NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6746 8.4444 117.3745 53.9732 29.7507 172.0763 1 M 4.0086 8.4939 117.1865 56.4377 32.4222 173.2656 2 S 4.9218 8.5623 122.4803 56.9907 66.2042 170.3134 3 T 4.6758 8.2503 114.0437 60.7496 69.7271 174.0219 4 T 4.4340 8.1377 111.0107 60.1369 70.5941 173.7169 5 L 4.5200 8.0972 123.5349 52.7988 43.6347 175.7966 6 A 4.2576 8.4526 128.8988 52.0807 19.4903 175.7317 7 I 5.0781 8.2661 121.4584 59.1745 41.7416 174.2453 8 V 4.3322 8.7878 128.3927 61.2680 34.1068 174.7640 9 R 4.5155 8.6289 127.3956 54.9595 29.0740 176.0078 10 L 4.0769 8.6013 124.9046 56.5616 42.5193 176.6213 11 D 4.7444 8.2338 119.2355 51.7579 41.5273 174.3906 12 P 4.4939 0.0000 0.0000 63.7293 31.8697 177.0961 13 G 3.8113 8.1938 107.6132 46.0938 0.0000 173.6219 14 L 4.5172 7.0860 119.5426 52.0504 43.5813 174.8667 15 P 4.3197 0.0000 0.0000 61.7559 31.9538 176.3365 16 L 4.0600 8.3331 123.1507 54.6295 42.4545 175.0965 17 P 4.7689 0.0000 0.0000 63.6153 31.6822 175.5455 18 S 4.7080 8.4070 115.8517 56.7066 67.1126 172.7491 19 R 4.3811 8.5259 121.5660 55.5952 29.6792 176.0337 20 A 4.0949 8.8264 130.4398 54.8416 18.9946 176.8775 21 H 5.0509 8.0214 111.2195 53.7062 32.8153 174.0934 22 D 4.3613 9.0942 121.8980 57.3294 40.6618 178.1794 23 G 4.0175 7.8684 103.8416 44.9240 0.0000 173.1407 24 D 4.3841 8.1249 120.7074 54.3485 41.3288 177.8236 25 A 4.1446 8.8013 126.4420 54.3483 18.6951 177.3557 26 G 4.3070 7.3169 97.8060 44.5320 0.0000 172.8191 27 V 4.7184 8.1146 113.0775 59.3272 34.5059 175.2408 28 D 4.8393 7.9804 124.2386 54.1513 41.5178 175.9561 29 L 4.4964 8.6395 123.2313 53.7049 43.9633 175.3918 30 Y 5.1634 8.2928 119.2079 56.4136 41.3640 174.5124 31 S 4.8860 9.0108 117.1709 57.9288 63.2911 174.5919 32 A 4.5472 9.1147 129.2088 53.2692 18.5371 176.7081 33 E 4.7987 8.1744 112.6372 54.2723 33.1195 175.1138 34 D 5.0633 8.6938 121.1032 53.9613 42.0400 176.2925 35 V 4.5400 8.7215 121.6480 60.4286 35.2620 172.4595 36 E 4.9771 8.7854 123.6608 54.4513 32.1282 174.7195 37 L 4.6763 9.1028 127.2863 52.7838 43.6021 176.2127 38 A 4.4737 8.5058 125.9932 50.6600 20.0596 174.6966 39 P 4.3061 0.0000 0.0000 64.5671 31.6300 177.6020 40 G 3.9663 8.9460 111.0968 45.5179 0.0000 173.5007 41 R 4.6733 7.8673 119.3534 54.9731 32.1479 175.6439 42 R 5.2797 8.4397 117.0655 54.6818 32.8745 174.1777 43 A 4.6724 8.9212 120.0016 50.5750 23.3268 175.1578 44 L 4.6978 8.4908 121.9025 53.7948 43.1702 175.6325 45 V 4.5655 8.4851 127.7331 61.0737 33.7629 175.1476 46 R 4.5668 9.1556 127.5471 56.6070 30.8268 177.1646 47 T 4.9895 8.0402 111.9230 60.2022 70.1364 175.7760 48 G 3.9726 8.9379 111.0515 45.9254 0.0000 173.1089 49 V 5.1178 7.5294 110.5294 59.3416 36.3293 174.3921 50 A 5.1309 8.7584 123.0465 50.4825 22.5586 175.5587 51 V 4.9236 8.4491 111.8052 59.7417 36.1822 175.7453 52 A 4.6344 8.4078 124.6781 49.6424 19.0422 175.3605 53 V 3.6322 8.0760 120.2832 62.2306 32.5576 174.1335 54 P 4.4516 0.0000 0.0000 62.2731 31.8848 175.5207 55 F 4.1344 8.7082 123.9536 60.0167 39.8426 175.4935 56 G 3.8047 8.3219 115.8778 44.9941 0.0000 171.9798 57 M 5.2654 7.6545 117.9534 53.3337 35.9117 175.2197 58 V 4.4759 8.8037 118.5362 60.2232 35.2553 174.7259 59 G 4.3515 8.8815 110.4717 45.2729 0.0000 172.5232 60 L 5.3188 9.0111 122.7872 52.6877 45.8503 175.6147 61 V 4.6004 8.9278 124.7193 61.9801 32.9218 174.2625 62 H 5.3970 8.9739 125.5263 53.2481 31.8797 172.5645 63 P 4.7387 0.0000 0.0000 62.4679 32.2545 176.2931 64 R 4.2533 8.3674 121.4668 55.6732 31.2906 177.6620 65 S 4.3395 8.9739 118.6681 62.2909 63.2631 176.1483 66 G 3.7538 8.2961 107.8161 48.0713 0.0000 174.7428 67 L 3.9949 8.0453 120.4355 56.9907 41.8199 179.8259 68 A 4.2450 7.7551 121.9601 54.9170 18.1232 179.8790 69 T 3.7994 7.6915 112.3023 66.9860 68.8326 176.9727 70 R 4.1403 7.8667 118.4711 58.6386 30.2068 177.9461 71 V 4.3063 7.4871 107.0963 60.0419 33.9508 