NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4050 8.3349 115.4135 58.3911 64.3356 172.5098 1 M 4.5484 8.4335 120.5267 52.7066 33.4462 170.4041 2 V 4.4073 10.1861 125.4332 61.0451 35.6540 173.8445 3 V 4.6621 8.3988 127.3743 61.2348 33.7362 174.0237 4 A 4.8217 8.6035 128.6622 49.9714 22.2182 174.8644 5 V 4.6926 8.6017 121.3683 61.4068 34.2032 174.1331 6 Y 5.5640 9.7075 129.4757 54.6417 39.8880 172.6172 7 P 5.1691 0.0000 0.0000 61.4303 33.7976 174.8768 8 G 2.9331 7.6795 107.4934 46.3241 0.0000 174.5701 9 T 3.6581 8.0580 116.6437 64.6330 69.5719 175.4730 10 F 3.8571 7.0666 118.2085 58.9717 36.4630 175.2056 11 D 5.2577 7.6887 119.7896 51.8273 41.2010 172.0183 12 P 5.3766 0.0000 0.0000 59.3515 34.1866 175.6332 13 L 4.0784 8.4350 120.2808 56.1185 42.0783 177.1125 14 T 4.6034 8.6593 116.3609 60.3337 72.3317 175.6786 15 R 3.8528 8.7332 120.2285 58.9126 29.8544 179.8195 16 G 3.4875 7.8056 105.2339 48.0698 0.0000 175.2060 17 H 4.6183 7.9424 120.5608 58.0719 28.7794 177.5099 18 E 4.0122 8.5297 121.0992 59.3593 29.3993 178.3744 19 D 4.3762 8.2078 118.1716 57.2466 41.2819 178.2243 20 L 3.9022 7.9182 119.3879 57.5094 41.5520 179.5901 21 V 3.3926 7.8287 118.2576 65.8813 31.3652 177.6851 22 R 3.3667 7.7741 118.3797 59.5647 28.9359 178.4703 23 R 3.8842 8.0936 117.2094 59.3482 30.1145 179.0431 24 A 4.3209 8.3598 121.1162 55.0880 18.1798 179.6097 25 S 4.2322 7.9788 111.5307 60.6278 63.3304 176.0796 26 S 4.3090 7.6365 116.9222 59.9045 63.1037 175.4667 27 I 3.8831 6.6942 123.2115 62.1074 38.0333 175.9933 28 F 4.7812 7.1110 116.5261 56.2355 40.3249 175.8240 29 D 4.6359 8.5776 123.6946 57.3631 41.3331 177.3205 30 T 4.8449 7.9269 113.8233 61.4866 72.8903 172.6996 31 L 5.0818 9.0042 127.9690 53.3531 44.9447 175.1067 32 V 4.5750 8.7725 127.8988 61.3217 33.1460 174.9926 33 V 4.3581 9.3561 130.3839 62.6660 32.6352 175.0942 34 G 4.1645 9.1211 117.2372 44.6848 0.0000 172.5918 35 V 4.4067 9.0355 128.5845 61.4998 32.3061 175.0679 36 A 3.0328 8.2846 131.4517 51.2999 18.2585 176.3609 37 D 4.1562 8.2748 123.5564 56.1625 41.9943 178.0636 38 S 3.6272 7.8688 112.1226 58.8007 60.9064 174.3754 39 R 3.7869 8.2890 120.9532 59.6158 29.8697 177.9709 40 A 4.0090 7.9080 118.5044 55.0619 18.4246 178.3215 41 K 4.0380 8.0255 113.1089 56.7976 32.7594 177.0757 42 K 3.7700 7.7540 117.3869 56.7149 29.6741 173.1253 43 P 4.5442 0.0000 0.0000 62.2161 32.6120 177.1197 44 F 4.2505 9.8654 124.9936 60.8850 39.4647 175.6768 45 F 4.7681 8.4068 117.9701 55.7617 40.5011 176.3487 46 S 4.4232 8.9100 119.0305 57.6624 65.0222 175.2480 47 L 3.8389 8.3193 123.2279 58.4062 41.7591 178.5758 48 E 3.8849 8.0663 118.5959 59.2906 29.6034 178.4417 49 E 3.4829 8.0847 118.6424 59.3269 29.5002 179.5904 50 R 3.6732 8.0985 118.3593 58.8460 30.0559 179.1865 51 L 3.8691 7.8660 118.8365 57.6575 41.5880 179.5511 52 K 3.8375 7.7411 118.2507 59.4921 31.7026 179.1207 53 I 3.2763 7.2709 120.0684 64.4614 36.8988 178.3598 54 A 3.8846 7.7802 121.1262 55.1325 18.1998 179.3981 55 N 4.2324 8.5990 115.3879 56.4603 38.3569 177.3720 56 E 3.9794 8.1774 119.3213 59.5193 29.6408 179.2941 57 V 3.6464 7.3544 116.8065 64.9349 31.9320 177.1437 58 L 4.7206 8.1311 117.0119 54.8310 42.1588 178.5882 59 G 3.6687 8.0232 106.0876 47.8276 0.0000 174.4958 60 H 4.2673 7.9426 114.7276 57.4597 28.9503 174.8787 61 Y 4.3182 7.7942 120.4903 56.5446 38.0144 174.7501 62 P 4.2956 0.0000 0.0000 65.0173 31.8743 176.6386 63 N 4.9586 8.2494 115.2010 52.3991 38.7198 173.9008 64 V 4.8086 7.5382 119.5319 61.8034 33.1768 174.9996 65 K 4.6952 9.0050 127.3538 54.5871 35.0364 175.1563 66 V 4.7684 8.3773 123.8622 61.5765 33.2295 174.6239 67 M 4.9715 9.3056 126.8768 53.7963 36.6969 174.8548 68 G 4.4001 8.7667 108.8735 45.4599 0.0000 172.8529 69 F 5.2706 8.6243 115.1108 55.4940 41.2290 175.1246 70 T 4.3993 8.9825 109.8592 61.3328 70.4040 174.8440 71 G 4.3987 7.7685 112.0401 45.0979 0.0000 173.2807 72 L 4.3292 8.4318 121.6175 54.1266 43.7891 177.2345 73 L 3.7064 8.7572 124.4514 58.1794 42.0513 179.0129 74 K 3.7575 8.1910 