NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1350 8.3645 123.5828 53.2679 20.2936 177.2173 *3 F 3.7238 8.7095 119.1734 57.3742 35.3810 173.0802 4 D 4.5098 8.7668 125.9092 54.7374 43.2333 177.0475 5 T 4.8614 8.1782 120.1662 61.9658 71.0492 173.1561 6 Y 5.4145 9.1997 123.4901 56.3762 42.3906 174.5046 7 I 5.2725 9.1080 120.8303 59.5809 42.1337 173.4303 8 K 4.2046 8.6979 130.2552 54.2025 34.4780 174.5597 9 L 4.8664 7.8641 125.8761 52.4746 45.0199 175.9242 10 D 4.2520 8.1304 120.7671 54.4079 41.0849 177.0048 11 K 3.8423 8.5746 124.9108 57.0956 29.4690 177.9660 12 V 4.4875 7.1324 115.8936 61.2785 32.4586 171.7514 13 D 4.4332 8.2147 120.9803 54.2974 41.9575 176.6367 14 G 4.1918 8.7826 119.0538 46.3979 0.0000 173.3414 15 E 4.8452 8.9252 122.7377 55.4798 31.5215 176.6359 16 S 4.5272 9.1015 114.5350 59.9963 63.3220 174.6786 17 T 4.5599 8.4324 115.3265 63.5901 71.4358 174.9201 18 D 4.4685 8.1070 120.4183 53.1843 39.8452 176.4583 19 D 4.2783 8.7954 124.1332 58.7168 40.8891 179.5131 20 K 4.0041 7.6805 117.9690 56.4389 32.5835 178.5720 21 H 3.9026 7.6965 114.4070 54.9534 29.0843 173.9536 22 K 4.1144 7.8254 118.5660 57.4676 32.9822 178.0994 23 K 3.9579 8.9423 121.1754 56.6769 30.7006 175.5180 24 W 4.5659 8.0351 119.8372 56.8444 30.8607 174.9543 25 I 4.5919 8.4339 122.2944 60.3436 37.9481 175.5053 26 E 4.6787 9.0527 127.9030 56.2201 29.9496 176.7387 27 V 4.2679 8.4871 123.9755 60.1586 34.0333 175.1742 28 L 4.1322 9.0393 123.6423 55.8487 41.3725 176.8532 29 G 4.1987 7.7563 104.9234 44.7048 0.0000 171.7156 30 F 4.8547 8.3065 113.5653 56.9058 40.2220 173.3348 31 A 3.4846 7.0566 126.6321 51.3540 17.8360 175.2771 32 W 5.1864 8.6009 129.8044 57.0499 33.6226 173.5141 33 G 3.6963 6.8605 110.3089 45.2149 0.0000 171.8151 34 A 4.4674 7.4192 121.7778 49.5161 22.5787 175.6817 35 G 4.0596 7.6960 111.8277 45.4582 0.0000 171.8035 36 N 4.8550 7.9510 118.4710 51.1583 40.2574 174.8868 37 E 4.3222 7.8120 115.8344 55.2905 28.4478 176.5598 38 C 4.6037 7.6267 118.1673 59.5643 33.0300 172.5063 39 T 4.5452 7.9315 135.0000 63.9060 66.0087 176.6229 *41 E 4.1155 8.3069 127.5328 52.8993 32.1916 175.0187 42 S 3.8499 8.0242 115.6219 58.5385 60.0248 174.1833 43 G 4.0822 7.7864 115.0935 46.8676 0.0000 174.4798 44 T 4.5967 7.8137 111.5110 58.9884 70.6396 179.1089 45 Q 4.0520 8.7765 126.6178 58.7426 29.3400 176.7950 46 G 3.9350 7.6832 104.2861 44.7888 0.0000 173.4635 47 L 3.9280 8.4637 120.9313 58.6393 42.0451 177.1214 48 N 4.2507 8.0328 113.5966 52.9084 33.4831 175.8767 49 T 4.0462 7.8558 116.5545 62.6609 69.3278 176.2026 50 G 3.6884 7.6145 108.7568 46.7677 0.0000 174.9642 51 K 4.4750 8.7373 124.7228 54.3260 34.0897 174.7274 52 A 4.2790 8.1475 125.2077 50.3379 20.9908 176.2718 *55 S 4.2074 8.0687 113.3182 57.6972 63.9727 173.8004 56 V 4.1936 8.1809 120.6774 63.2983 32.4182 174.5042 57 L 4.9100 8.6116 126.4360 53.9369 43.4989 175.4173 58 R 5.0582 8.8260 125.5740 54.7843 31.8752 175.1478 59 V 4.4881 9.1001 125.3067 61.9631 33.7203 174.7690 60 T 5.1163 8.2198 123.0800 61.7775 71.8411 173.1599 61 K 4.0606 8.1735 122.9633 57.3981 36.4701 177.1216 62 W 4.9648 8.9726 124.3317 57.8107 27.9806 178.3147 *64 D 4.6783 8.9626 129.8348 54.3239 40.0033 176.7192 65 C 4.2877 8.6343 111.7776 59.5979 30.4513 174.3852 66 A 4.3474 8.4640 123.6583 54.0017 19.0018 179.1028 67 S 4.1382 7.5805 111.5353 62.3866 62.7608 176.8520 68 V 3.4340 7.8415 119.6576 66.3962 31.3036 178.4476 69 K 4.0588 7.9925 117.4195 59.3258 31.9900 179.2579 70 L 4.0716 8.3377 119.6611 57.5232 41.2842 179.3096 71 A 3.2255 8.3213 121.6360 55.1459 18.3988 179.9421 72 S 3.9130 8.3383 113.8014 61.4359 62.9954 176.5011 73 A 4.0541 8.5864 123.7290 56.1023 18.1271 178.6740 74 A 3.9987 8.0358 117.2341 56.8021 18.1088 179.6301 75 V 3.7585 7.6975 111.4391 62.7811 32.1044 177.2554 76 Q 4.2431 7.8331 119.6677 55.1292 29.4929 175.2359 77 G 3.9850 7.9026 