176.2133 72 G 3.8511 8.3302 108.6903 45.5984 0.0000 172.7491 73 L 4.5591 7.6425 122.0842 54.9691 43.4906 175.8701 74 S 4.6890 8.9713 119.5611 57.1311 67.1757 171.7924 75 I 4.7693 8.0447 120.0561 59.4431 39.4817 176.8156 76 V 3.5314 8.7082 128.5251 65.6384 31.3794 176.5706 77 N 4.8151 7.8665 113.4324 52.2265 37.4565 174.4363 78 S 4.1220 7.7594 113.7420 58.8810 62.7318 171.9691 79 P 4.6929 0.0000 0.0000 62.0390 32.5345 176.1008 80 G 3.7099 8.8789 111.2338 46.6604 0.0000 172.3492 81 T 4.9294 8.4303 121.5302 62.1534 70.1070 174.3022 82 I 4.2152 8.6246 129.1269 59.4905 38.8130 175.5918 83 D 4.7412 8.5355 127.2251 53.5007 41.6255 177.4856 84 A 4.3672 8.1985 124.4348 54.6202 18.3202 179.1294 85 G 3.8789 7.9866 101.7212 46.4271 0.0000 173.1192 86 Y 4.3018 8.1412 123.2420 57.6374 39.1548 175.7351 87 R 4.4011 7.9600 124.0104 55.6052 31.4322 175.7927 88 G 3.5239 5.3879 107.0380 43.2702 0.0000 173.0059 89 E 4.2926 8.3554 120.0919 56.0646 30.4507 175.9524 90 I 4.3184 8.7250 127.3001 61.0506 38.2876 175.1357 91 K 5.0949 8.7312 125.4927 54.4860 35.8098 175.5495 92 V 4.2732 8.9454 122.6306 61.0001 34.2399 175.3074 93 A 4.8963 8.3166 131.1876 50.3140 17.0596 175.7789 94 L 4.6210 7.8218 121.5356 54.2849 43.7774 176.2195 95 I 4.9216 8.4810 121.8276 59.4141 42.1662 173.6366 96 N 4.9607 9.1191 128.2523 52.7021 39.1897 174.7262 97 L 4.5960 8.7707 126.3032 54.8649 42.3518 176.9441 98 D 4.6590 8.3348 120.2914 53.4749 41.3776 174.8147 99 P 4.4631 0.0000 0.0000 64.4224 32.0390 176.6842 100 A 4.4244 8.0861 117.6276 52.5192 22.3261 175.8371 101 A 4.5143 8.4815 119.3194 50.0479 19.8627 175.3737 102 P 4.6377 0.0000 0.0000 63.0344 32.6075 175.7266 103 I 4.4609 8.6048 122.8558 59.5825 39.7686 174.7127 104 V 4.4803 8.3888 126.6756 61.1461 33.2484 174.5823 105 V 4.3611 9.0024 128.5639 61.5626 33.6004 174.0717 106 H 5.4864 9.3422 125.0288 53.5525 31.6201 174.3172 107 R 4.0702 8.8170 121.9080 58.6434 30.0709 176.9443 108 G 3.9871 9.3618 114.5452 45.0650 0.0000 173.3067 109 D 4.7180 8.2262 120.3917 54.1814 42.2264 175.9071 110 R 4.5586 8.6488 121.6633 56.2231 30.2862 176.3078 111 I 4.5586 8.3672 116.0136 60.4618 39.4398 174.4799 112 A 4.6274 7.2932 123.4257 51.6423 22.5918 174.5263 113 Q 4.9233 8.7942 116.0459 54.4323 32.6116 174.2067 114 L 5.0731 8.8044 122.9510 53.5051 44.6279 175.3866 115 L 4.9443 8.8033 126.3871 53.1673 44.7457 175.5622 116 V 4.9233 8.1215 119.7347 61.4786 34.2896 174.5934 117 Q 4.7032 8.9705 124.9869 53.8798 33.5705 174.7088 118 R 4.6064 8.6517 120.2183 56.5860 30.8396 176.5586 119 V 4.4966 8.2364 121.1411 59.9063 34.6427 175.0423 120 E 4.2845 8.7069 122.6022 55.7130 29.9720 177.5729 121 L 4.3284 8.0878 126.8434 53.1206 40.3103 176.6461 122 V 3.6432 7.4749 113.8101 61.0637 32.5431 175.9156 123 E 4.2828 8.5372 124.9240 54.6472 29.4759 175.9819 124 L 3.9991 8.4902 127.4484 54.7743 42.0743 176.8618 125 V 4.2329 8.1484 123.2551 60.5800 32.8206 174.5274 126 E 4.1361 8.6771 128.8028 56.0797 30.2094 176.2459 127 V 4.5628 7.8623 118.1118 59.3312 35.4020 176.0173 128 S 4.2495 8.6747 117.7734 61.1189 63.6943 174.9768 129 S 4.4054 7.3364 113.3089 55.8618 66.5274 175.2496 130 F 4.4200 8.3188 121.7752 60.6081 38.6615 177.4683 131 D 4.3627 8.1523 117.4132 57.5452 40.9674 177.9028 132 E 4.1589 8.2501 116.6374 58.1757 29.6763 178.0505 133 A 4.4129 7.7943 119.1351 51.5009 19.2771 177.0971 134 G 3.8288 8.0584 105.1200 47.0605 0.0000 174.3454 135 L 4.5874 8.7061 116.0290 53.6791 43.0680 176.8286 136 A 4.0903 7.9656 122.5866 51.6185 18.1513 178.5203 *140 R 4.0977 8.4485 120.5099 57.1606 30.5387 175.9322 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 *0 H 8.44 4.67 0.00 2.95 2.96 0.00 7.17 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.49 4.01 0.00 2.05 2.02 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 2.58 2.59 0.00 2 S 8.56 4.92 0.00 3.82 3.74 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 