NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4909 8.0333 117.3342 63.4292 70.4310 172.4111 3 K 5.1295 8.5732 124.8041 54.2263 36.6095 173.5539 4 A 5.3958 9.2717 124.9850 50.5865 23.8106 174.7704 5 V 5.0334 8.9084 117.5395 60.8422 35.5443 173.4100 6 C 4.9473 9.0400 121.8254 58.0423 35.3887 172.6872 7 V 4.5327 8.4658 126.2252 61.5287 32.8115 174.2763 8 L 4.7861 8.9657 129.8881 54.0465 42.9090 176.3990 9 K 4.8895 9.2096 122.6267 55.3113 37.0845 176.3292 10 G 3.9816 8.4554 108.5727 45.4947 0.0000 172.6422 11 D 4.7667 8.7530 120.7016 52.9991 40.1283 176.4316 12 G 4.4257 7.5279 109.8407 44.2841 0.0000 171.3054 13 P 4.3968 0.0000 0.0000 64.0346 32.0874 176.4564 14 V 4.1604 7.5921 120.5928 63.0400 32.0200 174.9727 15 Q 4.7936 8.4216 124.2006 55.6045 32.4523 173.5048 16 G 4.2014 8.1920 106.9355 46.3134 0.0000 171.8065 17 I 5.1791 7.9247 119.3970 59.4329 41.0894 175.0778 18 I 4.6438 8.6464 127.1650 59.4732 40.2321 174.3671 19 N 5.0082 8.5627 124.7100 51.3641 41.2645 173.9039 20 F 5.3791 8.9264 120.0270 55.8013 43.1104 173.6852 21 E 5.2488 9.7379 123.4809 54.7245 33.2988 174.0217 22 Q 4.6091 9.3068 127.6576 54.3656 30.4869 174.6425 23 K 4.2058 8.9599 126.9593 58.3083 32.8047 177.8124 24 E 4.7883 7.8648 117.5831 53.9784 32.4369 177.0556 25 S 4.1201 8.8494 117.5427 60.8417 63.1680 174.4631 26 N 4.6688 8.1957 116.7744 53.0511 38.9460 173.8271 27 G 4.2063 7.6236 106.6559 43.3629 0.0000 171.4184 28 P 4.6684 0.0000 0.0000 62.6618 32.5493 175.9707 29 V 4.4259 8.9836 122.1280 61.8158 33.1845 175.0467 30 K 4.8004 9.2654 128.6162 56.1821 33.5667 176.0531 31 V 4.9137 9.6113 126.0548 60.8284 34.1381 174.2207 32 W 6.1572 8.0011 124.0244 54.9850 31.8091 175.5669 33 G 4.0056 8.0287 106.1999 46.0313 0.0000 170.9749 34 S 5.1136 7.6598 113.4836 57.0003 67.0746 173.2617 35 I 4.8909 8.5072 121.4921 59.6487 40.8078 174.9646 36 K 4.7151 9.3234 125.9692 55.3417 35.4689 177.2251 37 G 3.8168 8.8059 108.1892 45.8775 0.0000 173.7348 38 L 4.3898 7.6270 119.9423 53.3516 42.8210 176.5490 39 T 4.2424 8.1231 110.8799 60.9445 69.6108 174.1613 40 E 3.9827 8.6177 124.4086 57.5849 30.3765 175.1455 41 G 3.7769 8.5300 110.7449 43.9027 0.0000 172.1855 42 L 4.7851 8.2448 119.1148 54.8392 42.7398 176.5416 43 H 5.0146 9.2959 119.9739 53.5243 32.8511 173.2160 44 G 4.0471 9.1415 110.8610 47.2404 0.0000 172.4402 45 F 5.5255 9.0719 125.6551 57.1296 42.1752 172.7332 46 H 5.4170 8.9856 122.8977 53.8989 33.5547 172.8885 47 V 4.3784 8.5497 121.8262 62.7564 32.5755 175.0893 48 H 5.1676 9.4496 125.4018 54.2595 30.8840 175.7721 49 E 3.7206 9.0480 122.1629 58.7696 30.0196 177.0965 50 F 4.9853 8.4640 118.3788 54.8645 41.8003 176.7640 51 G 4.7006 8.4235 111.9654 44.4975 0.0000 174.1361 52 D 4.6969 7.9959 118.8610 52.7149 42.2869 174.3780 53 N 5.3503 8.7007 124.1314 52.7183 39.2213 176.4187 54 T 3.9588 8.3863 108.9507 63.3770 68.8257 174.4108 55 A 4.7189 8.0213 126.3198 51.5573 20.4504 176.7587 56 G 4.0056 7.8242 110.3073 48.3137 0.0000 177.3031 57 C 4.2613 8.5215 117.9348 62.3103 28.7560 175.8680 58 T 3.9527 7.6652 116.1938 66.3414 67.7298 175.7545 59 S 4.5654 7.8781 112.4460 59.1462 63.8068 175.3087 60 A 4.7068 7.4140 126.4547 54.3638 18.2952 178.6945 61 G 3.7700 7.9744 104.5436 44.2419 0.0000 171.1821 62 P 4.6685 0.0000 0.0000 61.7774 33.6254 174.8842 63 H 3.9756 8.6847 118.7428 56.5883 30.0451 174.0823 64 F 4.3110 9.0444 128.8702 58.5705 40.1946 174.2663 65 N 4.5460 8.0910 124.5821 51.8172 39.4258 171.7208 66 P 4.2631 0.0000 0.0000 63.8644 31.5765 177.8431 67 L 3.9519 6.7597 119.7661 56.7489 42.5237 175.9415 *80 H 4.3351 7.7042 114.5082 55.5113 30.4354 174.9604 81 V 3.4053 8.1559 122.9570 66.0296 