119.0623 60.0354 32.0897 177.8307 75 D 4.3353 8.0769 117.3241 57.0931 41.0616 177.8067 76 F 4.0147 7.9808 121.0545 60.9824 39.4304 177.2399 77 V 3.4160 8.1295 118.2300 66.1292 31.2841 178.0947 78 R 3.8212 7.9428 117.3817 59.3209 29.6966 178.8416 79 A 3.9167 7.5539 118.9188 54.6331 18.3209 178.4102 80 N 4.4790 7.1738 112.1301 51.8575 39.2005 174.6610 81 D 4.2495 7.8372 118.9488 55.1646 39.1663 173.4340 82 A 4.6718 7.5659 119.8662 51.0636 20.7329 178.0113 83 R 4.5558 8.2588 118.7332 55.7943 32.2845 175.7025 84 V 4.7512 7.3818 119.3281 60.9320 35.2537 173.8226 85 I 4.7640 8.5112 128.4965 59.6175 39.2299 174.7742 86 V 4.5575 8.9917 128.1618 62.1553 32.9907 175.0203 87 R 5.1208 8.6731 125.0873 54.4731 34.6990 174.4969 88 G 4.3444 9.1078 109.1498 45.7132 0.0000 172.8643 89 L 4.9550 9.2918 123.6305 52.7694 44.6043 176.2211 90 R 4.6330 8.5011 121.5818 54.1897 32.6708 176.9225 91 A 4.1089 7.7690 125.3281 52.3171 16.4500 178.1140 *95 F 4.5152 8.1887 121.8658 56.6561 40.8775 177.5748 96 E 3.9915 8.0913 117.9272 62.2989 29.2085 183.5047 97 Y 4.2577 8.0420 119.0257 60.8535 38.9163 178.4518 98 E 4.1714 8.4201 121.1815 60.1843 29.6179 179.9248 *99 F 4.2059 8.1557 120.6063 61.6302 38.0828 179.7720 100 Q 4.0861 7.8583 117.6018 59.1258 28.4655 178.3441 101 M 3.7605 8.0201 119.2667 58.6559 32.2139 178.1046 102 A 4.0593 8.2606 120.9457 55.1249 18.0908 179.8771 103 G 3.5431 8.5692 104.6830 48.2777 0.0000 175.9416 104 M 3.9209 8.5501 121.6133 58.1289 31.9653 178.6197 105 N 4.4328 8.5438 116.7679 55.9790 38.4943 177.6205 106 R 4.1078 8.0770 122.4145 59.7704 29.8250 179.0763 *107 Y 4.0720 7.1142 119.4954 61.6102 37.1646 180.5707 108 L 4.5149 7.8734 119.8372 56.0531 43.2863 177.4702 109 L 4.7490 8.2467 118.7354 52.1052 42.0099 175.1435 110 P 4.5692 0.0000 0.0000 64.3719 31.9047 177.2175 111 D 4.6510 7.9922 115.1065 53.1634 39.7693 175.6739 112 V 4.3601 7.4309 120.4819 61.8902 32.9949 174.7594 113 E 4.5745 9.1240 127.5549 55.0744 31.4258 175.2355 114 T 4.4511 8.3640 121.7881 63.3077 69.8174 173.9365 115 M 4.5817 8.9169 126.4019 53.4604 35.0350 174.6694 116 F 5.3186 8.7672 122.8111 56.7847 40.5947 175.2014 117 M 4.9945 9.3235 122.4850 53.6967 36.1572 174.2882 118 T 5.2091 8.5307 114.6528 58.5553 69.9557 172.0894 119 P 4.7106 0.0000 0.0000 62.0278 32.5998 175.9738 120 S 4.3017 9.1032 115.3652 58.7421 63.7253 175.5811 121 D 4.3777 8.9324 122.3809 57.8366 40.5177 179.4073 122 Q 4.1078 7.7095 113.7261 57.9612 28.4702 175.9496 123 Y 4.9014 7.5206 115.7882 57.9022 38.8176 177.4571 124 Q 3.9051 8.0011 119.6227 58.0673 28.7367 177.2176 125 F 4.7896 7.8071 113.2894 56.8466 39.9348 175.4416 126 I 3.6387 7.5201 122.2979 61.2784 37.2092 175.7580 127 S 4.8110 8.3014 119.7703 56.1510 64.9133 174.7397 128 G 3.6176 8.5979 115.7084 48.1926 0.0000 175.7565 129 T 3.8231 7.8117 117.6148 66.5667 68.4560 176.6197 130 I 3.6569 7.5705 121.3180 64.0783 37.0546 178.4069 131 V 3.5825 7.9109 119.4810 66.3693 31.2559 178.3851 132 R 3.7078 8.0499 117.5295 59.0269 29.8312 178.7384 133 E 3.8121 8.1216 119.0900 59.2445 29.5903 178.9177 134 I 3.6630 8.0048 119.8847 64.4078 37.2275 178.3242 135 A 4.2980 8.0057 122.9077 54.8344 17.9967 179.7324 136 Q 4.0036 8.1931 115.7913 58.2743 28.7829 177.7682 137 L 4.4799 7.5549 118.2074 54.2737 41.8221 177.2748 138 G 3.8933 8.0682 107.2275 45.6333 0.0000 173.7809 139 G 4.0898 8.2246 108.8157 43.4981 0.0000 173.2996 140 D 4.6709 8.4746 121.4428 53.8712 42.1381 176.5774 141 V 4.5941 8.7118 119.3807 61.1638 32.3332 177.9963 142 S 4.5132 8.3245 116.6503 60.6083 62.9312 175.5632 143 K 3.8789 7.4177 119.5976 58.0625 32.0399 177.3719 144 F 5.0777 8.0560 116.6814 57.4097 41.0189 175.5484 145 V 4.7568 7.3308 111.4328 58.3417 35.6636 175.6388 146 F 4.3335 8.5559 120.2735 56.7530 40.9890 174.7304 147 P 4.3685 0.0000 0.0000 66.1724 30.9376 179.1571 148 S 4.2722 8.2220 112.5059 61.4246 62.9237 176.6384 149 V 3.7944 7.9438 121.4847 65.6869 31.3423 177.2988 150 E 4.1134 8.5538 121.7110 59.8598 29.3912 179.6945 151 K 4.0227 8.1217 