29.7872 178.0898 132 E 3.9319 8.5248 118.1873 59.5892 29.5082 179.8335 133 I 3.9353 7.7261 118.9306 64.5481 37.0392 178.3490 134 A 4.1276 7.7348 119.8176 55.0571 18.2174 179.0978 135 L 3.9613 7.7711 117.7427 57.4460 42.3416 177.9963 136 F 4.2800 7.8706 116.0418 56.6587 40.2733 175.9741 137 F 4.8490 8.1951 116.2695 55.6481 42.3834 174.2546 138 D 4.9520 8.4967 124.1959 52.7488 42.7284 177.2548 139 D 4.4870 8.4467 118.7810 57.0876 41.0449 177.9187 140 D 4.8233 8.1320 116.8276 54.4164 40.8038 176.4627 141 E 4.5902 8.0138 118.2924 56.2307 30.9214 175.8455 142 L 4.7201 7.3016 118.6132 53.1534 43.4838 176.1338 143 V 4.3505 8.5685 123.0119 61.2884 33.4861 174.6162 144 D 5.0189 8.9000 128.5220 52.8214 41.3560 175.7095 145 W 5.2951 8.5704 119.4616 54.8819 31.4959 173.8480 146 D 4.5485 8.7095 118.3638 52.2907 42.4465 175.9143 147 R 4.2384 7.6826 124.7968 55.5246 30.3577 176.5668 148 D 4.5555 8.7618 124.7920 56.3271 41.1281 178.2393 149 A 4.2488 8.0451 121.0793 54.7778 18.4267 179.4530 150 S 4.1708 8.0564 113.7995 61.4000 62.5948 176.4000 151 A 3.9567 7.6135 122.0856 53.9758 18.0784 178.5361 152 W 4.6083 7.7849 115.0954 57.1846 30.3801 178.1254 153 V 3.6515 7.6569 117.7980 64.0999 31.2782 174.9931 154 Y 4.8603 7.1036 116.1915 56.4278 41.1642 176.0722 155 E 4.1811 8.7502 116.0803 56.3217 29.9522 177.5375 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 *4 H 8.44 4.28 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.82 4.32 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.89 4.06 0.00 2.08 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 2.38 0.00 7 R 8.53 5.09 0.00 1.71 1.82 0.00 3.23 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 8 T 8.61 4.78 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 1.36 0.00 0.00 9 F 8.97 5.08 0.00 3.26 3.01 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 10 V 7.83 4.78 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 0.84 0.00 0.00 0.87 0.00 0.00 11 M 8.68 4.92 0.00 1.62 1.43 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 12 V 8.97 4.51 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 1.11 0.00 0.00 1.03 0.00 0.00 13 K 9.34 4.39 0.00 1.96 1.78 0.00 1.99 0.00 0.00 2.06 0.00 0.00 3.06 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.50 1.52 7.81 14 P 0.00 4.54 0.00 1.80 2.06 0.00 3.05 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 15 D 8.40 4.61 0.00 2.99 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 16 G 8.14 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.67 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 1.17 0.00 0.00 1.09 0.00 0.00 18 Q 7.96 4.06 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 19 R 8.05 4.31 0.00 1.86 1.92 0.00 3.29 0.00 0.00 3.32 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 20 G 7.85 3.81 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 0.00 0.00 0.00 21 L 7.84 4.43 0.00 1.74 1.44 0.52 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.67 3.87 1.80 0.00 0.00 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 1.66 0.90 0.70 0.00 0.00 23 G 7.95 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.49 0.00 2.63 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.68 3.84 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.93 0.00 0.00 26 V 7.98 3.77 2.24 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 1.43 0.00 0.00 1.36 0.00 0.00 27 T 7.93 4.11 4.49 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 1.24 0.00 0.00 28 R 7.74 4.06 0.00 1.88 1.94 0.00 3.20 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 29 L 7.54 3.75 0.00 0.89 0.13 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.22 4.29 0.00 2.34 2.14 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 2.70 2.96 0.00 31 T 8.29 3.88 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 1.24 0.00 0.00 32 K 7.48 3.97 0.00 1.75 2.04 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.40 7.81 33 G 8.31 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 34 L 7.48 4.67 0.00 1.85 1.96 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 K 9.13 4.51 0.00 1.69 1.70 0.00 1.33 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.06 0.49 7.81 36 M 8.50 3.21 0.00 1.77 0.57 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.31 0.00 37 V 8.74 4.55 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 nan 0.00 0.00 0.83 0.00 0.00 38 G 7.42 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 39 G 8.60 4.53 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 0.00 40 K 9.09 4.70 0.00 1.69 1.51 0.00 1.31 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.35 1.41 7.81 41 F 9.38 5.22 0.00 3.24 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 42 M 8.64 4.80 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 