NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -20 L 4.3684 8.1693 120.7671 53.6342 42.6902 176.3090 -19 V 3.7061 8.0531 119.1438 59.2942 32.0578 173.8788 -18 P 4.3905 0.0000 0.0000 62.9586 32.7157 176.4934 -17 R 4.4814 8.1845 117.9976 53.9176 33.4717 174.8982 -16 G 4.0184 8.5313 107.7201 46.1173 0.0000 173.2201 -15 S 4.6496 8.2091 119.3962 56.5909 65.2450 174.9128 -14 H 4.4738 8.9434 120.3073 57.7559 28.7124 175.7755 -13 M 4.5179 7.8906 120.5742 54.5344 32.4580 175.4462 -12 A 4.3697 7.6039 121.2961 52.6051 19.2878 177.9005 -11 S 4.8104 8.5874 118.2834 56.4129 63.8942 175.7610 -10 M 4.0815 8.7887 125.3445 57.4330 31.3401 175.5966 -9 T 4.4419 7.7121 106.6051 61.3971 69.2209 174.7315 -8 G 4.1136 8.1166 109.5361 46.7484 0.0000 176.1969 -7 G 4.3223 8.6866 107.0812 45.7825 0.0000 171.8986 -6 Q 5.1512 8.2377 117.6109 54.0599 32.5407 175.5652 -5 Q 4.2586 9.1849 121.7013 55.9143 30.0026 175.8345 -4 M 4.1733 8.6451 121.7842 54.6799 32.4782 176.4951 -3 G 3.9547 8.6233 113.0989 45.4535 0.0000 174.8866 *-1 G 3.8978 8.1696 110.6494 45.1039 0.0000 173.7106 -20 S 4.4984 8.3193 114.6671 56.8342 64.0902 173.3090 -19 M 4.0661 8.3031 119.5438 52.4942 32.0578 173.8788 -18 N 4.7105 9.3415 120.4317 52.7586 39.5157 174.3934 -17 D 4.7814 8.2945 117.8976 52.1176 43.6717 174.8982 -16 C 4.6084 8.5213 117.5201 59.2173 25.9443 172.9201 -15 L 4.5196 8.0591 125.4962 53.3909 43.8450 177.9128 -14 F 4.3638 8.8234 122.4073 60.4559 39.3124 177.4755 -13 C 4.5879 7.9306 119.5742 57.3344 27.5580 173.7462 -12 K 4.3697 7.6539 117.8961 56.3051 33.2878 176.7005 -11 I 4.5104 8.2774 122.4834 59.2129 38.8942 177.5610 -10 V 3.7215 8.5387 124.9445 64.2330 31.3401 175.5966 -9 A 4.4119 7.8021 116.8051 52.0971 18.5209 177.8315 -8 G 4.1136 8.1166 109.5361 46.7484 0.0000 176.1969 -7 D 5.0023 8.6966 118.6812 54.8825 37.9301 173.2986 -6 I 4.9812 7.9177 117.7109 59.4599 41.9407 175.9652 -5 P 4.3386 0.0000 0.0000 63.5143 32.7026 177.1345 -4 S 4.1633 8.6751 117.8842 57.5799 63.3782 174.7951 -3 S 4.4647 8.6033 119.9989 58.6535 64.0678 174.5866 18 K 4.5205 8.1090 123.3169 56.2566 32.7748 177.4333 19 V 4.4829 8.4538 114.9768 61.9376 34.4666 175.3337 20 Y 4.7837 7.7667 119.1196 56.6862 42.0612 172.8279 21 E 4.9389 7.3464 125.1703 55.2934 32.8076 173.9424 22 D 4.4637 8.7932 127.1169 52.9757 42.0661 175.9120 23 E 4.0262 8.9491 113.3967 58.8572 30.0460 173.2056 24 D 4.8878 8.7622 117.1651 54.6280 42.7835 176.1573 25 V 5.0021 7.5994 117.8905 60.8863 35.6037 174.0524 26 L 5.2420 8.9521 127.0370 53.2116 45.5058 174.8674 27 A 5.0832 9.4447 127.4448 50.0851 22.2616 174.8574 28 F 5.5813 7.9611 115.4814 54.8498 42.0202 173.9536 29 L 4.4782 8.6170 120.1088 54.8693 42.4855 176.5614 30 D 4.5213 8.9275 123.7915 53.8366 41.4177 177.2828 31 I 3.8366 8.5386 128.1252 63.9345 37.2747 177.1337 32 S 4.3018 8.5809 113.7330 58.5489 63.8472 174.1498 33 Q 3.2960 7.9588 118.2038 56.4967 26.1439 173.0926 34 A 4.1992 8.3163 121.7427 54.8832 19.2466 177.6653 35 T 4.7314 7.3547 103.3951 59.2458 72.2283 172.6649 36 K 4.1469 8.5702 123.0511 58.1409 32.1211 176.7048 37 G 3.9718 9.0704 114.7828 44.9312 0.0000 172.3239 38 H 4.3690 8.2014 120.6387 57.3148 30.8034 174.1972 39 T 4.9607 9.0317 121.2378 61.7182 73.0397 172.6514 40 L 4.8175 8.2737 124.3577 52.8112 44.6677 175.4980 41 V 4.6262 8.4698 123.6714 60.9427 33.7358 174.3886 42 I 4.9882 8.7657 121.4901 58.1356 40.8965 173.1442 43 P 4.8090 0.0000 0.0000 62.7571 31.6535 176.5034 44 K 4.2238 8.9793 122.5685 59.4447 32.7176 177.6809 45 E 4.0924 8.1224 120.9769 55.6497 30.0827 175.5686 46 H 4.0754 8.7808 126.8684 56.0666 30.7327 174.5220 47 V 4.5382 7.4629 124.2291 59.9653 34.4182 175.7478 48 R 4.1555 9.0766 121.7737 