123.2349 59.6454 31.8228 181.2050 152 W 4.4476 8.0647 120.7055 59.6214 28.9082 178.5933 153 L 4.5811 8.6735 118.9571 58.4425 41.1066 179.6635 154 T 4.0223 8.5703 118.3663 67.3416 68.3120 177.1626 155 E 3.9914 8.4251 120.0550 61.1098 29.7456 180.9212 156 K 4.1759 8.4881 121.2256 59.1665 32.2947 179.1300 157 V 3.7476 8.4393 118.7239 65.9990 31.2819 177.8378 158 A 4.0126 8.1049 119.2669 55.2642 18.3235 179.2631 159 A 4.1254 8.2452 118.5946 54.8341 18.4611 179.6181 160 M 4.1238 8.0132 115.3441 58.5914 31.5523 176.9119 161 A 4.2980 7.7607 125.3090 51.7657 18.7672 176.8698 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 S 8.33 4.41 0.00 4.00 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 1 M 8.43 4.55 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 V 10.19 4.41 2.29 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 1.03 0.00 0.00 1.00 0.00 0.00 3 V 8.40 4.66 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 0.88 0.00 0.00 0.89 0.00 0.00 4 A 8.60 4.82 0.44 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 5 V 8.60 4.69 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 1.14 0.00 0.00 0.81 0.00 0.00 6 Y 9.71 5.56 0.00 2.97 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 7 P 0.00 5.17 0.00 2.24 2.10 0.00 4.24 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 8 G 7.68 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 0.00 0.00 0.00 9 T 8.06 3.66 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 10 F 7.07 3.86 0.00 3.18 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 11 D 7.69 5.26 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 5.38 0.00 2.25 2.15 0.00 3.62 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 13 L 8.44 4.08 0.00 1.53 1.67 0.51 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.66 4.60 4.44 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 1.29 0.00 0.00 15 R 8.73 3.85 0.00 1.58 1.25 0.00 3.22 0.00 0.00 2.99 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.37 0.00 16 G 7.81 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.94 4.62 0.00 3.53 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.53 4.01 0.00 2.34 2.35 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 2.45 2.52 0.00 19 D 8.21 4.38 0.00 2.78 2.79 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 20 L 7.92 3.90 0.00 1.80 1.28 0.95 0.64 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 21 V 7.83 3.39 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 0.69 0.00 0.00 1.13 0.00 0.00 22 R 7.77 3.37 0.00 1.93 2.10 0.00 3.29 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 23 R 8.09 3.88 0.00 1.98 1.94 0.00 3.21 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 24 A 8.36 4.32 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 25 S 7.98 4.23 0.00 4.14 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 26 S 7.64 4.31 0.00 3.98 4.01 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 27 I 6.69 3.88 1.21 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.61 0.13 0.00 0.00 28 F 7.11 4.78 0.00 3.03 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.58 4.64 0.00 2.69 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 30 T 7.93 4.84 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 1.21 0.00 0.00 31 L 9.00 5.08 0.00 1.78 1.51 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.77 4.58 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 0.83 0.00 0.00 0.88 0.00 0.00 33 V 9.36 4.36 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 0.52 0.00 0.00 0.95 0.00 0.00 34 G 9.12 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 0.00 0.00 0.00 35 V 9.04 4.41 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 1.03 0.00 0.00 0.96 0.00 0.00 36 A 8.28 3.03 0.74 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 37 D 8.27 4.16 0.00 2.61 2.56 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 38 S 7.87 3.63 0.00 3.93 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 39 R 8.29 3.79 0.00 1.78 1.92 0.00 3.16 