43 R 8.30 4.66 0.00 1.74 1.78 0.00 3.20 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 44 I 8.28 4.07 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.76 0.89 0.00 0.00 45 D 8.29 4.58 0.00 2.91 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 46 E 8.91 3.98 0.00 2.05 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 2.40 2.46 0.00 47 E 8.14 3.91 0.00 2.01 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 2.31 1.93 0.00 48 L 8.19 3.90 0.00 1.52 1.83 -0.01 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.91 3.94 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 50 H 8.14 4.40 0.00 3.36 3.52 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.00 4.19 0.00 1.96 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 2.29 2.31 0.00 52 H 8.32 4.41 0.00 3.07 2.93 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.59 5.08 0.00 3.34 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 54 A 8.25 4.25 1.43 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 55 E 8.21 4.06 0.00 2.08 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 0.00 2.10 2.11 0.00 56 H 8.11 4.77 0.00 3.65 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.23 2.76 0.00 1.89 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 58 D 8.01 4.45 0.00 2.70 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 59 K 7.24 4.12 0.00 1.02 1.04 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.25 7.81 60 P 0.00 4.26 0.00 2.20 2.19 0.00 3.30 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 61 F 7.42 4.62 0.00 3.21 3.33 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 62 F 8.18 4.19 0.00 3.15 3.04 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 63 D 8.29 4.40 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 64 G 8.17 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 65 L 7.26 4.67 0.00 1.92 1.82 0.78 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.56 3.52 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 0.76 0.00 0.00 -0.05 0.00 0.00 67 S 7.97 4.24 0.00 4.16 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 68 F 7.67 4.36 0.00 3.28 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 69 I 7.75 3.35 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 1.01 0.00 0.00 70 T 7.19 4.51 4.58 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 1.26 0.00 0.00 71 S 8.14 4.56 0.00 4.08 4.17 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 72 G 7.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.49 0.00 1.28 1.90 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 74 V 8.25 4.47 2.14 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 0.60 0.00 0.00 0.92 0.00 0.00 75 F 8.65 5.47 0.00 3.22 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 76 A 9.05 4.62 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 77 M 8.57 5.20 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.55 0.00 78 V 8.15 4.87 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 0.95 0.00 0.00 0.28 0.00 0.00 79 W 9.05 5.23 0.00 3.35 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 9.25 5.69 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 81 G 8.51 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 82 A 8.26 3.97 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 83 D 9.10 4.62 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 7.95 4.11 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 85 T 8.00 3.91 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 86 R 7.93 3.72 0.00 1.68 2.22 0.00 3.11 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.23 0.00 87 Q 7.93 3.96 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 88 V 8.00 3.60 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 0.80 0.00 0.00 0.87 0.00 0.00 89 R 7.84 3.93 0.00 2.02 2.03 0.00 3.30 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 90 Q 8.00 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 91 L 8.00 4.06 0.00 1.74 1.64 0.79 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.09 4.03 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 93 G 7.80 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 94 A 8.17 4.16 1.24 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 0.00 0.00 0.00 95 T 8.47 3.83 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 96 D 7.91 4.41 0.00 2.67 2.54 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 97 A 8.30 4.33 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 98 Q 8.00 4.06 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.39 0.00 99 D 8.22 4.59 0.00 2.73 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 0.00 100 A 7.34 4.11 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 0.00 101 A 8.27 4.36 1.24 