105.2230 46.6935 0.0000 173.6974 78 Q 3.9415 7.9219 120.2578 55.5989 29.5821 174.6735 79 N 4.9844 8.4788 123.0201 52.5880 39.5987 174.4322 80 F 4.8516 9.5007 122.9443 55.3228 41.6631 175.2414 81 P 4.3679 0.0000 0.0000 65.7518 31.4668 176.7272 82 T 5.0362 7.9130 114.6411 62.3782 73.6706 172.6146 83 L 4.9083 9.0444 128.7917 53.2111 44.9586 174.6151 84 E 5.0066 8.6767 126.2309 54.7076 31.7035 174.7610 85 L 5.0530 8.6579 127.3636 53.8494 44.7050 175.1763 86 E 4.9651 9.2005 126.1146 55.2914 33.3118 173.4602 87 I 4.7074 8.0777 127.9926 59.7344 39.4796 174.5760 88 C 5.3620 8.9494 124.8438 57.5761 31.8978 173.7567 89 T 3.9757 8.7504 116.4082 62.6826 68.9175 176.0808 *90 Q 3.9263 8.9325 123.5945 57.8733 29.1956 174.2650 91 A 4.6886 7.6854 123.6209 51.7144 22.4599 178.2923 92 G 4.1232 9.4198 110.8483 47.1678 0.0000 175.0335 *93 D 4.7888 9.2335 121.2860 53.3831 41.8969 178.2075 94 K 4.6723 8.2827 117.7665 54.9191 29.8453 177.8389 95 F 4.8022 7.5663 112.8219 56.9187 39.8757 174.5754 96 A 5.2420 8.8393 121.6150 50.3864 19.3314 177.5399 97 F 4.5897 8.1710 116.7640 58.0546 39.8767 175.0415 98 C 4.8735 7.1625 120.9469 58.8248 34.9454 172.5245 99 I 4.6571 8.5774 128.2472 59.9361 38.9338 174.7915 100 Y 4.7930 8.8567 125.5803 55.8568 40.4688 175.6392 101 K 4.6881 7.8143 120.8026 55.2750 36.3115 175.1196 102 F 5.3506 9.6664 124.5165 56.0268 42.2505 175.0394 103 T 4.9104 8.6492 117.6351 62.5107 72.1524 173.2759 104 H 4.3669 8.7794 122.3780 56.4745 25.9824 174.2729 105 V 4.8111 8.3535 120.5097 61.8865 34.1645 175.3928 106 A 5.4337 9.5182 126.8398 50.2811 23.2238 175.2934 107 V 4.2460 8.6414 120.0086 62.1933 31.4744 175.9264 108 S 4.6761 9.1364 124.4615 60.1752 64.2414 174.5894 109 S 4.7243 7.5601 113.1817 57.3190 65.9326 172.9166 110 Y 4.9524 8.5699 122.4207 56.0141 41.3914 174.2917 111 Q 4.6766 8.0353 124.1734 54.1879 32.8992 173.9477 112 C 4.9935 8.1235 120.6781 58.0068 35.3102 173.0650 113 S 4.6364 8.0480 113.8349 57.6501 66.3076 174.9675 114 G 4.3275 8.6852 108.5075 44.4250 0.0000 171.9823 115 A 4.0890 9.1862 131.8721 56.4391 18.5973 177.9945 *116 T 3.8807 8.5953 109.9402 60.6463 65.6203 175.4609 117 G 4.3543 7.1986 107.4205 43.2922 0.0000 171.8992 118 G 3.8116 8.2945 121.0253 46.0603 0.0000 173.2681 119 S 4.1196 9.2768 111.7102 58.2574 64.3574 174.5672 120 D 4.2574 8.2509 124.2261 54.8608 42.0292 172.4924 *121 R 3.9086 8.2666 129.6822 54.5997 28.7900 175.5516 122 P 4.6947 0.0000 0.0000 61.9412 33.3752 174.8492 123 Q 5.2440 9.2240 121.4828 54.4746 32.3113 173.7183 124 E 4.9418 9.2860 123.9625 54.7501 33.3708 174.8240 125 T 4.8938 7.9960 117.1658 61.8943 71.9047 172.9174 126 I 4.6996 8.7271 127.5361 59.4168 40.5574 174.2083 127 D 5.1515 8.4848 126.5242 52.7380 42.9875 175.3909 128 F 5.2970 9.0081 123.1554 55.8001 40.5898 175.2459 129 A 4.8471 8.8703 126.8614 52.0737 20.1879 175.6283 130 Y 5.2719 7.9860 116.4442 56.8681 40.9307 173.8930 131 K 4.6287 9.2769 115.9336 57.6210 35.4388 176.2891 132 E 5.5488 8.5180 117.1035 55.2100 34.7394 174.7397 133 V 5.1341 8.0064 118.4960 62.7986 35.4300 171.7305 134 T 3.8270 7.3041 116.5227 61.9398 72.3741 173.8555 135 W 3.6009 8.4217 126.6072 54.6743 28.9510 173.2509 136 E 3.6218 8.2326 124.2872 56.4870 29.0591 173.0764 137 Y 5.2943 8.0962 123.3540 55.7780 43.0090 174.2671 138 V 4.6100 7.6036 123.8473 60.2015 34.3153 173.4126 139 P 4.6507 0.0000 0.0000 63.0054 32.6817 174.6039 140 Q 4.6652 8.5260 122.0854 54.7777 32.6288 174.4342 141 D 4.7358 9.7604 129.3232 53.6594 40.2724 175.0040 *142 Q 4.2363 9.0933 126.0554 57.9841 28.0680 175.2564 *143 N 4.7116 8.0832 110.7375 53.0521 37.4224 179.4235 144 G 4.3675 8.7957 116.2292 47.3364 0.0000 175.7225 *145 K 4.1380 7.6295 120.3731 53.6085 32.4691 177.3327 146 A 4.3472 7.8265 119.2076 52.7473 20.1702 175.5590 147 G 4.1589 7.7968 105.0420 44.6669 0.0000 173.0547 148 G 3.9106 8.6750 106.4238 46.1506 