NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4480 8.2893 120.3268 55.3985 33.3583 175.3204 2 E 4.2386 8.4218 117.7047 56.6875 29.8586 176.7533 3 D 4.3690 7.8362 122.4269 57.5642 41.2935 179.2659 4 E 4.0021 8.1943 117.8572 59.5675 29.4239 178.9891 5 N 4.3441 7.9660 116.8431 56.0469 38.8754 177.2195 6 I 3.7146 7.4957 121.2863 64.3527 37.3225 178.3835 7 L 3.9846 7.8317 119.6180 57.8585 41.4898 179.5621 8 R 3.9075 8.0995 118.5750 59.4309 30.0004 177.9903 9 N 4.2816 8.6058 116.4740 56.5780 38.6459 177.1116 10 A 4.0131 7.8701 121.3884 55.4492 18.4167 179.4205 11 V 3.5240 7.9799 116.4986 65.8859 31.5819 177.9977 12 N 4.1416 8.3351 115.9817 56.4400 38.5752 177.1263 13 L 3.9331 8.0119 121.5816 58.0287 42.0815 178.8363 14 Q 3.9704 8.1612 118.1060 58.9570 28.5676 178.9299 15 V 3.5116 7.7850 118.9776 66.1292 31.4909 178.0025 16 L 3.9358 7.8450 118.4457 57.8497 41.5152 179.7656 17 K 4.5157 8.4375 120.0536 58.9010 31.6827 179.1629 18 F 4.1020 8.1930 120.5009 61.0907 39.3046 176.2450 19 H 4.4263 7.5356 114.7944 56.4376 29.7728 174.9902 20 Y 4.7124 8.0752 118.8142 55.4167 39.4320 173.5215 21 P 4.5052 0.0000 0.0000 64.8140 31.7236 178.3507 22 E 4.1594 8.2867 118.0304 58.6514 29.7762 176.7340 23 I 4.0694 7.8380 119.6556 61.8616 36.9509 175.5107 24 E 4.6312 9.0353 126.5266 56.5736 31.9962 175.8591 25 S 4.6947 7.8671 112.8319 56.7338 66.3616 172.5736 26 I 4.6448 8.3429 127.0760 60.4270 37.6509 175.5165 27 I 4.0888 8.9154 129.3500 63.8160 37.7226 175.7538 28 D 4.7181 7.7029 118.5729 53.5249 44.5287 173.7692 29 I 5.1396 8.3606 121.7780 59.3700 41.2258 174.6818 30 A 4.8309 9.0273 126.4383 49.1298 21.7563 177.1103 31 S 3.8519 9.1016 117.4123 60.9559 63.0787 173.1561 32 H 5.2605 8.1183 120.7503 54.3955 32.6096 171.8877 33 V 5.1743 9.4302 125.8197 61.2122 34.7558 174.1340 34 A 5.1840 9.2976 129.1294 50.6032 21.9211 175.5906 35 V 4.8865 8.2036 119.7236 61.3667 33.9536 174.1540 36 Y 4.9591 9.2268 125.0727 56.3589 41.1732 174.2768 37 Q 5.4304 9.1021 125.1904 54.4406 32.8493 173.8557 38 F 4.7547 8.8761 115.2466 55.2408 42.6839 173.7440 39 D 4.3058 8.6192 122.3193 57.1781 39.0364 178.8187 *44 K 4.0314 7.5986 118.5129 54.6678 33.6235 176.4707 45 W 3.9171 7.7100 117.6194 56.7029 29.8117 175.3457 46 L 4.7941 8.3814 120.9551 53.4362 45.2835 174.8947 47 K 3.8347 8.7357 127.9341 56.2178 32.8243 176.5829 48 T 4.5131 7.8996 118.4746 60.6166 70.2911 174.9980 49 S 4.2704 8.6202 114.8692 59.2687 63.6953 174.1221 50 I 4.3118 7.3311 123.4069 60.5595 37.2614 174.7069 51 E 5.0334 8.2972 126.1283 54.8317 33.0666 174.1822 52 G 4.0437 8.5039 114.0962 46.6028 0.0000 170.8254 53 T 5.1797 7.7032 117.4013 62.4873 70.1207 173.7889 54 F 5.2775 9.2765 129.4895 56.6717 41.7597 174.3104 55 F 5.0359 8.7003 124.4774 55.5111 42.2940 173.7201 56 L 4.7053 9.1810 127.2586 54.4731 43.3732 175.9523 57 V 5.0670 9.2028 118.5771 59.6132 36.8685 174.0089 58 K 5.2002 9.0545 123.5844 54.9148 35.4023 175.5247 59 D 5.1295 8.7479 126.9278 51.9903 42.0505 177.1009 60 Q 4.0116 8.9008 117.5128 59.5771 28.5688 178.6369 61 R 3.9951 8.1708 112.2406 56.4396 29.9438 177.0020 62 A 3.8560 8.0718 119.9244 52.3196 17.2954 178.6718 63 R 4.0863 8.4354 117.1143 56.4516 30.8508 175.6714 64 V 4.7425 8.3533 121.5212 62.2289 33.6192 175.1555 65 G 4.4132 9.2449 113.9685 46.1412 0.0000 170.6848 66 Y 5.3176 8.5025 116.6975 55.5407 41.7995 174.0537 67 V 4.7048 8.8577 122.0043 61.2239 34.4061 174.1620 68 I 5.0211 8.7960 129.0300 59.6582 39.5103 175.1065 69 L 4.6654 8.8504 129.0656 53.9189 42.2521 176.1967 70 N 4.9623 8.7647 124.0254 53.8481 38.9229 175.3447 