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 0.00 0.00 0.00 102 P 0.00 4.41 0.00 2.15 2.04 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 103 G 9.03 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 0.00 104 T 7.44 4.48 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 0.00 105 I 8.20 3.33 1.84 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 1.50 0.61 1.05 0.00 0.00 106 R 8.11 4.09 0.00 2.09 1.97 0.00 3.31 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 107 G 8.02 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 0.00 0.00 0.00 108 D 7.72 4.52 0.00 2.00 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 0.00 0.00 0.00 0.00 109 Y 7.97 4.98 0.00 3.06 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 0.00 110 G 7.79 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 0.00 0.00 0.00 111 N 8.38 5.04 0.00 2.61 2.72 0.00 0.00 6.77 8.47 0.00 0.00 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 D 7.85 4.62 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.35 4.17 0.00 1.71 1.57 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.99 3.50 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 0.00 115 H 7.51 4.12 0.00 3.02 3.28 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.33 4.97 0.00 2.85 3.12 0.00 0.00 6.35 6.67 0.00 0.00 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 L 10.27 4.54 0.00 1.87 2.19 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.44 5.07 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.99 0.00 0.00 119 H 9.16 5.06 0.00 3.44 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.32 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.69 4.75 0.00 3.92 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 0.00 122 D 8.73 4.69 0.00 2.73 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 0.00 123 H 8.84 4.38 0.00 3.34 3.50 0.00 5.57 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.20 3.99 0.00 2.09 2.00 0.00 0.00 0.00 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 2.05 0.00 125 D 7.47 4.74 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.58 4.11 0.00 2.01 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 2.33 2.26 0.00 127 G 9.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.85 4.20 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 0.00 129 N 8.02 4.62 0.00 3.13 3.17 0.00 0.00 6.75 7.66 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 0.00 130 E 8.11 4.04 0.00 1.99 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 2.34 2.33 0.00 131 R 8.07 3.96 0.00 2.14 2.05 0.00 3.13 0.00 0.00 3.19 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 132 E 8.52 3.93 0.00 2.08 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 2.42 2.58 0.00 133 I 7.73 3.94 2.22 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 1.60 0.95 0.98 0.00 0.00 134 A 7.73 4.13 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 0.00 135 L 7.77 3.96 0.00 1.55 1.80 0.81 0.40 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 0.00 136 F 7.87 4.28 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 F 8.20 4.85 0.00 3.15 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 0.00 138 D 8.50 4.95 0.00 2.75 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 0.00 139 D 8.45 4.49 0.00 2.73 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 0.00 140 D 8.13 4.82 0.00 2.69 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 0.00 141 E 8.01 4.59 0.00 2.39 2.28 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 2.37 2.32 0.00 142 L 7.30 4.72 0.00 1.51 1.51 0.90 0.28 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 0.00 143 V 8.57 4.35 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 0.74 0.00 0.00 0.88 0.00 0.00 144 D 8.90 5.02 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 W 8.57 5.30 0.00 3.52 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 0.00 146 D 8.71 4.55 0.00 2.66 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 0.00 147 R 7.68 4.24 0.00 1.02 1.59 0.00 3.26 0.00 0.00 3.51 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 148 D 8.76 4.56 0.00 2.81 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 0.00 149 A 8.05 4.25 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 0.00 150 S 8.06 4.17 0.00 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.61 3.96 1.08 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 0.00 152 W 7.78 4.61 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 0.00 153 V 7.66 3.65 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 0.07 0.00 0.00 0.87 0.00 0.00 154 Y 7.10 4.86 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 0.00 155 E 8.75 4.18 0.00 1.99 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 2.21 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.