3 T 8.25 4.68 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 1.23 0.00 0.00 4 T 8.14 4.43 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 1.22 0.00 0.00 5 L 8.10 4.52 0.00 1.57 1.60 0.98 1.03 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 6 A 8.45 4.26 1.26 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 0.00 0.00 7 I 8.27 5.08 1.89 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 1.25 1.23 0.93 0.00 0.00 8 V 8.79 4.33 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 0.92 0.00 0.00 0.92 0.00 0.00 9 R 8.63 4.52 0.00 1.74 2.05 0.00 3.33 0.00 0.00 3.27 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 10 L 8.60 4.08 0.00 1.64 1.74 0.92 1.02 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 11 D 8.23 4.74 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 12 P 0.00 4.49 0.00 2.21 2.14 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 13 G 8.19 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 14 L 7.09 4.52 0.00 1.60 1.44 1.00 0.93 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 15 P 0.00 4.32 0.00 1.83 1.85 0.00 2.71 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.77 0.00 16 L 8.33 4.06 0.00 1.60 1.62 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.77 0.00 2.01 2.14 0.00 3.77 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 18 S 8.41 4.71 0.00 3.85 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 19 R 8.53 4.38 0.00 1.84 1.89 0.00 3.36 0.00 0.00 3.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 20 A 8.83 4.09 1.19 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 0.00 0.00 0.00 21 H 8.02 5.05 0.00 3.33 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 9.09 4.36 0.00 2.68 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 23 G 7.87 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 24 D 8.12 4.38 0.00 2.95 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 25 A 8.80 4.14 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 26 G 7.32 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 0.00 0.00 0.00 0.00 27 V 8.11 4.72 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 0.74 0.00 0.00 0.91 0.00 0.00 28 D 7.98 4.84 0.00 2.27 2.25 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 29 L 8.64 4.50 0.00 1.51 1.54 0.91 0.96 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 30 Y 8.29 5.16 0.00 2.99 2.83 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 31 S 9.01 4.89 0.00 3.94 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 32 A 9.11 4.55 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 33 E 8.17 4.80 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 2.21 2.28 0.00 34 D 8.69 5.06 0.00 2.61 2.68 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 35 V 8.72 4.54 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.93 0.00 0.00 36 E 8.79 4.98 0.00 1.95 1.83 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 2.16 2.45 0.00 37 L 9.10 4.68 0.00 1.56 1.57 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.51 4.47 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 39 P 0.00 4.31 0.00 2.05 2.13 0.00 3.73 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 2.03 2.10 0.00 40 G 8.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.87 4.67 0.00 1.85 1.84 0.00 3.23 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 42 R 8.44 5.28 0.00 1.88 1.87 0.00 3.01 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 43 A 8.92 4.67 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 44 L 8.49 4.70 0.00 1.64 1.61 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.49 4.57 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 46 R 9.16 4.57 0.00 1.85 2.10 0.00 3.27 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 47 T 8.04 4.99 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 1.27 0.00 0.00 48 G 8.94 