NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3348 8.2393 119.7180 55.0304 31.5438 174.9524 3 P 3.9677 0.0000 0.0000 62.3313 31.6225 174.4879 4 I 2.5230 8.4512 125.6136 59.1467 38.9233 175.3948 5 P 4.3237 0.0000 0.0000 62.1803 31.9000 175.4152 6 E 4.1845 8.5839 122.9565 57.6007 29.9732 177.2354 7 G 3.9710 8.9523 114.2201 45.1908 0.0000 172.7640 8 Y 4.2207 7.8987 121.6673 58.3645 39.6647 174.6556 9 E 5.2672 8.3084 126.5893 54.3431 32.1095 174.6301 10 A 4.8550 9.0221 127.3115 50.2699 22.6786 175.2221 11 V 5.0529 8.4476 112.6906 59.5380 36.0399 174.8932 12 F 4.9648 9.2971 124.7693 56.5992 42.2912 173.3157 13 E 4.8979 8.1147 124.8482 54.9924 32.4325 174.9905 14 T 4.3196 8.1974 116.6753 61.1287 71.7008 171.7379 15 V 4.5253 7.8804 121.1651 60.5026 34.4844 175.3029 16 V 3.5978 8.3410 127.8871 63.7063 32.1443 175.0840 17 T 4.6131 8.1711 118.0205 59.4999 70.8719 173.9595 18 P 4.2394 0.0000 0.0000 65.7522 31.8232 177.6046 19 E 4.1149 7.1391 120.3235 55.8819 28.3154 175.5766 *21 T 4.7909 7.3740 107.6903 61.2289 70.9554 174.7937 22 V 3.5371 7.8549 122.0424 63.4933 32.3028 174.9540 23 R 4.8448 8.7277 128.9189 55.0140 32.9535 174.1403 24 F 5.1762 8.7815 124.5590 55.3901 42.6015 175.1705 25 E 4.2900 8.7653 119.8547 57.7573 30.1285 176.5331 26 E 4.3202 9.0268 126.0376 57.1883 27.8173 176.2175 27 L 4.1233 7.8808 116.0364 55.3971 42.6671 178.2669 28 G 3.8461 8.3970 106.5600 43.8031 0.0000 170.3478 29 P 4.6886 0.0000 0.0000 63.1606 31.9555 174.8951 30 V 4.2886 8.7346 121.1800 64.2764 33.4019 175.3114 31 H 5.0918 7.8111 116.2613 52.6190 32.9320 171.8071 32 P 4.7192 0.0000 0.0000 63.1508 30.5143 175.7417 33 V 4.5969 7.4698 111.3500 60.1977 37.0956 175.1158 34 Y 4.4691 8.8020 123.3944 58.5823 38.9619 176.2755 35 A 3.9539 8.3160 128.1589 51.8167 19.3531 178.3006 36 T 3.6244 8.4351 117.7281 66.7466 69.0341 175.8468 37 Y 4.2245 7.4235 118.8014 59.3948 38.5010 176.7535 38 W 3.9153 6.9809 120.4053 57.0245 29.0410 178.4572 *40 V 3.9518 7.9139 119.6034 62.8419 32.9228 176.2832 41 K 3.9946 7.7738 120.5087 59.8669 32.1947 178.7709 42 H 4.6218 8.1216 116.2610 56.0472 28.3364 177.4353 *44 E 4.2331 8.3399 120.5058 56.4419 31.7938 178.2942 45 L 3.8235 8.0459 119.7036 58.1259 41.8238 178.9248 46 A 4.2172 8.0720 119.6884 55.1727 18.6858 179.5373 47 G 3.7375 8.0801 103.8379 47.9534 0.0000 175.7986 48 R 4.5224 8.2903 122.5503 58.5918 29.8806 178.5904 49 K 4.2288 7.8565 116.7328 58.7343 32.0342 178.9700 50 I 4.3445 7.5753 120.3561 64.1443 37.4385 177.7187 51 I 4.2344 7.8300 113.1268 63.1243 37.4750 177.7178 52 L 3.9969 7.8356 120.6901 57.6330 41.3119 177.7523 53 P 4.1803 0.0000 0.0000 64.3750 31.2752 177.5012 54 F 4.6802 7.6083 114.4178 56.2465 40.1786 176.1110 55 L 4.1698 7.1231 118.5205 54.9836 42.0536 176.9735 56 E 4.4250 9.7649 123.7416 54.2350 31.1513 175.0591 57 E 3.9795 8.6155 120.0000 58.3645 29.7284 177.1856 58 G 3.9168 8.9145 112.6176 45.8969 0.0000 172.4632 59 E 4.9579 7.9104 118.6538 55.3698 31.1182 175.2046 60 E 4.7380 9.2586 122.0812 54.7455 33.8585 173.9504 61 G 4.5327 9.2143 111.1516 44.4602 0.0000 172.6531 62 I 4.7932 8.6130 123.5758 58.8005 41.2990 175.1774 63 G 3.9312 8.8332 113.7411 46.6245 0.0000 173.0130 64 S 4.8328 8.9833 118.9722 58.9307 65.0776 173.3163 65 Y 4.9374 7.7381 118.5960 56.5554 41.9418 173.6540 66 V 4.8926 6.9798 123.2910 60.4675 34.7010 173.2400 67 E 4.7073 8.8373 119.4392 55.2078 33.2961 173.8428 68 A 5.0130 8.3592 122.0219 50.8870 22.7162 175.2608 69 R 4.4619 9.0992 123.3070 54.7144 32.5197 174.3495 70 H 4.6524 8.9084 127.1110 55.7911 29.6394 174.2291 71 L 4.4824 8.8574 126.9326 56.4531 42.6372 176.7284 72 A 4.6786 7.6941 118.1186 50.8993 22.4618 174.3243 73 S 5.0172 8.3944 114.4756 57.0349 65.9439 174.0577 74 A 4.6811 8.2807 121.7578 50.3128 21.6079 175.8024 