0.0000 173.6402 149 K 4.4425 8.4907 123.7620 55.9217 33.1696 176.5284 150 I 4.0833 9.9896 128.7149 61.2519 38.1136 176.5996 151 G 4.0288 7.8700 113.9301 44.4743 0.0000 171.4469 152 P 4.1934 0.0000 0.0000 62.9956 31.0327 175.2173 153 E 4.6046 8.1830 121.8510 53.9150 33.6301 174.8744 154 G 2.6574 7.3724 104.6080 47.0700 0.0000 171.8862 155 W 4.5617 7.1566 128.0603 56.9975 34.4735 174.1398 156 S 4.8691 7.1105 116.1124 56.5942 64.3335 174.5518 157 L 4.6021 8.7955 126.4359 55.6710 41.8414 177.7299 158 I 4.1044 7.6826 119.7901 62.7872 37.6179 176.7805 159 T 4.2632 7.6906 114.7344 62.5137 70.4320 173.7614 160 N 4.1729 8.0024 117.2778 54.5109 36.7063 172.9581 161 K 3.9780 6.4980 117.4659 54.4045 36.3410 176.8441 162 K 4.6071 8.2391 124.1646 54.6482 32.6939 175.7763 163 K 4.2173 8.4533 116.9342 56.5109 31.4449 172.5317 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 A 8.36 4.14 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 *3 F 8.71 3.72 0.00 2.50 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 0.00 0.00 0.00 4 D 8.77 4.51 0.00 2.48 2.30 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 5 T 8.18 4.86 4.39 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 1.21 0.00 0.00 6 Y 9.20 5.41 0.00 2.70 3.03 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 7 I 9.11 5.27 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.44 0.96 0.00 0.00 8 K 8.70 4.20 0.00 0.79 0.74 0.00 0.84 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.85 0.74 7.81 9 L 7.86 4.87 0.00 1.32 1.32 0.73 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.13 4.25 0.00 2.67 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 11 K 8.57 3.84 0.00 1.94 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 12 V 7.13 4.49 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 0.80 0.00 0.00 1.20 0.00 0.00 13 D 8.21 4.43 0.00 2.73 2.65 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 14 G 8.78 4.19 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 0.00 15 E 8.93 4.85 0.00 2.03 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 2.24 2.33 0.00 16 S 9.10 4.53 0.00 4.24 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 17 T 8.43 4.56 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 1.24 0.00 0.00 18 D 8.11 4.47 0.00 2.87 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 19 D 8.80 4.28 0.00 2.63 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 20 K 7.68 4.00 0.00 1.77 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.03 7.81 21 H 7.70 3.90 0.00 2.29 2.04 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.83 4.11 0.00 1.81 1.81 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.64 7.81 23 K 8.94 3.96 0.00 2.06 1.97 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 24 W 8.04 4.57 0.00 3.41 3.35 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 25 I 8.43 4.59 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 1.00 0.00 0.00 26 E 9.05 4.68 0.00 1.96 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 2.54 2.53 0.00 27 V 8.49 4.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.02 0.00 0.00 28 L 9.04 4.13 0.00 1.29 1.48 0.08 0.46 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 29 G 7.76 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 30 F 8.31 4.85 0.00 2.99 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 31 A 7.06 3.48 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.60 5.19 0.00 3.32 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 6.86 3.70 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 34 A 7.42 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.70 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 36 N 7.95 4.86 0.00 3.02 2.74 0.00 0.00 5.99 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.81 4.32 0.00 2.05 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 2.44 2.37 