NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4877 8.3344 115.5522 57.5877 65.3057 173.3434 4 K 4.1563 8.1086 123.4401 56.1204 32.8623 174.3071 5 I 4.5420 9.3285 130.2164 59.1343 40.4949 174.2455 6 A 4.2595 8.7124 129.8123 52.1955 18.1237 176.6981 7 L 4.4589 8.7526 123.2331 56.0934 43.6640 177.2800 8 F 4.6118 7.8207 119.4579 57.2766 42.9318 173.1843 9 D 4.7828 7.6381 125.3916 53.5237 42.2112 173.3723 10 Q 4.4637 8.9442 124.7938 54.3169 33.4138 172.8914 11 T 4.9766 8.4275 120.5498 62.6774 69.6903 174.2039 12 L 5.0208 9.2034 125.8713 52.8526 46.1460 175.4936 13 I 4.7104 8.3778 121.5366 60.7802 38.1066 175.1836 14 A 4.9673 9.1913 127.9199 50.2581 23.3853 174.5227 15 S 5.0030 8.9662 115.7699 57.1595 65.0722 173.2108 16 L 5.1608 9.1473 127.3508 53.3706 44.0877 174.8341 17 L 5.5840 9.2173 126.6481 53.1654 44.7705 175.5161 18 Q 5.0606 9.0042 119.6924 54.2158 32.3279 172.5306 19 P 4.2395 0.0000 0.0000 62.2085 32.1082 176.6382 20 L 4.0701 8.6139 122.6386 57.8797 41.9236 177.2655 21 S 4.5380 7.8266 110.6145 57.3797 65.7918 175.3168 22 L 4.0363 8.5664 119.5607 57.3171 41.2545 178.0115 23 N 4.6789 7.9033 113.4993 52.9690 39.7622 174.7446 24 Q 4.4736 7.6399 117.6950 53.2532 29.6623 174.4262 25 P 4.1586 0.0000 0.0000 64.9255 32.0327 177.4632 26 D 4.6058 7.9090 117.8042 54.8020 41.7800 176.0519 27 F 5.1640 8.9326 120.3538 56.4016 40.8859 175.1374 28 K 4.7466 9.1436 119.9696 55.0400 35.9338 174.7420 29 A 5.1253 7.9598 122.1057 50.4886 21.9326 175.0167 30 Y 4.9443 8.6745 118.7744 55.9340 42.5634 174.9957 31 K 4.7197 8.7958 122.1721 56.7668 33.0926 176.2804 32 T 4.7146 9.0215 118.3171 60.5245 71.4112 172.5801 33 K 4.8697 8.5453 125.6572 56.0210 33.4213 176.5490 34 V 4.6407 8.9437 123.6713 60.9821 35.5643 173.9879 35 K 4.8310 9.3003 129.4280 55.7847 33.6189 174.8542 36 L 5.3106 9.2182 130.2841 53.3400 44.4895 174.9133 37 K 5.3272 9.3945 125.8206 54.6812 35.4020 175.0267 38 I 4.7888 8.9691 125.9979 59.4212 40.2212 174.9074 39 S 5.1568 8.8275 120.4224 56.6973 67.2765 172.3505 40 E 5.3093 8.9264 118.4993 54.8744 32.3099 174.8667 41 Q 4.9540 9.0289 118.8080 55.1588 32.8226 172.9454 42 R 4.7282 8.5113 121.3139 55.0079 31.0680 175.6526 43 N 4.3671 9.2741 126.2581 54.1121 39.4622 175.7090 44 E 4.0027 8.9902 125.9709 59.6087 30.0659 178.4437 45 T 4.1296 8.1411 108.0126 63.8757 69.3413 175.5724 46 S 4.3787 8.6566 115.4267 57.5384 63.9621 175.4735 47 G 3.9704 8.3929 108.3682 45.2699 0.0000 173.5003 48 E 4.3158 7.8165 119.5656 55.6384 30.9460 176.2426 49 K 4.6198 8.6526 123.7674 56.7789 33.0854 175.8999 50 E 5.1591 9.8206 126.1992 54.5334 33.8737 174.2708 51 L 4.9909 9.4862 125.5405 53.3316 44.4735 174.7209 52 K 5.0782 9.1542 128.2897 54.7480 34.6828 174.4332 53 F 5.2136 9.5508 126.6057 55.8381 41.6113 174.5567 54 E 5.3153 9.4091 122.9661 54.5040 33.4258 174.7516 55 I 5.4371 9.2001 117.8734 59.4610 41.1701 174.4974 56 S 6.0101 9.2995 117.6602 57.8378 67.0773 172.6019 57 R 5.0384 8.5040 114.2099 55.3755 31.5206 176.1920 58 S 4.4275 8.9559 115.6792 60.7127 63.5566 175.2173 59 D 4.3136 7.9764 120.5171 56.8528 40.9413 175.8890 60 D 4.3121 7.9422 119.2597 52.8820 42.9996 175.6410 61 F 4.7888 8.4297 126.7300 60.5944 39.0721 176.3383 62 E 4.2727 8.3450 117.8642 57.1138 29.8144 177.3590 63 F 4.5718 8.5383 124.3236 57.0370 38.6536 172.3551 64 L 4.7360 7.0355 119.9936 52.6664 45.6327 174.7617 65 F 5.3491 9.1376 122.8040 55.7091 43.2316 174.4939 66 S 5.2441 8.9886 115.6688 57.5948 67.0459 172.2764 67 E 5.0170 9.3853 120.4399 55.1269 33.4314 173.3614 68 T 5.1932 8.7127 119.8822 60.3727 69.7957 172.8752 69 L 4.9010 9.6372 129.4741 53.1997 44.3007 176.1234 70 N 4.8687 8.4331 121.4005 51.2211 40.3164 175.0974 71 N 3.1400 8.2526 115.5696 56.6265 38.5345 176.4412 72 E 3.8574 7.8698 119.1642 59.3447 29.7751 179.1310 73 K 3.8455 8.6796 118.8983 59.6910 32.1287 178.6785 74 Y 3.8654 8.0464 119.9121 60.7579 38.6733 178.0223 75 Q 3.9092 8.0536 118.8857 59.0126 28.6702 179.1624 76 I 3.5713 7.3627 120.7124 64.1396 37.2554 178.1676 77 L 3.7567 7.4285 120.7201 58.1164 41.7970 178.9464 78 A 3.6593 7.7001 120.9492 54.7508 18.2911 179.6974 79 R 3.7085 7.7370 