71 R 4.2450 9.4477 125.2788 57.8939 30.2448 177.1290 72 N 4.7306 8.4612 115.5090 53.9387 39.7788 174.7386 73 S 4.5897 7.4313 109.6396 56.8045 65.1137 173.4455 74 P 4.2596 0.0000 0.0000 63.9553 30.9463 176.4113 75 E 4.3361 7.8192 120.4720 55.4436 29.1695 175.6716 76 N 5.0001 8.6607 124.3021 52.4243 40.5943 174.1920 77 L 4.7878 8.3445 122.4387 53.7546 44.6556 174.8171 78 Y 5.0843 8.4292 125.9485 56.1786 41.1871 173.8654 79 L 4.4141 7.9570 126.4885 52.6184 45.6179 176.2052 80 F 4.8787 8.2971 120.7195 57.0064 40.4748 175.7280 81 I 4.4516 8.6103 123.8440 60.0439 37.4752 175.8734 82 N 4.4718 9.0874 124.5764 55.9258 39.0040 175.5961 83 H 5.1041 7.6977 114.1978 53.2027 32.4046 172.5701 84 P 4.1600 0.0000 0.0000 65.9584 31.1891 178.5108 85 S 4.2496 8.1162 109.7744 60.3965 62.9883 174.2247 86 N 4.8579 8.6458 119.3958 53.4930 38.1868 174.2582 87 V 5.7053 7.1991 118.0503 62.5290 34.8262 173.2072 88 H 5.1481 9.0830 123.1772 54.3200 34.0211 172.2315 89 L 5.0255 8.1854 119.1273 52.2806 43.0795 176.2913 90 V 4.3940 7.9579 123.0830 62.2037 34.4508 175.0172 91 D 4.4943 9.8321 124.2419 55.5883 38.4672 174.7206 92 R 3.7309 8.1761 113.5839 56.7346 27.7763 175.8260 93 Y 4.4811 8.1102 116.5230 56.6320 40.7072 174.8377 94 L 4.7930 8.6381 124.6980 53.6533 43.2537 175.1600 95 I 4.6989 8.8366 128.7298 61.2634 38.7511 174.6692 96 H 5.4722 9.9497 126.9018 54.6041 32.6579 172.3478 97 R 4.9438 8.9228 127.4705 54.8844 29.6630 175.9023 98 T 4.0435 8.6767 123.3856 62.8232 69.4212 174.8126 99 E 4.0186 8.8173 123.3070 59.5307 30.4213 177.6112 100 N 4.5627 7.9901 116.9508 53.0004 36.6723 174.8590 101 Q 3.3385 7.9107 110.6142 57.8251 28.6774 173.7710 102 H 4.5830 7.8713 115.3806 56.0777 29.9231 174.5768 103 V 4.6979 8.5085 122.3510 61.5027 33.3599 174.0929 104 V 4.9083 9.4384 129.1535 61.1997 34.2851 174.6587 105 G 3.9192 10.1903 115.4652 44.4420 0.0000 172.1767 106 L 4.9271 8.8814 128.0002 53.2882 43.2746 176.2104 107 W 4.2472 9.1697 135.0000 55.7277 31.0903 174.7356 108 M 4.4731 7.5785 127.7776 54.8329 31.7904 177.6054 109 F 3.5230 8.9971 123.3385 59.2269 40.0720 174.9668 110 D 4.7014 7.4143 118.8030 51.5194 42.0851 174.7289 111 P 3.9647 0.0000 0.0000 65.4407 31.1844 178.1765 112 N 4.2135 7.9624 115.0649 56.5075 38.0909 176.8736 113 D 4.2751 8.1173 119.4483 57.6350 41.0337 178.2653 114 M 3.8221 7.5865 118.4079 58.9494 32.2231 178.5503 115 S 4.1542 8.1531 115.1478 61.5652 63.1133 176.6724 116 R 3.9299 8.2390 121.7149 59.4314 29.8115 178.6154 117 I 3.8902 7.8969 119.6375 63.8729 37.0834 177.9724 118 F 4.1593 8.0501 121.1138 61.5221 39.2523 176.9301 119 N 4.1792 8.1001 115.4777 56.4760 37.7869 177.5505 120 I 3.7738 7.6770 120.6715 63.9768 37.1736 178.4180 121 V 3.8274 7.8550 119.3717 66.1717 31.0448 178.3124 122 K 3.8924 7.2807 116.9441 59.4251 31.5899 178.9650 123 E 4.1062 8.1558 118.9337 59.4260 29.1955 179.4529 124 S 4.3350 9.2490 114.7522 60.5501 62.9360 174.9483 125 L 4.6526 7.6788 119.9993 54.4643 42.4007 176.6548 126 L 4.5067 6.8956 120.5314 54.5601 41.2845 176.3476 127 R 4.1977 8.7577 116.8097 56.4788 30.8016 175.3333 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.45 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 E 8.42 4.24 0.00 2.32 2.17 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 2.34 2.52 0.00 3 D 7.84 4.37 0.00 2.71 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 4 E 8.19 4.00 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 5 N 7.97 4.34 0.00 2.93 2.91 0.00 0.00 7.16 7.42 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 6 I 7.50 3.71 1.88 