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.53 5.12 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 0.77 0.00 0.00 0.98 0.00 0.00 50 A 8.76 5.13 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 0.00 0.00 51 V 8.45 4.92 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 0.77 0.00 0.00 1.00 0.00 0.00 52 A 8.41 4.63 1.23 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 0.00 0.00 53 V 8.08 3.63 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 1.02 0.00 0.00 0.96 0.00 0.00 54 P 0.00 4.45 0.00 2.25 2.01 0.00 3.68 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 2.14 2.11 0.00 55 F 8.71 4.13 0.00 3.00 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 56 G 8.32 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 57 M 7.65 5.27 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 58 V 8.80 4.48 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 0.94 0.00 0.00 59 G 8.88 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 0.00 0.00 0.00 0.00 60 L 9.01 5.32 0.00 1.46 1.58 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.93 4.60 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 62 H 8.97 5.40 0.00 3.04 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.74 0.00 1.92 1.97 0.00 3.65 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 2.00 2.10 0.00 64 R 8.37 4.25 0.00 1.79 1.85 0.00 3.15 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 65 S 8.97 4.34 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 66 G 8.30 3.75 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 0.00 0.00 0.00 67 L 8.05 3.99 0.00 1.69 1.76 0.96 0.98 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 68 A 7.76 4.24 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 69 T 7.69 3.80 4.40 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 1.21 0.00 0.00 70 R 7.87 4.14 0.00 1.79 1.99 0.00 3.11 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 71 V 7.49 4.31 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 0.68 0.00 0.00 0.96 0.00 0.00 72 G 8.33 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 73 L 7.64 4.56 0.00 1.78 1.54 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.97 4.69 0.00 3.88 3.65 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 75 I 8.04 4.77 1.86 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 1.22 0.77 0.99 0.00 0.00 76 V 8.71 3.53 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 0.76 0.00 0.00 0.98 0.00 0.00 77 N 7.87 4.82 0.00 2.83 2.84 0.00 0.00 5.93 7.64 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 78 S 7.76 4.12 0.00 3.93 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 79 P 0.00 4.69 0.00 2.14 1.95 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 80 G 8.88 3.71 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 0.00 0.00 0.00 81 T 8.43 4.93 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 82 I 8.62 4.22 1.88 0.00 0.00 0.78 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 1.06 1.01 0.00 0.00 83 D 8.54 4.74 0.00 2.74 2.60 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 84 A 8.20 4.37 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 85 G 7.99 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 86 Y 8.14 4.30 0.00 3.06 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 87 R 7.96 4.40 0.00 1.63 1.76 0.00 3.38 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 88 G 5.39 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.36 4.29 0.00 1.96 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 90 I 8.73 4.32 1.93 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 1.36 0.98 0.94 0.00 0.00 91 K 8.73 5.09 0.00 1.61 1.69 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.63 7.81 92 V 8.95 4.27 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 1.05 0.00 0.00 0.93 0.00 0.00 93 A 8.32 4.90 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 