0.00 38 C 7.63 4.60 0.00 3.33 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 39 T 7.93 4.55 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 1.20 0.00 0.00 *41 E 8.31 4.12 0.00 2.01 1.73 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 2.13 1.88 0.00 42 S 8.02 3.85 0.00 3.77 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 43 G 7.79 4.08 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 0.00 44 T 7.81 4.60 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 45 Q 8.78 4.05 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 G 7.68 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 0.00 0.00 0.00 47 L 8.46 3.93 0.00 1.65 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.03 4.25 0.00 2.93 2.84 0.00 0.00 6.60 7.71 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 49 T 7.86 4.05 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 50 G 7.61 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.74 4.48 0.00 1.81 1.67 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.53 7.81 52 A 8.15 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 S 8.07 4.21 0.00 3.96 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 56 V 8.18 4.19 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 0.96 0.00 0.00 0.99 0.00 0.00 57 L 8.61 4.91 0.00 1.70 1.36 1.06 1.05 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 58 R 8.83 5.06 0.00 1.93 1.83 0.00 3.15 0.00 0.00 3.07 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.57 0.00 59 V 9.10 4.49 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 1.11 0.00 0.00 1.07 0.00 0.00 60 T 8.22 5.12 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 1.02 0.00 0.00 61 K 8.17 4.06 0.00 1.84 1.87 0.00 1.23 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.38 7.81 62 W 8.97 4.96 0.00 3.37 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 *64 D 8.96 4.68 0.00 3.17 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 65 C 8.63 4.29 0.00 3.17 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 66 A 8.46 4.35 1.40 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 67 S 7.58 4.14 0.00 4.07 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 68 V 7.84 3.43 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 1.12 0.00 0.00 0.93 0.00 0.00 69 K 7.99 4.06 0.00 1.95 1.92 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.51 7.81 70 L 8.34 4.07 0.00 1.89 1.85 1.09 0.92 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 71 A 8.32 3.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.34 3.91 0.00 3.85 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 73 A 8.59 4.05 1.61 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 0.00 0.00 74 A 8.04 4.00 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 75 V 7.70 3.76 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 0.66 0.00 0.00 0.96 0.00 0.00 76 Q 7.83 4.24 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 77 G 7.90 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 78 Q 7.92 3.94 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.49 6.70 0.00 0.00 0.00 0.00 0.00 1.57 2.05 0.00 79 N 8.48 4.98 0.00 2.57 2.76 0.00 0.00 6.97 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 80 F 9.50 4.85 0.00 2.96 2.96 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 81 P 0.00 4.37 0.00 2.17 2.08 0.00 3.97 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 2.18 2.12 0.00 82 T 7.91 5.04 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 1.18 0.00 0.00 83 L 9.04 4.91 0.00 1.43 1.36 0.27 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.68 5.01 0.00 1.86 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 2.25 2.18 0.00 85 L 8.66 5.05 0.00 1.84 1.55 0.78 0.38 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 86 E 9.20 4.97 0.00 2.23 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 87 I 8.08 4.71 