75 L 4.6108 8.5559 122.4773 53.0818 43.2254 175.3286 76 P 4.1126 0.0000 0.0000 64.4466 32.0658 177.1151 77 G 3.7288 8.6865 110.4813 45.8668 0.0000 173.5382 *79 R 4.2146 7.5433 115.9773 55.8482 32.5530 176.2923 80 V 4.5766 8.6467 121.2193 61.1058 35.3869 173.9971 81 R 4.9144 9.0871 127.5211 54.5347 32.9094 173.9655 82 V 4.8681 9.0668 127.0780 61.1781 34.1360 174.2153 83 V 4.8192 9.3929 128.2260 61.2410 33.8017 173.8067 84 A 5.3089 9.0497 130.4100 50.3748 21.7125 175.4426 85 R 5.0932 9.0110 120.3614 54.2209 34.4878 174.4199 86 H 4.4778 9.5885 124.5601 57.0934 30.3394 174.9798 87 E 4.1798 9.3873 128.3675 57.5228 30.1425 175.9494 88 K 4.2774 7.2790 115.6166 56.6129 35.6857 173.2892 89 T 5.1928 8.5942 116.7545 61.9292 71.6643 173.6088 90 E 4.5333 9.6237 127.0538 55.1146 31.8554 177.4197 91 G 3.8590 8.3604 116.4084 46.9831 0.0000 172.8730 92 N 4.8314 8.9174 120.9764 51.9846 37.6158 173.1100 93 R 4.8992 8.1388 120.1770 55.2045 32.7888 174.3386 94 V 4.6505 8.8102 127.3419 61.7216 33.5613 173.8264 95 Y 5.2630 9.4305 126.0210 56.4180 40.1825 174.6834 96 A 5.2706 8.9568 124.7139 50.3295 23.1228 174.7739 97 R 5.0016 8.9175 119.8746 54.6238 32.7928 175.7198 98 V 5.1136 9.0036 122.3939 61.3025 35.5596 174.0090 99 E 5.2420 9.2975 123.9990 54.5521 34.0240 174.3794 100 A 5.2880 8.7887 124.1372 50.4373 22.4884 174.7173 101 Y 5.2494 9.1704 118.7414 56.2242 42.4881 175.3040 102 N 5.1613 8.7313 120.3233 51.3321 39.7782 175.3387 103 E 3.8240 8.3074 119.4125 59.3447 29.5237 177.5641 104 L 4.2033 8.0206 115.5910 54.9033 41.9314 177.4686 105 G 4.0014 8.3595 107.8838 45.1540 0.0000 173.8538 106 D 4.4598 8.2520 120.4735 53.8296 41.3673 175.5858 107 L 4.1298 8.4627 125.4903 54.6975 41.8732 176.2202 108 I 4.3275 8.4017 120.9764 61.7115 39.2563 175.5636 109 G 4.7367 7.3155 107.6386 44.7559 0.0000 172.7831 110 V 4.9401 7.9824 114.0069 59.7854 36.3574 175.1283 111 G 4.1668 9.0641 110.2791 46.2845 0.0000 171.7026 112 R 5.4822 8.6195 116.9966 55.1495 35.0987 174.7858 113 T 5.3113 9.1504 111.1272 60.2818 73.0794 172.3838 114 E 5.0164 9.2416 120.9792 54.7470 33.7891 174.8885 115 Q 4.9683 8.8216 122.0252 54.0654 33.1772 174.2717 116 V 4.6958 8.7641 123.0361 61.2982 34.0242 174.2944 117 I 4.8338 8.8569 129.1877 60.1461 38.1462 175.1754 118 L 4.8430 8.9262 126.1651 52.1776 46.8299 174.2758 119 P 4.6853 0.0000 0.0000 62.3661 32.1298 177.8843 120 K 3.8570 9.4271 122.5469 59.7153 31.8309 179.5629 121 A 3.9465 7.9004 120.4634 54.9267 18.3824 179.3954 122 K 3.7838 7.8130 117.6796 59.4827 32.3486 178.9867 123 V 3.1735 7.5853 118.4425 66.0108 31.3681 177.7781 124 E 3.9229 8.1782 118.0781 59.4169 29.2044 179.2831 125 A 3.9676 8.0561 120.8754 54.9973 18.5154 179.7527 126 L 3.8741 7.6598 117.4782 58.0900 41.7141 179.8218 127 F 4.5968 7.7322 117.7025 60.3781 38.7785 177.8183 128 R 3.9288 8.3744 118.7917 59.5448 29.9514 178.5851 129 R 4.2202 8.2100 120.0160 58.8166 30.0234 178.2201 130 L 4.0189 8.0018 119.9714 57.9355 42.0378 178.8773 131 K 4.1993 8.2333 119.7261 59.5319 31.9082 178.6529 132 E 4.0066 8.3506 118.8996 59.6052 29.2004 179.5536 133 R 4.0740 7.8653 116.8431 58.9800 30.3982 178.6525 134 W 4.5690 8.3497 128.2106 60.7058 30.5315 177.9979 135 E 3.8055 8.3910 117.3554 59.0739 28.9695 178.7634 136 A 4.1439 7.9365 119.4359 53.9965 18.4460 177.7393 137 E 4.2792 7.8543 121.7958 56.5100 29.8502 176.1692 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 2 R 8.24 4.33 0.00 2.06 2.08 0.00 3.25 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 3 P 0.00 3.97 0.00 2.17 2.02 0.00 3.77 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 1.96 2.03 0.00 4 I 8.45 2.52 1.14 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.11 0.33 0.00 0.00 5 P 0.00 4.32 0.00 2.35 2.05 0.00 3.14 