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 1.71 1.36 0.92 0.00 0.00 7 L 7.83 3.98 0.00 2.04 1.72 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.10 3.91 0.00 1.89 2.15 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 9 N 8.61 4.28 0.00 2.95 2.90 0.00 0.00 6.94 7.30 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 10 A 7.87 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.52 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 1.03 0.00 0.00 0.99 0.00 0.00 12 N 8.34 4.14 0.00 3.18 3.00 0.00 0.00 6.81 6.79 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 13 L 8.01 3.93 0.00 1.78 1.81 0.92 0.90 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 14 Q 8.16 3.97 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 15 V 7.78 3.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 16 L 7.84 3.94 0.00 1.61 1.58 0.60 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.44 4.52 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.50 7.81 18 F 8.19 4.10 0.00 3.00 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 19 H 7.54 4.43 0.00 2.79 2.34 0.00 5.68 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 20 Y 8.08 4.71 0.00 2.88 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 21 P 0.00 4.51 0.00 2.18 2.17 0.00 3.41 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 22 E 8.29 4.16 0.00 2.18 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 2.50 2.39 0.00 23 I 7.84 4.07 2.03 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.43 0.91 0.00 0.00 24 E 9.04 4.63 0.00 1.97 1.96 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 2.23 2.28 0.00 25 S 7.87 4.69 0.00 3.91 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 26 I 8.34 4.64 1.94 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 1.42 0.74 1.04 0.00 0.00 27 I 8.92 4.09 1.93 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 1.15 0.53 0.95 0.00 0.00 28 D 7.70 4.72 0.00 2.73 2.53 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 29 I 8.36 5.14 1.78 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 1.15 0.80 0.52 0.00 0.00 30 A 9.03 4.83 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 31 S 9.10 3.85 0.00 3.83 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 32 H 8.12 5.26 0.00 3.08 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.43 5.17 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 1.01 0.00 0.00 0.73 0.00 0.00 34 A 9.30 5.18 1.54 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 0.00 0.00 35 V 8.20 4.89 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 1.11 0.00 0.00 1.14 0.00 0.00 36 Y 9.23 4.96 0.00 2.63 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 37 Q 9.10 5.43 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.57 2.27 0.00 38 F 8.88 4.75 0.00 2.98 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 39 D 8.62 4.31 0.00 2.81 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 *44 K 7.60 4.03 0.00 1.71 1.78 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.43 7.81 45 W 7.71 3.92 0.00 3.11 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 46 L 8.38 4.79 0.00 1.65 1.45 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.74 3.83 0.00 1.42 1.59 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.09 7.81 48 T 7.90 4.51 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 1.23 0.00 0.00 49 S 8.62 4.27 0.00 4.01 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 50 I 7.33 4.31 1.95 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 1.24 1.46 1.03 0.00 0.00 51 E 8.30 5.03 0.00 2.03 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 