117.3025 59.7792 30.0331 178.6166 80 D 4.4569 8.0761 117.2865 56.4799 40.7117 176.8968 81 H 4.8022 7.4643 113.6505 54.5994 29.7402 173.2150 82 D 4.3942 7.5868 116.3608 55.2241 38.7312 174.2833 83 L 4.3014 8.0032 117.8825 55.0631 42.3287 177.7592 84 T 4.5116 8.5303 110.2951 61.4388 69.8355 174.2614 85 V 4.4960 7.6572 115.0407 59.6436 34.5823 175.2823 86 D 4.9069 8.2534 121.9085 52.3081 41.8815 177.0502 87 F 3.2258 8.6738 121.1296 61.6296 39.2233 176.4697 88 D 4.1244 8.0246 116.2832 56.9106 40.9500 177.9553 89 A 4.1623 8.7580 121.5905 54.1308 18.5782 178.9107 90 F 4.2125 8.0881 119.9587 61.4962 39.3241 175.7714 91 P 3.9406 0.0000 0.0000 65.6841 31.0327 178.4358 92 K 3.9226 7.8262 117.7999 59.0735 32.0313 179.3958 93 V 3.6580 7.9409 118.8239 65.9831 31.5384 178.1838 94 I 3.7979 7.5618 112.9523 63.9836 37.1096 178.3325 95 I 3.5244 7.4779 120.6957 64.2507 37.0738 178.0838 96 Q 4.1878 8.1859 117.3907 57.7568 28.7751 176.4656 97 H 4.9364 8.6910 114.3261 55.0364 31.0162 174.2512 98 L 4.6255 8.0355 117.0996 55.1001 43.8760 177.0345 99 L 4.5452 8.2255 116.0234 54.3945 42.2532 176.4993 100 C 4.4732 7.7326 113.7485 57.5843 30.5708 173.0071 101 K 4.3574 8.3531 120.7883 55.4877 32.5423 176.9392 102 N 4.6382 8.5486 121.3704 52.8856 39.4133 174.5191 103 I 4.0916 8.0220 121.6662 60.3553 38.1756 175.8611 104 V 3.9741 8.2746 125.5256 62.1322 31.8185 174.6171 105 K 4.2433 8.5900 126.1151 57.8451 34.4547 177.2557 *128 G 3.9076 7.9749 104.3044 44.9190 0.0000 172.8184 129 K 4.2927 7.6300 118.9534 54.8934 32.8554 174.4733 130 P 4.2124 0.0000 0.0000 62.1596 32.0028 176.4747 131 T 4.4995 8.2390 117.7653 63.7155 69.4260 173.8633 132 E 4.8119 9.2406 123.3553 54.6403 34.0772 174.6465 133 I 4.8406 8.2978 122.8264 59.5677 40.5083 174.0632 134 N 5.4631 9.0867 124.1400 51.4240 41.9955 173.5164 135 I 5.0220 9.0975 123.8524 59.6187 40.5493 174.4157 136 I 4.9930 8.6392 128.2923 59.5452 39.3070 175.0567 137 L 4.7673 9.0049 128.2410 53.6416 42.9802 176.6813 138 D 4.6180 9.1844 122.4145 54.3654 41.9907 177.2642 139 A 4.0038 8.7736 125.9327 55.0302 17.9681 178.5009 140 E 4.3592 8.2278 112.8308 55.7376 30.0787 176.4085 141 K 4.0306 7.6324 116.8907 57.7884 30.1626 176.3987 142 N 4.5759 7.6700 114.5676 54.8746 40.1028 175.6297 143 F 5.7086 8.0590 116.6030 55.9869 44.0782 173.7199 144 C 5.1561 8.9701 115.0723 56.7038 33.4810 172.6721 145 S 4.9775 9.0114 116.8615 57.3399 63.6517 172.4282 146 F 4.9617 9.5028 130.9642 57.0808 40.5437 174.0591 147 E 4.7668 8.8628 126.3814 54.1938 32.7621 174.7909 148 L 4.7542 7.5289 125.4499 53.1140 44.7515 175.0487 149 F 5.1014 9.1665 123.8311 55.7244 43.6238 174.2339 150 S 4.7521 9.2888 116.6379 55.9265 64.5265 172.8667 151 K 4.6234 8.9875 128.8329 56.3226 33.5672 175.8624 152 T 4.5673 8.5919 116.1220 58.9394 71.2467 173.4776 153 P 4.4464 0.0000 0.0000 64.5906 31.2885 177.3847 154 I 4.5462 7.6743 109.1533 60.0411 38.5207 174.7452 155 S 4.6327 7.5649 113.7501 57.3022 65.9353 175.5916 156 K 3.8603 8.7131 120.3740 57.6146 32.3541 177.8015 157 G 4.1008 8.1918 105.5744 46.0095 0.0000 173.4624 158 K 3.3670 8.2171 119.8472 56.4934 32.8896 175.5323 159 I 4.2671 8.3056 128.0788 62.9491 37.9566 175.7419 160 F 4.6411 6.8253 114.5947 55.6365 41.2944 172.4168 161 S 5.2545 8.2817 113.1077 56.6601 66.0649 173.1870 162 I 4.5574 8.9440 123.5570 59.2439 40.0273 174.6051 163 K 4.6527 8.8323 128.8452 56.3512 32.5684 175.8671 164 L 5.0745 9.3673 128.6475 53.6371 44.2651 175.4352 165 H 5.6804 8.8840 117.0905 53.3909 31.7792 173.4055 166 A 3.7611 8.4822 122.6603 52.2626 18.8162 177.8920 167 V 3.8031 8.3296 121.8311 62.9907 31.2124 175.7545 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 3 S 8.33 4.49 0.00 3.89 4.06 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 0.00 0.00 0.00 0.00 4 K 8.11 4.16 0.00 1.87 1.75 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.53 7.81 5 I 9.33 4.54 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.76 0.88 0.00 0.00 6 A 8.71 4.26 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 7 L 8.75 4.46 0.00 1.58 1.70 0.79 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.82 4.61 0.00 3.06 