58.4527 30.2885 175.6760 49 N 4.3661 7.4172 112.1422 52.3456 39.5841 174.6868 50 A 4.1438 8.3340 120.1626 55.0357 18.6510 179.6467 51 L 4.0331 8.1496 115.6049 57.6054 41.7477 178.0217 52 E 5.3089 8.0771 115.3756 56.3858 29.6261 175.6649 53 M 4.6532 7.6552 119.0638 54.4376 33.5349 176.7778 54 T 4.3598 8.8557 113.1166 61.0322 71.4709 175.9397 55 Q 4.0520 8.4724 119.3774 59.6178 28.5024 178.6694 56 T 3.9029 7.8461 117.2558 66.5835 68.6115 176.4259 57 Q 4.0027 8.3714 119.9095 58.9647 28.7394 178.9364 58 A 4.1982 8.1632 121.5547 55.0236 18.5031 179.5388 59 A 4.0300 8.5536 119.7579 55.4610 18.2605 179.6626 60 N 4.3192 8.2555 114.0639 56.2642 38.5474 177.1510 61 L 4.0284 8.0373 121.7067 58.1887 42.2044 178.7349 62 F 4.0561 8.5237 116.2270 58.9536 38.8372 177.5739 63 A 4.0221 7.8510 120.4478 55.2661 18.5627 179.2328 64 R 4.0488 7.5808 114.8257 57.9019 30.3067 179.0565 65 I 3.6473 7.8103 120.9067 63.7069 37.0147 176.2621 66 P 4.2354 0.0000 0.0000 65.5138 31.1698 178.5277 67 K 3.8730 7.8447 117.8176 59.4700 32.0986 178.8475 68 I 3.5168 7.4438 119.4595 64.1903 36.9588 178.2366 69 A 3.9329 8.3800 122.0139 55.1466 18.1120 179.8991 70 R 3.7994 8.3039 116.6612 59.2969 30.1274 179.1364 71 A 3.9409 7.8725 120.4968 55.0582 18.4017 179.3027 72 L 3.8853 8.1624 119.2164 58.4297 42.2396 179.0419 73 Q 3.9195 8.2322 119.4555 58.9746 28.7465 178.3820 74 K 3.9398 8.0579 118.4040 59.5265 32.2499 178.8484 75 A 4.1631 8.2427 120.2516 54.8534 18.4103 178.8630 76 T 4.3349 7.9338 105.3560 60.7429 69.8957 174.7204 77 K 3.8447 7.9059 119.7722 57.2810 30.3923 175.3993 78 A 3.7207 7.8975 119.4723 52.2931 18.9752 178.1963 79 D 4.5180 8.3443 120.8132 56.3751 41.8795 176.1902 80 G 4.0662 7.4090 104.0308 45.9236 0.0000 171.5789 81 L 4.9719 8.1817 120.1155 53.9179 45.1477 174.1166 82 N 5.0352 9.1665 123.6961 51.7547 41.0945 173.7513 83 I 4.9813 8.3637 123.6223 59.7767 39.2415 175.1685 84 I 4.7725 8.9621 127.5194 59.5272 41.4489 173.7358 85 N 5.2827 8.9965 124.5945 51.8596 41.3536 172.9496 86 N 4.9405 8.8538 123.1099 51.4389 40.8035 173.8320 87 N 4.9242 8.4409 119.5899 52.3941 40.8604 174.6861 88 E 4.3769 9.7962 121.9510 55.5920 29.6471 175.4867 89 E 4.3575 9.0759 119.7919 59.1403 29.8002 179.0323 90 T 3.8707 8.0160 107.0494 63.6610 69.0035 174.4979 91 A 4.4137 7.7535 123.8484 51.8060 19.1592 177.5860 92 G 4.0323 8.1748 105.2518 45.2176 0.0000 174.4878 93 Q 3.9316 8.0945 122.2018 56.4301 29.3937 176.4297 94 T 4.3462 8.2061 113.3107 61.0022 70.8669 173.8327 95 V 4.0219 7.3420 121.5469 61.1060 32.7962 175.6034 96 F 4.6095 8.4081 128.7733 57.7964 39.1352 175.0585 97 H 4.9131 7.7365 118.5541 53.6933 32.7207 172.2742 98 A 4.3378 8.6739 129.3025 53.0828 18.7818 176.4787 99 H 4.9980 8.2237 113.6208 54.1109 32.1374 172.8916 100 V 4.4221 8.6060 122.2606 61.5668 33.3200 174.3898 101 H 4.9183 9.7859 126.5503 55.4892 30.4068 174.3292 102 L 4.8797 9.1753 123.0263 53.1253 44.1318 175.7839 103 V 4.3536 8.6317 125.7552 60.0473 32.9853 173.0621 104 P 4.6316 0.0000 0.0000 62.6189 32.1928 176.1971 105 R 4.7546 8.5001 121.2943 54.3353 34.0101 174.5672 106 F 5.0297 9.2991 121.0570 55.3767 41.8211 174.2811 107 A 3.9984 9.6888 131.5398 53.2163 17.1837 177.1324 *109 S 4.5785 8.2283 116.9048 58.3055 64.9064 173.8961 110 D 4.7841 8.0456 117.9973 54.4971 41.2156 176.0663 111 E 4.3818 8.6051 120.3286 57.0457 30.4609 176.8502 112 F 4.1832 8.0916 121.1946 58.3492 40.0292 173.4195 113 D 4.3507 6.6424 123.7139 53.2955 43.7178 174.2941 114 I 4.1289 8.0092 125.0103 59.4766 39.1226 176.4568 115 R 4.2156 8.0645 126.5622 55.3875 28.4636 175.1280 116 F 4.5222 8.0680 121.9600 55.2887 37.7988 176.0925 117 V 3.8613 7.7703 116.8405 61.3035 32.3950 175.7692 