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 40 A 7.91 4.01 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 41 K 8.03 4.04 0.00 1.86 1.81 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.33 7.81 42 K 7.75 3.77 0.00 1.84 1.80 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.37 7.81 43 P 0.00 4.54 0.00 2.22 2.00 0.00 3.66 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 2.14 2.07 0.00 44 F 9.87 4.25 0.00 2.72 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 45 F 8.41 4.77 0.00 3.15 2.78 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 0.00 0.00 0.00 46 S 8.91 4.42 0.00 4.03 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 47 L 8.32 3.84 0.00 1.86 1.66 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.07 3.88 0.00 2.06 1.91 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 2.36 2.39 0.00 49 E 8.08 3.48 0.00 2.22 1.47 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 2.43 2.38 0.00 50 R 8.10 3.67 0.00 1.89 1.92 0.00 3.45 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 51 L 7.87 3.87 0.00 1.77 1.65 0.90 0.78 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 52 K 7.74 3.84 0.00 1.58 1.92 0.00 1.83 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.62 7.81 53 I 7.27 3.28 1.51 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.36 0.67 0.00 0.00 54 A 7.78 3.88 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 55 N 8.60 4.23 0.00 2.78 2.87 0.00 0.00 7.03 7.62 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 56 E 8.18 3.98 0.00 2.12 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 0.00 2.44 2.61 0.00 57 V 7.35 3.65 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 0.57 0.00 0.00 0.99 0.00 0.00 58 L 8.13 4.72 0.00 1.75 1.75 0.81 1.20 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 59 G 8.02 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 60 H 7.94 4.27 0.00 3.08 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.79 4.32 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 62 P 0.00 4.30 0.00 2.20 2.21 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 63 N 8.25 4.96 0.00 2.98 3.07 0.00 0.00 5.78 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 64 V 7.54 4.81 2.29 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 0.79 0.00 0.00 0.83 0.00 0.00 65 K 9.00 4.70 0.00 1.75 1.69 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 66 V 8.38 4.77 2.23 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 0.75 0.00 0.00 0.89 0.00 0.00 67 M 9.31 4.97 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 68 G 8.77 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 0.00 0.00 0.00 0.00 69 F 8.62 5.27 0.00 3.00 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 70 T 8.98 4.40 4.21 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 1.18 0.00 0.00 71 G 7.77 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 0.00 0.00 0.00 0.00 72 L 8.43 4.33 0.00 1.76 1.64 0.95 0.48 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 73 L 8.76 3.71 0.00 1.87 1.72 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.19 3.76 0.00 1.85 1.84 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.52 7.81 75 D 8.08 4.34 0.00 2.85 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 76 F 7.98 4.01 0.00 2.59 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 77 V 8.13 3.42 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 0.91 0.00 0.00 0.94 0.00 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0.00 0.00 0.00 106 R 8.08 4.11 0.00 2.07 1.97 0.00 3.11 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 *107 Y 7.11 4.07 0.00 2.27 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 0.00 0.00 0.00 108 L 7.87 4.51 0.00 1.62 1.75 0.92 0.70 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 0.00 109 L 8.25 4.75 0.00 1.71 1.50 0.89 0.97 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 0.00 110 P 0.00 4.57 0.00 2.02 2.10 0.00 3.70 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 111 D 7.99 4.65 