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 9 D 7.64 4.78 0.00 2.60 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 10 Q 8.94 4.46 0.00 1.04 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.66 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 11 T 8.43 4.98 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 1.30 0.00 0.00 12 L 9.20 5.02 0.00 1.66 1.63 1.17 0.87 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 13 I 8.38 4.71 1.90 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 1.30 0.53 0.93 0.00 0.00 14 A 9.19 4.97 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 15 S 8.97 5.00 0.00 3.96 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 16 L 9.15 5.16 0.00 1.74 1.59 1.15 0.56 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 17 L 9.22 5.58 0.00 1.60 1.59 0.73 0.58 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 18 Q 9.00 5.06 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 19 P 0.00 4.24 0.00 1.88 1.84 0.00 3.62 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 1.94 1.46 0.00 20 L 8.61 4.07 0.00 1.65 1.73 0.95 0.77 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 21 S 7.83 4.54 0.00 3.96 3.94 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 0.00 0.00 0.00 22 L 8.57 4.04 0.00 1.66 1.78 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.90 4.68 0.00 2.72 2.84 0.00 0.00 6.78 7.46 0.00 0.00 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 Q 7.64 4.47 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 25 P 0.00 4.16 0.00 2.01 2.07 0.00 3.66 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 2.01 2.07 0.00 26 D 7.91 4.61 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.93 5.16 0.00 2.87 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 28 K 9.14 4.75 0.00 1.47 1.79 0.00 1.39 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.35 7.81 29 A 7.96 5.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.67 4.94 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.80 4.72 0.00 1.68 1.76 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.39 7.81 32 T 9.02 4.71 4.23 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 1.18 0.00 0.00 33 K 8.55 4.87 0.00 1.69 1.74 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.44 7.81 34 V 8.94 4.64 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 1.31 0.00 0.00 0.98 0.00 0.00 35 K 9.30 4.83 0.00 1.93 1.77 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.43 7.81 36 L 9.22 5.31 0.00 2.01 1.82 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 K 9.39 5.33 0.00 1.70 1.67 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.42 7.81 38 I 8.97 4.79 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.76 0.21 0.00 0.00 39 S 8.83 5.16 0.00 3.92 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 40 E 8.93 5.31 0.00 1.97 1.97 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 2.12 2.18 0.00 41 Q 9.03 4.95 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 42 R 8.51 4.73 0.00 1.85 1.88 0.00 3.28 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 43 N 9.27 4.37 0.00 2.90 2.70 0.00 0.00 6.80 7.65 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 44 E 8.99 4.00 0.00 2.01 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 2.32 2.31 0.00 45 T 8.14 4.13 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 46 S 8.66 4.38 0.00 3.99 4.03 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 0.00 0.00 0.00 0.00 47 G 8.39 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 48 E 7.82 4.32 0.00 2.00 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 2.34 2.27 0.00 49 K 8.65 4.62 0.00 1.84 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.59 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.49 7.81 50 E 9.82 5.16 0.00 2.08 1.86 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 2.29 2.28 0.00 51 L 9.49 4.99 0.00 1.92 1.84 0.79 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.15 5.08 0.00 1.83 1.61 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.57 7.81 53 F 9.55 5.21 0.00 2.96 2.81 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 54 