2.40 2.49 0.00 52 G 8.50 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 0.00 0.00 0.00 0.00 53 T 7.70 5.18 4.48 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 0.94 0.00 0.00 54 F 9.28 5.28 0.00 3.04 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 55 F 8.70 5.04 0.00 2.72 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 56 L 9.18 4.71 0.00 1.89 1.71 1.21 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 V 9.20 5.07 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 0.64 0.00 0.00 0.86 0.00 0.00 58 K 9.05 5.20 0.00 1.83 1.65 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.52 7.81 59 D 8.75 5.13 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.90 4.01 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.11 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 61 R 8.17 4.00 0.00 2.03 1.91 0.00 3.44 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 62 A 8.07 3.86 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 63 R 8.44 4.09 0.00 1.92 1.74 0.00 2.21 0.00 0.00 2.50 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 64 V 8.35 4.74 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 1.17 0.00 0.00 0.99 0.00 0.00 65 G 9.24 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 0.00 0.00 0.00 0.00 66 Y 8.50 5.32 0.00 2.46 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.86 4.70 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 1.05 0.00 0.00 0.04 0.00 0.00 68 I 8.80 5.02 2.08 0.00 0.00 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 1.64 1.64 1.11 0.00 0.00 69 L 8.85 4.67 0.00 1.83 1.71 0.86 0.35 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 70 N 8.76 4.96 0.00 2.86 2.93 0.00 0.00 7.27 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 9.45 4.25 0.00 1.90 1.97 0.00 3.13 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 72 N 8.46 4.73 0.00 2.86 2.87 0.00 0.00 6.78 6.88 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 73 S 7.43 4.59 0.00 3.94 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 74 P 0.00 4.26 0.00 2.08 2.16 0.00 3.68 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 2.09 0.00 75 E 7.82 4.34 0.00 2.05 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 2.34 2.32 0.00 76 N 8.66 5.00 0.00 2.77 2.98 0.00 0.00 6.97 7.85 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 77 L 8.34 4.79 0.00 1.83 1.66 0.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.43 5.08 0.00 2.32 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 0.00 0.00 0.00 0.00 79 L 7.96 4.41 0.00 0.82 1.25 1.03 0.88 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 80 F 8.30 4.88 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.61 4.45 2.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.99 0.00 0.00 82 N 9.09 4.47 0.00 2.63 2.71 0.00 0.00 6.94 8.16 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 83 H 7.70 5.10 0.00 3.17 3.12 0.00 5.68 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 84 P 0.00 4.16 0.00 2.16 2.08 0.00 3.63 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 2.11 2.11 0.00 85 S 8.12 4.25 0.00 4.03 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 0.00 86 N 8.65 4.86 0.00 3.01 3.02 0.00 0.00 6.30 7.36 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 87 V 7.20 5.71 2.27 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 0.89 0.00 0.00 1.04 0.00 0.00 88 H 9.08 5.15 0.00 3.19 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.19 5.03 0.00 1.06 1.30 0.42 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.96 4.39 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 0.96 0.00 0.00 0.99 0.00 0.00 91 D 9.83 4.49 0.00 3.16 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.18 3.73 0.00 1.88 1.77 0.00 2.99 0.00 0.00 3.