1.07 0.00 0.00 0.52 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 0.24 0.96 0.00 0.00 88 C 8.95 5.36 0.00 2.91 2.96 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 89 T 8.75 3.98 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 0.70 0.00 0.00 *90 Q 8.93 3.93 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 91 A 7.69 4.69 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 92 G 9.42 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 D 9.23 4.79 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.67 0.00 1.91 1.73 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.19 7.81 95 F 7.57 4.80 0.00 3.20 3.20 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 96 A 8.84 5.24 1.24 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 0.00 0.00 0.00 97 F 8.17 4.59 0.00 3.07 3.04 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 98 C 7.16 4.87 0.00 2.81 2.36 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 0.00 0.00 0.00 0.00 99 I 8.58 4.66 1.94 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 1.19 0.61 0.89 0.00 0.00 100 Y 8.86 4.79 0.00 2.76 2.47 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 0.00 0.00 0.00 101 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7.30 3.83 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 135 W 8.42 3.60 0.00 2.94 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.23 3.62 0.00 2.28 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 137 Y 8.10 5.29 0.00 2.88 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 0.00 138 V 7.60 4.61 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 0.84 0.00 0.00 0.91 0.00 0.00 139 P 0.00 4.65 0.00 2.22 2.37 0.00 3.81 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 2.14 2.05 0.00 140 Q 8.53 4.67 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.13 0.00 0.00 0.00 0.00 0.00 2.53 2.79 0.00 141 D 9.76 4.74 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.09 4.24 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 7.54 0.00 0.00 0.00 0.00 0.00 2.29 1.96 0.00 *143 N 8.08 4.71 0.00 2.74 2.72 0.00 0.00 6.89 7.51 0.00 0.00 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 G 8.80 4.37 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 0.00 *145 K 7.63 4.14 0.00 1.70 1.74 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.01 7.81 146 A 7.83 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.80 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 0.00 148 G 8.68 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 0.00 149 K 8.49 4.44 0.00 1.76 1.70 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.58 7.81 150 I 9.99 4.08 2.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.25 1.01 0.00 0.00 151 G 7.87 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 0.00 0.00 0.00 152 P 0.00 4.19 0.00 2.08 2.22 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 153 E 8.18 4.60 0.00 2.04 1.85 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 2.30 2.25 0.00 154 G 7.37 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 W 7.16 4.56 0.00 3.59 3.08 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 0.00 156 S 7.11 4.87 0.00 3.86 3.38 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 0.00 157 L 8.80 4.60 0.00 1.86 1.78 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 158 I 7.68 4.10 1.85 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 1.31 0.51 0.90 0.00 0.00 159 T 7.69 4.26 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 1.09 0.00 0.00 160 N 8.00 4.17 0.00 2.88 3.11 0.00 0.00 6.78 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 6.50 3.98 0.00 1.39 1.41 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.18 7.81 162 K 8.24 4.61 0.00 1.78 1.62 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 163 K 8.45 4.22 0.00 1.84 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.