118 Q 4.7314 8.2012 119.9028 54.5270 32.0906 174.7585 119 H 4.9733 8.3102 116.2310 53.8182 32.8121 173.0902 120 E 4.1552 8.5944 121.7811 55.3327 30.0524 175.3097 121 P 4.1742 0.0000 0.0000 62.2661 32.4492 175.8464 122 D 4.4884 8.1013 119.6278 53.0643 42.1268 177.3035 123 F 4.3452 8.4596 127.0461 60.5680 39.1040 177.8699 124 T 3.9107 8.0742 115.2182 66.8569 68.3528 176.6191 125 R 3.9499 8.1451 119.7927 59.2952 30.0187 178.9589 126 L 4.0536 8.4694 120.6916 58.0457 42.1111 179.2902 127 G 3.6290 8.4029 105.9076 47.7486 0.0000 175.5503 128 Q 4.0131 8.0388 121.7302 58.6507 29.0739 177.8796 129 L 3.9071 8.2527 121.5194 58.0662 42.0959 178.7354 130 A 4.0548 8.2874 123.1867 55.8365 18.3361 179.8151 131 E 3.9406 8.2319 116.7266 61.6776 29.5600 180.9520 132 D 4.5931 8.2679 120.0837 57.2163 40.8509 179.1893 133 I 3.7728 7.8576 120.2430 64.3730 37.1648 178.1445 134 Q 4.0095 8.3514 119.3210 59.1934 28.3508 179.4192 135 K 3.9094 7.8997 117.9048 59.7716 32.1944 178.9172 136 E 4.1286 7.7379 117.4411 59.2604 29.4116 179.0803 137 I 3.9161 7.7342 121.6345 64.9769 37.3056 177.1494 138 E 4.3052 7.9799 122.1492 58.3440 29.7275 178.1858 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 -20 L 8.17 4.37 0.00 1.68 1.53 0.92 0.54 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 -19 V 8.05 3.71 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 0.87 0.00 0.00 0.92 0.00 0.00 -18 P 0.00 4.39 0.00 2.19 2.09 0.00 3.68 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 1.97 1.97 0.00 -17 R 8.18 4.48 0.00 1.77 1.87 0.00 3.35 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.52 0.00 -16 G 8.53 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 0.00 0.00 0.00 -15 S 8.21 4.65 0.00 3.82 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 -14 H 8.94 4.47 0.00 3.31 3.39 0.00 5.55 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 -13 M 7.89 4.52 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.01 0.00 -12 A 7.60 4.37 1.33 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 0.00 0.00 0.00 -11 S 8.59 4.81 0.00 3.89 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 -10 M 8.79 4.08 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.12 0.00 -9 T 7.71 4.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 -8 G 8.12 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 0.00 0.00 0.00 -7 G 8.69 4.32 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 0.00 -6 Q 8.24 5.15 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 -5 Q 9.18 4.26 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 -4 M 8.65 4.17 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 -3 G 8.62 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 0.00 0.00 0.00 *-1 G 8.17 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 -20 S 8.32 4.50 0.00 3.95 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 -19 M 8.30 4.07 0.00 2.31 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.16 0.00 -18 N 9.34 4.71 0.00 2.73 2.90 0.00 0.00 5.89 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 -17 D 8.29 4.78 0.00 2.63 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 -16 C 8.52 4.61 0.00 2.75 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 -15 L 8.06 4.52 0.00 1.55 1.47 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 -14 F 8.82 4.36 0.00 3.16 3.27 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 -13 C 7.93 4.59 0.00 2.97 2.86 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 -12 K 7.65 4.37 0.00 1.63 1.77 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 -11 I 8.28 4.51 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 1.15 2.27 0.91 0.00 0.00 -10 V 8.54 3.72 