31.6473 177.3605 82 G 3.8116 8.3310 106.8650 46.5981 0.0000 173.0776 83 D 5.1023 7.5974 120.2476 54.7018 38.8267 175.7280 84 L 4.7074 8.2564 120.7466 53.9530 43.6911 178.1886 85 R 4.2146 7.8071 121.4976 57.3254 27.5926 178.1443 86 N 5.7107 8.8476 121.4740 52.5683 42.0462 172.6258 87 V 4.2985 8.7407 115.2470 60.1322 34.8330 174.9986 88 T 4.9325 8.1872 119.0781 61.8507 70.8188 173.2647 89 A 4.5391 8.9341 129.8689 51.2118 20.3461 177.2547 90 D 4.9339 9.0659 123.4242 52.9989 42.0636 177.3508 91 K 4.0749 8.5561 120.9220 59.6400 31.9994 176.8686 92 D 4.4973 8.0655 115.5985 53.3477 39.7792 176.9710 93 G 4.0601 8.7165 109.1290 44.8153 0.0000 172.7380 94 V 4.7801 7.8873 119.9835 60.9678 33.8725 174.3266 95 A 5.2268 8.7699 129.8567 49.5566 20.9227 175.3743 96 D 4.7784 8.6852 123.3929 54.0966 42.0232 176.0902 97 V 4.1923 8.6838 124.3888 61.1806 33.7188 174.7126 98 S 4.7397 8.5812 122.7973 57.3654 64.1645 172.5907 99 I 4.7897 9.5768 128.1297 59.3262 41.2541 174.4587 100 E 5.2067 8.9378 124.8417 54.6755 31.9444 174.7915 101 D 4.9751 9.4050 124.9574 52.1118 44.3587 176.0332 102 S 4.8763 8.8214 119.0638 58.1955 63.5959 174.5629 103 V 4.0436 7.9945 121.6505 64.8757 32.3334 176.4617 104 I 4.1277 7.7575 111.4709 60.9136 38.4239 174.7392 105 S 4.6657 8.4768 113.8856 57.3370 65.3425 174.3823 106 L 4.4966 8.7931 123.5858 54.8811 41.9148 176.2941 107 S 4.6082 7.3562 113.6625 57.7283 67.7014 175.0970 108 G 3.8317 8.4447 108.1912 46.3662 0.0000 174.0392 109 D 4.5206 8.6728 118.5586 56.8910 41.5911 176.5444 110 H 5.0229 7.9716 115.3927 55.6658 28.9625 174.0275 111 C 4.6544 8.1902 120.9010 59.7306 31.8231 173.2158 112 I 3.9121 8.2604 119.4702 60.4071 38.0302 175.5905 113 I 3.7152 7.2334 123.2052 62.8156 37.5953 176.3280 114 G 3.8150 9.4257 113.6267 45.2967 0.0000 172.9207 115 R 4.9706 7.3878 119.1088 54.8231 33.6314 174.5639 116 T 5.0013 7.9283 115.8229 62.0590 71.3838 173.6103 117 L 4.8324 8.5699 128.4656 53.9794 44.0556 175.3200 118 V 4.9517 8.8498 126.0159 60.9917 34.9627 174.1775 119 V 5.0900 8.6098 127.0363 60.5348 33.6085 174.7180 120 H 5.2660 9.0896 121.6344 54.1818 30.5676 174.8188 121 E 4.1756 9.3473 122.4597 59.0680 30.0458 176.8923 122 K 4.7039 8.4260 117.6446 53.9381 35.6884 175.4524 123 A 4.5177 8.2525 122.5544 52.0048 19.7086 176.3498 124 D 4.7702 9.6495 122.6990 53.6774 41.5701 175.9541 125 D 4.5887 8.6427 124.3277 53.2090 39.3527 176.1367 126 L 3.7048 8.3581 118.0165 54.3054 40.0248 175.1815 127 G 5.0217 7.5873 118.8923 46.6083 0.0000 175.6371 *138 G 3.6242 7.0256 107.7222 46.2490 0.0000 172.0991 139 N 4.3683 8.2261 119.0704 54.6831 36.5131 175.2696 140 A 4.4512 7.3996 119.7697 51.2022 20.0138 179.7291 141 G 3.8988 7.9280 103.4136 45.3266 0.0000 173.6631 142 S 4.3670 8.6951 117.0212 58.8323 64.4155 174.0909 143 R 4.4747 8.3903 121.6825 55.4814 30.1125 176.3227 144 L 4.3733 8.9758 125.3168 57.1046 43.2286 176.9766 145 A 4.9989 7.7130 117.9862 51.2368 22.7994 174.8181 146 C 5.3553 8.5696 114.1894 58.5526 33.8440 172.6741 147 G 4.6420 8.1274 104.1163 46.1404 0.0000 172.4825 148 V 4.4841 8.2517 120.9043 62.2270 32.8717 175.5664 149 I 4.1553 8.9781 129.3808 60.9372 37.9157 175.2605 150 G 4.4076 9.0222 114.9803 43.9268 0.0000 172.1149 151 I 4.4567 8.3096 121.8437 61.1316 37.6626 175.4207 152 A 4.8149 8.6048 128.0575 49.7873 22.2472 176.1588 153 Q 4.0809 8.4971 118.6450 56.4294 29.2274 175.7606 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 T 8.03 4.49 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 1.23 0.00 0.00 3 K 8.57 5.13 0.00 1.94 1.71 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.60 7.81 4 A 9.27 5.40 1.10 