94 L 7.82 4.62 0.00 1.62 1.59 0.92 0.56 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 95 I 8.48 4.92 1.86 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 1.60 0.93 0.00 0.00 96 N 9.12 4.96 0.00 2.80 2.84 0.00 0.00 7.06 7.40 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 97 L 8.77 4.60 0.00 1.68 1.67 0.91 1.01 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 98 D 8.33 4.66 0.00 2.87 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 99 P 0.00 4.46 0.00 2.22 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 100 A 8.09 4.42 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 0.00 101 A 8.48 4.51 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 4.64 0.00 1.94 2.00 0.00 3.64 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 2.02 2.12 0.00 103 I 8.60 4.46 1.86 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 0.78 0.90 0.00 0.00 104 V 8.39 4.48 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 0.64 0.00 0.00 0.91 0.00 0.00 105 V 9.00 4.36 2.19 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 0.93 0.00 0.00 0.92 0.00 0.00 106 H 9.34 5.49 0.00 3.46 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.82 4.07 0.00 1.78 1.89 0.00 3.25 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 108 G 9.36 3.99 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 0.00 0.00 0.00 109 D 8.23 4.72 0.00 2.77 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 0.00 110 R 8.65 4.56 0.00 1.66 1.73 0.00 3.15 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.66 0.00 111 I 8.37 4.56 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.97 0.00 0.00 112 A 7.29 4.63 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.79 4.92 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 114 L 8.80 5.07 0.00 1.71 1.50 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.80 4.94 0.00 1.51 1.47 0.70 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.12 4.92 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 0.81 0.00 0.00 0.93 0.00 0.00 117 Q 8.97 4.70 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 118 R 8.65 4.61 0.00 1.68 1.85 0.00 3.14 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 119 V 8.24 4.50 2.03 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 0.61 0.00 0.00 0.89 0.00 0.00 120 E 8.71 4.28 0.00 1.96 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 2.26 2.25 0.00 121 L 8.09 4.33 0.00 1.57 1.57 0.27 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.47 3.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 123 E 8.54 4.28 0.00 1.94 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 2.27 2.34 0.00 124 L 8.49 4.00 0.00 1.66 1.61 0.93 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 0.00 125 V 8.15 4.23 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 0.82 0.00 0.00 0.94 0.00 0.00 126 E 8.68 4.14 0.00 1.95 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 2.25 2.28 0.00 127 V 7.86 4.56 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 0.90 0.00 0.00 0.89 0.00 0.00 128 S 8.67 4.25 0.00 3.94 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 0.00 129 S 7.34 4.41 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.32 4.42 0.00 3.13 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 0.00 131 D 8.15 4.36 0.00 2.75 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 0.00 132 E 8.25 4.16 0.00 1.98 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 2.34 2.32 0.00 133 A 7.79 4.41 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 0.00 134 G 8.06 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 0.00 0.00 0.00 135 L 8.71 4.59 0.00 1.75 1.55 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.97 4.09 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 *140 R 8.45 4.10 0.00 1.80 1.88 0.00 3.21 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.