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 93 Y 8.11 4.48 0.00 3.01 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.79 0.00 1.56 1.48 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.84 4.70 2.09 0.00 0.00 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 1.42 1.06 1.15 0.00 0.00 96 H 9.95 5.47 0.00 3.31 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.68 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 4.94 0.00 1.98 1.94 0.00 3.38 0.00 0.00 3.26 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 98 T 8.68 4.04 4.27 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 1.26 0.00 0.00 99 E 8.82 4.02 0.00 2.05 1.98 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 2.27 2.35 0.00 100 N 7.99 4.56 0.00 2.88 2.93 0.00 0.00 6.04 7.01 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 0.00 101 Q 7.91 3.34 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.99 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 102 H 7.87 4.58 0.00 3.18 3.28 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.51 4.70 1.75 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 0.92 0.00 0.00 0.67 0.00 0.00 104 V 9.44 4.91 2.32 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 1.19 0.00 0.00 1.10 0.00 0.00 105 G 10.19 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 0.00 106 L 8.88 4.93 0.00 1.58 1.44 0.43 0.64 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 0.00 107 W 9.17 4.25 0.00 3.25 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 0.00 108 M 7.58 4.47 0.00 1.93 1.54 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 109 F 9.00 3.52 0.00 2.96 3.30 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 0.00 110 D 7.41 4.70 0.00 2.49 2.45 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 0.00 111 P 0.00 3.96 0.00 2.06 1.88 0.00 3.56 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 2.00 1.98 0.00 112 N 7.96 4.21 0.00 2.83 2.83 0.00 0.00 6.97 9.28 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 0.00 113 D 8.12 4.28 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 7.59 3.82 0.00 2.02 1.70 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 115 S 8.15 4.15 0.00 3.87 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 0.00 116 R 8.24 3.93 0.00 1.85 2.00 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 117 I 7.90 3.89 1.89 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 1.52 0.54 1.02 0.00 0.00 118 F 8.05 4.16 0.00 3.17 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.10 4.18 0.00 2.95 2.84 0.00 0.00 7.11 6.95 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 0.00 120 I 7.68 3.77 1.89 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 1.41 1.13 0.93 0.00 0.00 121 V 7.85 3.83 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 1.01 0.00 0.00 1.02 0.00 0.00 122 K 7.28 3.89 0.00 1.73 1.71 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.94 1.02 7.81 123 E 8.16 4.11 0.00 2.13 1.98 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 2.30 2.49 0.00 124 S 9.25 4.34 0.00 3.91 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 0.00 125 L 7.68 4.65 0.00 1.79 1.68 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 126 L 6.90 4.51 0.00 1.83 1.09 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.76 4.20 0.00 1.99 1.92 0.00 3.49 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.