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 5 V 8.91 5.03 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 0.78 0.00 0.00 0.94 0.00 0.00 6 C 9.04 4.95 0.00 3.19 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 7 V 8.47 4.53 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.97 4.79 0.00 1.71 1.60 1.05 0.52 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 9 K 9.21 4.89 0.00 1.63 1.62 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 G 8.46 3.98 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 0.00 0.00 0.00 11 D 8.75 4.77 0.00 2.79 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 12 G 7.53 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 0.00 0.00 0.00 0.00 13 P 0.00 4.40 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 14 V 7.59 4.16 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 0.79 0.00 0.00 0.97 0.00 0.00 15 Q 8.42 4.79 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 16 G 8.19 4.20 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 0.00 17 I 7.92 5.18 1.81 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 1.20 1.02 0.82 0.00 0.00 18 I 8.65 4.64 1.82 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 1.26 1.49 0.43 0.00 0.00 19 N 8.56 5.01 0.00 1.44 1.42 0.00 0.00 6.41 5.33 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 20 F 8.93 5.38 0.00 2.90 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 21 E 9.74 5.25 0.00 2.49 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 0.00 2.31 2.38 0.00 22 Q 9.31 4.61 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 23 K 8.96 4.21 0.00 1.81 1.88 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.47 1.49 7.81 24 E 7.86 4.79 0.00 1.96 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 2.29 2.20 0.00 25 S 8.85 4.12 0.00 3.99 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 26 N 8.20 4.67 0.00 2.71 2.85 0.00 0.00 6.79 7.98 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 27 G 7.62 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 0.00 0.00 0.00 28 P 0.00 4.67 0.00 2.14 2.10 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.98 4.43 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 1.30 0.00 0.00 1.05 0.00 0.00 30 K 9.27 4.80 0.00 2.05 1.86 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.34 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.46 1.42 7.81 31 V 9.61 4.91 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 0.84 0.00 0.00 1.12 0.00 0.00 32 W 8.00 6.16 0.00 3.49 3.15 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 0.00 0.00 0.00 0.00 33 G 8.03 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 0.00 0.00 0.00 34 S 7.66 5.11 0.00 3.82 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 35 I 8.51 4.89 1.78 0.00 0.00 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 1.21 0.59 0.88 0.00 0.00 36 K 9.32 4.72 0.00 1.61 1.67 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.34 7.81 37 G 8.81 3.82 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 0.00 0.00 0.00 38 L 7.63 4.39 0.00 1.80 1.42 0.79 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.12 4.24 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 1.24 0.00 0.00 40 E 8.62 3.98 0.00 1.95 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 2.30 2.29 0.00 41 G 8.53 3.78 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 0.00 0.00 0.00 42 L 8.24 4.79 0.00 1.51 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.30 5.01 0.00 3.00 3.31 0.00 5.64 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 44 G 9.14 4.05 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 0.00 0.00 0.00 45 F 9.07 5.53 0.00 3.02 