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 6 E 8.58 4.18 0.00 1.93 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 2.30 2.29 0.00 7 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 8 Y 7.90 4.22 0.00 3.25 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 9 E 8.31 5.27 0.00 1.95 1.66 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 2.13 2.40 0.00 10 A 9.02 4.85 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.45 5.05 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 0.73 0.00 0.00 0.94 0.00 0.00 12 F 9.30 4.96 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.11 4.90 0.00 1.62 1.60 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 2.09 2.15 0.00 14 T 8.20 4.32 3.77 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 0.00 0.00 1.11 0.00 0.00 15 V 7.88 4.53 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 0.77 0.00 0.00 0.84 0.00 0.00 16 V 8.34 3.60 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 0.88 0.00 0.00 0.56 0.00 0.00 17 T 8.17 4.61 4.14 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 1.16 0.00 0.00 18 P 0.00 4.24 0.00 2.02 2.13 0.00 3.61 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 1.99 2.04 0.00 19 E 7.14 4.11 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 *21 T 7.37 4.79 4.41 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 1.16 0.00 0.00 22 V 7.85 3.54 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 0.84 0.00 0.00 0.88 0.00 0.00 23 R 8.73 4.84 0.00 1.79 1.76 0.00 3.30 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 24 F 8.78 5.18 0.00 3.04 2.80 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 25 E 8.77 4.29 0.00 1.96 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 2.31 2.41 0.00 26 E 9.03 4.32 0.00 2.15 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 2.18 2.31 0.00 27 L 7.88 4.12 0.00 1.83 1.82 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.40 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 29 P 0.00 4.69 0.00 2.06 2.00 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 30 V 8.73 4.29 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 0.64 0.00 0.00 1.14 0.00 0.00 31 H 7.81 5.09 0.00 3.06 3.08 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.72 0.00 2.07 2.13 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 33 V 7.47 4.60 2.21 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 0.71 0.00 0.00 0.91 0.00 0.00 34 Y 8.80 4.47 0.00 2.86 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 35 A 8.32 3.95 0.42 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 36 T 8.44 3.62 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 1.20 0.00 0.00 37 Y 7.42 4.22 0.00 3.03 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 38 W 6.98 3.92 0.00 3.02 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 *40 V 7.91 3.95 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 0.68 0.00 0.00 0.90 0.00 0.00 41 K 7.77 3.99 0.00 1.60 1.77 0.00 1.17 0.00 0.00 1.47 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.25 7.81 42 H 8.12 4.62 0.00 3.54 3.62 0.00 5.72 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 *44 E 8.34 4.23 0.00 2.19 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 2.26 2.47 0.00 45 L 8.05 3.82 0.00 1.64 1.56 0.82 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.07 4.22 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 47 G 8.08 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 0.00 0.00 0.00 48 R 8.29 4.52 0.00 1.98 2.10 0.00 3.15 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.55 0.00 49 K 7.86 4.23 0.00 2.06 1.95 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.75 7.81 50 I 7.58 4.34 2.25 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.78 1.12 0.00 0.00 51 I 7.83 4.23 1.94 