E 9.41 5.32 0.00 1.89 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 55 I 9.20 5.44 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 1.07 0.00 0.00 56 S 9.30 6.01 0.00 4.05 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 57 R 8.50 5.04 0.00 1.89 1.94 0.00 2.56 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.42 0.00 58 S 8.96 4.43 0.00 4.10 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 59 D 7.98 4.31 0.00 2.56 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 60 D 7.94 4.31 0.00 2.67 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 61 F 8.43 4.79 0.00 3.07 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 62 E 8.34 4.27 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 2.37 2.32 0.00 63 F 8.54 4.57 0.00 3.44 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 64 L 7.04 4.74 0.00 1.36 1.35 0.95 1.01 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 65 F 9.14 5.35 0.00 2.80 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 66 S 8.99 5.24 0.00 3.97 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 67 E 9.39 5.02 0.00 2.27 1.86 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 2.28 2.42 0.00 68 T 8.71 5.19 4.33 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 1.29 0.00 0.00 69 L 9.64 4.90 0.00 1.93 1.74 1.14 0.69 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 70 N 8.43 4.87 0.00 2.76 2.96 0.00 0.00 5.88 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 71 N 8.25 3.14 0.00 2.57 2.67 0.00 0.00 6.92 7.65 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 72 E 7.87 3.86 0.00 2.15 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 2.35 2.40 0.00 73 K 8.68 3.85 0.00 2.04 1.84 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.43 7.81 74 Y 8.05 3.87 0.00 2.88 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 75 Q 8.05 3.91 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 76 I 7.36 3.57 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.82 0.00 0.00 77 L 7.43 3.76 0.00 1.54 1.27 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.70 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.74 3.71 0.00 1.94 1.99 0.00 3.05 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 80 D 8.08 4.46 0.00 2.46 2.44 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 81 H 7.46 4.80 0.00 3.18 3.46 0.00 6.00 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.59 4.39 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.00 4.30 0.00 1.53 1.67 0.60 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.53 4.51 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 1.29 0.00 0.00 85 V 7.66 4.50 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 0.87 0.00 0.00 1.20 0.00 0.00 86 D 8.25 4.91 0.00 3.03 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 87 F 8.67 3.23 0.00 2.78 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 88 D 8.02 4.12 0.00 2.64 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 89 A 8.76 4.16 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 90 F 8.09 4.21 0.00 2.91 2.94 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 0.00 0.00 0.00 91 P 0.00 3.94 0.00 2.13 2.11 0.00 3.69 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 1.91 1.82 0.00 92 K 7.83 3.92 0.00 1.89 1.87 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.41 7.81 93 V 7.94 3.66 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 1.06 0.00 0.00 1.02 0.00 0.00 94 I 7.56 3.80 1.83 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.85 0.00 0.00 95 I 7.48 3.52 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.36 1.04 0.00 0.00 96 Q 8.19 4.19 0.00 2.11 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 97 H 8.69 4.94 0.00 3.22 3.30 0.00 5.59 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 98 L 8.04 4.63 0.00 1.77 1.67 1.00 0.97 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 99 L 8.23 4.55 0.00 1.36 1.58 0.18 0.95 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 0.00 100 C 7.73 4.47 0.00 3.10 3.11 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 0.00 101 K 8.35 4.36 0.00 1.79 1.81 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 102 N 8.55 4.64 0.00 2.71 2.76 0.00 0.00 7.13 7.45 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 0.00 103 I 8.02 4.09 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 1.30 0.38 0.92 0.00 0.00 104 V 8.27 3.97 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 0.77 0.00 0.00 0.94 0.00 0.00 105 K 8.59 4.24 0.00 1.69 1.73 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.40 7.81 *128 G 7.