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 0.83 0.00 0.00 0.93 0.00 0.00 -9 A 7.80 4.41 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 -8 G 8.12 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 0.00 0.00 0.00 -7 D 8.70 5.00 0.00 2.69 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 -6 I 7.92 4.98 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 1.34 0.79 0.91 0.00 0.00 -5 P 0.00 4.34 0.00 2.06 1.98 0.00 2.20 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 -4 S 8.68 4.16 0.00 3.70 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 -3 S 8.60 4.46 0.00 3.64 3.74 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 18 K 8.11 4.52 0.00 1.76 1.76 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.45 7.81 19 V 8.45 4.48 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.97 0.00 0.00 20 Y 7.77 4.78 0.00 3.04 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 21 E 7.35 4.94 0.00 1.84 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 2.06 2.22 0.00 22 D 8.79 4.46 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 23 E 8.95 4.03 0.00 2.01 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 2.23 1.91 0.00 24 D 8.76 4.89 0.00 2.70 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 25 V 7.60 5.00 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 1.13 0.00 0.00 0.94 0.00 0.00 26 L 8.95 5.24 0.00 1.79 1.49 0.96 0.98 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 27 A 9.44 5.08 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 28 F 7.96 5.58 0.00 3.11 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 29 L 8.62 4.48 0.00 1.60 1.83 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.93 4.52 0.00 2.33 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 0.00 0.00 0.00 0.00 31 I 8.54 3.84 1.91 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 1.47 0.53 0.93 0.00 0.00 32 S 8.58 4.30 0.00 4.04 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 33 Q 7.96 3.30 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 34 A 8.32 4.20 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 35 T 7.35 4.73 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 36 K 8.57 4.15 0.00 1.56 1.57 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.39 7.81 37 G 9.07 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 38 H 8.20 4.37 0.00 3.36 3.40 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 9.03 4.96 4.15 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 1.12 0.00 0.00 40 L 8.27 4.82 0.00 0.27 0.97 0.84 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.47 4.63 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 0.92 0.00 0.00 0.75 0.00 0.00 42 I 8.77 4.99 1.94 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 1.41 0.75 0.63 0.00 0.00 43 P 0.00 4.81 0.00 2.31 2.10 0.00 4.01 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 2.12 2.00 0.00 44 K 8.98 4.22 0.00 1.74 1.95 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.52 7.81 45 E 8.12 4.09 0.00 1.96 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 2.31 2.32 0.00 46 H 8.78 4.08 0.00 3.17 3.21 0.00 5.96 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 47 V 7.46 4.54 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 0.81 0.00 0.00 1.05 0.00 0.00 48 R 9.08 4.16 0.00 1.89 2.18 0.00 3.17 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 49 N 7.42 4.37 0.00 3.13 3.04 0.00 0.00 6.10 7.53 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 50 A 8.33 4.14 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.15 4.03 0.00 1.93 1.80 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.08 5.31 0.00 1.96 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 2.29 2.45 0.00 53 M 7.66 4.65 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.51 0.00 54 T 8.86 4.36 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 55 Q 8.47 4.05 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 56 T 7.85 3.