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 1.87 0.90 0.96 0.00 0.00 52 L 7.84 4.00 0.00 1.76 1.79 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.18 0.00 0.96 1.74 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 54 F 7.61 4.68 0.00 2.97 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 55 L 7.12 4.17 0.00 1.69 1.63 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.76 4.43 0.00 2.11 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 2.29 2.39 0.00 57 E 8.62 3.98 0.00 1.90 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 2.30 2.41 0.00 58 G 8.91 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 59 E 7.91 4.96 0.00 2.02 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 2.33 0.00 60 E 9.26 4.74 0.00 2.02 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 2.21 2.31 0.00 61 G 9.21 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 62 I 8.61 4.79 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.98 0.00 0.00 63 G 8.83 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 64 S 8.98 4.83 0.00 3.82 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 65 Y 7.74 4.94 0.00 2.99 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 6.98 4.89 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 0.55 0.00 0.00 0.84 0.00 0.00 67 E 8.84 4.71 0.00 2.03 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 2.52 2.32 0.00 68 A 8.36 5.01 1.16 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 0.00 0.00 69 R 9.10 4.46 0.00 1.86 1.79 0.00 3.10 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 70 H 8.91 4.65 0.00 3.20 3.18 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.86 4.48 0.00 1.70 1.70 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.69 4.68 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 73 S 8.39 5.02 0.00 3.74 3.79 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 0.00 0.00 0.00 74 A 8.28 4.68 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 75 L 8.56 4.61 0.00 1.52 1.58 0.91 1.09 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 76 P 0.00 4.11 0.00 2.00 1.94 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 2.00 2.06 0.00 77 G 8.69 3.73 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 0.00 0.00 0.00 *79 R 7.54 4.21 0.00 1.74 1.81 0.00 3.00 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 80 V 8.65 4.58 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 0.86 0.00 0.00 0.48 0.00 0.00 81 R 9.09 4.91 0.00 1.86 1.79 0.00 3.05 0.00 0.00 3.02 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 82 V 9.07 4.87 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 1.16 0.00 0.00 1.17 0.00 0.00 83 V 9.39 4.82 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 0.96 0.00 0.00 1.03 0.00 0.00 84 A 9.05 5.31 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 R 9.01 5.09 0.00 1.76 1.84 0.00 3.18 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 86 H 9.59 4.48 0.00 3.29 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.39 4.18 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 2.28 2.24 0.00 88 K 7.28 4.28 0.00 1.72 1.73 0.00 1.34 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.16 7.81 89 T 8.59 5.19 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 1.30 0.00 0.00 90 E 9.62 4.53 0.00 2.15 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 2.13 2.18 0.00 91 G 8.36 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 92 N 8.92 4.83 0.00 3.04 3.01 0.00 0.00 5.37 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 93 R 8.14 4.90 0.00 1.88 2.03 0.00 3.10 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.32 0.00 94 V 8.81 4.65 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 0.97 0.00 0.00 0.93 0.00 0.00 95 Y 9.43 5.26 0.00 3.05 2.88 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 