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 46 H 8.99 5.42 0.00 3.21 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.55 4.38 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 0.91 0.00 0.00 0.90 0.00 0.00 48 H 9.45 5.17 0.00 3.06 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.05 3.72 0.00 1.74 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 1.52 2.23 0.00 50 F 8.46 4.99 0.00 3.13 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 51 G 8.42 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.00 4.70 0.00 2.63 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 53 N 8.70 5.35 0.00 2.73 2.70 0.00 0.00 7.44 7.22 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 54 T 8.39 3.96 4.22 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 0.00 0.00 1.19 0.00 0.00 55 A 8.02 4.72 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 56 G 7.82 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 0.00 0.00 0.00 57 C 8.52 4.26 0.00 2.97 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 58 T 7.67 3.95 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 S 7.88 4.57 0.00 4.12 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 60 A 7.41 4.71 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.97 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 0.00 0.00 0.00 0.00 62 P 0.00 4.67 0.00 2.12 2.24 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 63 H 8.68 3.98 0.00 2.92 3.00 0.00 5.75 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.04 4.31 0.00 2.85 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 65 N 8.09 4.55 0.00 2.60 2.55 0.00 0.00 7.25 7.69 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 66 P 0.00 4.26 0.00 2.15 2.08 0.00 3.09 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 67 L 6.76 3.95 0.00 1.54 1.53 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *80 H 7.70 4.34 0.00 2.97 3.10 0.00 5.82 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.16 3.41 1.46 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 0.78 0.00 0.00 0.59 0.00 0.00 82 G 8.33 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 7.60 5.10 0.00 3.03 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 84 L 8.26 4.71 0.00 2.11 1.91 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.81 4.21 0.00 2.15 1.22 0.00 3.12 0.00 0.00 3.38 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 86 N 8.85 5.71 0.00 2.57 2.68 0.00 0.00 6.67 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 87 V 8.74 4.30 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 -0.17 0.00 0.00 0.83 0.00 0.00 88 T 8.19 4.93 4.22 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 0.00 0.00 1.20 0.00 0.00 89 A 8.93 4.54 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 90 D 9.07 4.93 0.00 2.85 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 91 K 8.56 4.07 0.00 1.71 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 92 D 8.07 4.50 0.00 2.82 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 93 G 8.72 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 0.00 0.00 0.00 94 V 7.89 4.78 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 0.96 0.00 0.00 0.92 0.00 0.00 95 A 8.77 5.23 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 96 D 8.69 4.78 0.00 2.56 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 97 V 8.68 4.19 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 0.75 0.00 0.00 0.59 0.00 0.00 98 S 8.58 4.74 0.00 3.89 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 99 I 9.58 4.79 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 1.03 0.00 0.00 100 E 8.94 5.21 0.00 1.84 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 