0.00 2.75 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 0.00 112 V 7.43 4.36 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 0.70 0.00 0.00 0.94 0.00 0.00 113 E 9.12 4.57 0.00 1.82 1.80 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 2.22 2.40 0.00 114 T 8.36 4.45 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 0.49 0.00 0.00 115 M 8.92 4.58 0.00 1.92 1.91 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 2.45 2.47 0.00 116 F 8.77 5.32 0.00 2.99 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 0.00 117 M 9.32 4.99 0.00 1.92 1.91 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 2.54 2.48 0.00 118 T 8.53 5.21 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 1.22 0.00 0.00 119 P 0.00 4.71 0.00 2.42 2.14 0.00 3.95 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 120 S 9.10 4.30 0.00 3.84 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 0.00 121 D 8.93 4.38 0.00 2.65 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 0.00 122 Q 7.71 4.11 0.00 1.93 2.03 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.35 0.64 0.80 0.00 0.00 131 V 7.91 3.58 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 1.14 0.00 0.00 0.91 0.00 0.00 132 R 8.05 3.71 0.00 1.89 1.61 0.00 3.04 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 133 E 8.12 3.81 0.00 2.05 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 0.00 2.26 2.30 0.00 134 I 8.00 3.66 2.05 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 1.48 0.69 1.01 0.00 0.00 135 A 8.01 4.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.19 4.00 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.19 1.94 0.00 137 L 7.55 4.48 0.00 1.63 1.69 0.91 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 0.00 138 G 8.07 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 0.00 0.00 0.00 139 G 8.22 4.09 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 0.00 0.00 0.00 140 D 8.47 4.67 0.00 2.65 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 0.00 141 V 8.71 4.59 2.41 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 0.95 0.00 0.00 1.10 0.00 0.00 142 S 8.32 4.51 0.00 3.95 4.18 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 0.00 143 K 7.42 3.88 0.00 0.79 1.39 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 1.08 7.81 144 F 8.06 5.08 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.33 4.76 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 0.89 0.00 0.00 1.11 0.00 0.00 146 F 8.56 4.33 0.00 3.14 3.02 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 0.00 147 P 0.00 4.37 0.00 2.24 2.19 0.00 3.88 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 2.22 2.24 0.00 148 S 8.22 4.27 0.00 4.34 4.21 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 0.00 149 V 7.94 3.79 2.37 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 1.23 0.00 0.00 1.07 0.00 0.00 150 E 8.55 4.11 0.00 2.22 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 0.00 2.36 2.45 0.00 151 K 8.12 4.02 0.00 1.84 1.80 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 152 W 8.06 4.45 0.00 3.47 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 0.00 153 L 8.67 4.58 0.00 2.09 1.94 1.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.57 4.02 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 1.25 0.00 0.00 155 E 8.43 3.99 0.00 1.98 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 2.24 2.19 0.00 156 K 8.49 4.18 0.00 2.06 1.84 0.00 1.68 0.00 0.00 0.86 0.00 0.00 2.56 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.50 1.22 7.81 157 V 8.44 3.75 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 1.06 0.00 0.00 1.18 0.00 0.00 158 A 8.10 4.01 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 0.00 159 A 8.25 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 M 8.01 4.12 0.00 2.37 2.26 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 2.66 2.89 0.00 161 A 7.76 4.30 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 * Residues marked with a * may have inaccurate shift predictions.