96 A 8.96 5.27 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.92 5.00 0.00 1.82 1.88 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 98 V 9.00 5.11 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 1.14 0.00 0.00 0.99 0.00 0.00 99 E 9.30 5.24 0.00 2.04 1.57 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 2.22 2.30 0.00 100 A 8.79 5.29 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 0.00 101 Y 9.17 5.25 0.00 2.90 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 0.00 102 N 8.73 5.16 0.00 2.83 2.97 0.00 0.00 6.68 6.96 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 0.00 103 E 8.31 3.82 0.00 2.06 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 2.30 2.26 0.00 104 L 8.02 4.20 0.00 1.81 1.69 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.36 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 0.00 106 D 8.25 4.46 0.00 2.84 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 0.00 107 L 8.46 4.13 0.00 1.53 1.55 0.41 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.40 4.33 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.99 0.00 0.00 109 G 7.32 4.74 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 0.00 0.00 0.00 110 V 7.98 4.94 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 0.72 0.00 0.00 0.93 0.00 0.00 111 G 9.06 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 0.00 0.00 0.00 112 R 8.62 5.48 0.00 1.97 1.95 0.00 3.45 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 113 T 9.15 5.31 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 1.23 0.00 0.00 114 E 9.24 5.02 0.00 1.97 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 1.47 2.05 0.00 115 Q 8.82 4.97 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 116 V 8.76 4.70 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 0.95 0.00 0.00 0.89 0.00 0.00 117 I 8.86 4.83 1.87 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 1.37 0.98 1.01 0.00 0.00 118 L 8.93 4.84 0.00 1.47 1.43 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.69 0.00 2.14 1.95 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 120 K 9.43 3.86 0.00 1.74 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.56 7.81 121 A 7.90 3.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.81 3.78 0.00 1.83 1.96 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 123 V 7.59 3.17 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 0.48 0.00 0.00 0.82 0.00 0.00 124 E 8.18 3.92 0.00 2.18 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 2.38 2.48 0.00 125 A 8.06 3.97 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 0.00 126 L 7.66 3.87 0.00 1.50 1.62 0.78 0.89 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 0.00 127 F 7.73 4.60 0.00 3.09 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.37 3.93 0.00 2.23 2.06 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 129 R 8.21 4.22 0.00 1.97 2.09 0.00 3.28 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 130 L 8.00 4.02 0.00 1.91 1.91 0.90 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.23 4.20 0.00 2.02 2.09 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.76 1.66 7.81 132 E 8.35 4.01 0.00 2.25 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 2.37 2.65 0.00 133 R 7.87 4.07 0.00 2.04 2.07 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 134 W 8.35 4.57 0.00 3.46 3.39 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 0.00 135 E 8.39 3.81 0.00 2.11 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 2.21 2.58 0.00 136 A 7.94 4.14 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 0.00 137 E 7.85 4.28 0.00 2.12 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 2.78 2.65 0.00 * Residues marked with a * may have inaccurate shift predictions.