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.63 4.29 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.52 7.81 130 P 0.00 4.21 0.00 2.04 2.02 0.00 3.68 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 2.04 2.17 0.00 131 T 8.24 4.50 4.29 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 1.22 0.00 0.00 132 E 9.24 4.81 0.00 1.84 1.69 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 2.16 2.23 0.00 133 I 8.30 4.84 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 0.67 0.00 0.00 134 N 9.09 5.46 0.00 2.90 2.70 0.00 0.00 6.42 8.42 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 0.00 135 I 9.10 5.02 2.02 0.00 0.00 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 1.46 0.79 1.12 0.00 0.00 136 I 8.64 4.99 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.80 0.97 0.00 0.00 137 L 9.00 4.77 0.00 1.63 1.70 1.22 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 D 9.18 4.62 0.00 3.19 2.77 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 0.00 139 A 8.77 4.00 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 0.00 140 E 8.23 4.36 0.00 2.23 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 2.37 2.35 0.00 141 K 7.63 4.03 0.00 2.04 2.14 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.57 1.51 7.81 142 N 7.67 4.58 0.00 2.73 2.31 0.00 0.00 6.81 8.01 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 0.00 143 F 8.06 5.71 0.00 3.18 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 0.00 144 C 8.97 5.16 0.00 2.77 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 0.00 0.00 0.00 145 S 9.01 4.98 0.00 3.94 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 0.00 146 F 9.50 4.96 0.00 3.19 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 0.00 147 E 8.86 4.77 0.00 1.85 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 2.10 2.15 0.00 148 L 7.53 4.75 0.00 0.80 0.54 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 149 F 9.17 5.10 0.00 3.00 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 0.00 150 S 9.29 4.75 0.00 3.80 3.72 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 0.00 151 K 8.99 4.62 0.00 1.88 1.67 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.27 7.81 152 T 8.59 4.57 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 0.00 153 P 0.00 4.45 0.00 2.06 2.15 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 154 I 7.67 4.55 1.87 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 1.35 0.67 0.91 0.00 0.00 155 S 7.56 4.63 0.00 4.06 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 0.00 156 K 8.71 3.86 0.00 1.97 2.00 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.41 7.81 157 G 8.19 4.10 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 0.00 0.00 0.00 158 K 8.22 3.37 0.00 1.46 1.57 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.07 0.49 7.81 159 I 8.31 4.27 1.70 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 1.25 0.69 1.09 0.00 0.00 160 F 6.83 4.64 0.00 2.69 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 0.00 161 S 8.28 5.25 0.00 3.83 3.72 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 0.00 162 I 8.94 4.56 1.93 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.88 0.85 0.00 0.00 163 K 8.83 4.65 0.00 1.76 1.75 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.48 1.45 7.81 164 L 9.37 5.07 0.00 1.69 1.77 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 165 H 8.88 5.68 0.00 3.16 3.76 0.00 5.27 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.48 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 V 8.33 3.80 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 0.69 0.00 0.00 0.86 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.