2.24 2.28 0.00 101 D 9.41 4.98 0.00 2.83 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 0.00 102 S 8.82 4.88 0.00 4.03 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 0.00 103 V 7.99 4.04 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 0.76 0.00 0.00 0.92 0.00 0.00 104 I 7.76 4.13 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.03 0.00 0.00 105 S 8.48 4.67 0.00 3.91 3.84 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 0.00 106 L 8.79 4.50 0.00 1.78 1.66 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.36 4.61 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 0.00 108 G 8.44 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.67 4.52 0.00 2.58 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 0.00 110 H 7.97 5.02 0.00 3.25 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.19 4.65 0.00 3.11 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 0.00 112 I 8.26 3.91 1.61 0.00 0.00 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 1.32 0.13 0.97 0.00 0.00 113 I 7.23 3.72 1.77 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 1.20 0.36 0.84 0.00 0.00 114 G 9.43 3.82 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 0.00 0.00 0.00 115 R 7.39 4.97 0.00 1.57 1.80 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.30 0.00 116 T 7.93 5.00 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 1.24 0.00 0.00 117 L 8.57 4.83 0.00 1.81 1.54 0.51 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.85 4.95 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 0.78 0.00 0.00 119 V 8.61 5.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.04 0.00 0.00 120 H 9.09 5.27 0.00 3.25 3.53 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.35 4.18 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 122 K 8.43 4.70 0.00 1.77 1.69 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.37 7.81 123 A 8.25 4.52 1.22 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 0.00 0.00 0.00 0.00 0.00 124 D 9.65 4.77 0.00 2.72 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 0.00 125 D 8.64 4.59 0.00 2.85 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 0.00 126 L 8.36 3.70 0.00 1.84 1.81 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.59 5.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 G 7.03 3.62 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 0.00 0.00 0.00 139 N 8.23 4.37 0.00 2.88 2.92 0.00 0.00 7.16 7.35 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 0.00 140 A 7.40 4.45 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.93 3.90 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 0.00 0.00 0.00 142 S 8.70 4.37 0.00 3.83 3.82 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 0.00 143 R 8.39 4.47 0.00 1.64 1.78 0.00 3.16 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 144 L 8.98 4.37 0.00 1.68 1.69 0.93 0.55 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 0.00 145 A 7.71 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 C 8.57 5.36 0.00 3.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.13 4.64 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 0.00 0.00 0.00 148 V 8.25 4.48 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 0.80 0.00 0.00 0.95 0.00 0.00 149 I 8.98 4.16 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.36 0.38 0.00 0.00 150 G 9.02 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 0.00 151 I 8.31 4.46 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.60 4.81 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 0.00 153 Q 8.50 4.08 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.