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 57 Q 8.37 4.00 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 58 A 8.16 4.20 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 59 A 8.55 4.03 1.36 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 0.00 0.00 60 N 8.26 4.32 0.00 2.83 2.92 0.00 0.00 7.03 8.59 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 61 L 8.04 4.03 0.00 1.81 1.77 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.52 4.06 0.00 3.20 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.85 4.02 1.36 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 0.00 0.00 64 R 7.58 4.05 0.00 1.53 1.75 0.00 3.32 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 65 I 7.81 3.65 2.08 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.34 0.93 0.00 0.00 66 P 0.00 4.24 0.00 2.13 2.09 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 67 K 7.84 3.87 0.00 1.74 1.78 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.45 7.81 68 I 7.44 3.52 1.69 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 0.89 0.16 0.80 0.00 0.00 69 A 8.38 3.93 1.30 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 0.00 0.00 70 R 8.30 3.80 0.00 1.95 1.96 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 71 A 7.87 3.94 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 72 L 8.16 3.89 0.00 1.88 1.83 0.95 0.59 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 73 Q 8.23 3.92 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 74 K 8.06 3.94 0.00 1.93 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.67 7.81 75 A 8.24 4.16 1.30 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 0.00 0.00 76 T 7.93 4.33 4.63 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 1.32 0.00 0.00 77 K 7.91 3.84 0.00 2.05 1.98 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.41 7.81 78 A 7.90 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.34 4.52 0.00 2.51 2.70 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 80 G 7.41 4.07 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 0.00 0.00 0.00 81 L 8.18 4.97 0.00 1.53 1.44 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 82 N 9.17 5.04 0.00 2.74 2.79 0.00 0.00 6.65 7.21 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 83 I 8.36 4.98 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 1.07 0.00 0.00 84 I 8.96 4.77 1.91 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 1.20 1.11 0.96 0.00 0.00 85 N 9.00 5.28 0.00 2.81 2.79 0.00 0.00 7.00 7.79 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 86 N 8.85 4.94 0.00 2.71 2.79 0.00 0.00 6.90 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 87 N 8.44 4.92 0.00 2.70 2.77 0.00 0.00 7.14 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 88 E 9.80 4.38 0.00 2.21 2.13 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 0.00 2.29 2.44 0.00 89 E 9.08 4.36 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 90 T 8.02 3.87 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 91 A 7.75 4.41 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 92 G 8.17 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 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0.00 0.00 0.00 0.00 0.00 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 E 8.61 4.38 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 112 F 8.09 4.18 0.00 2.98 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 0.00 113 D 6.64 4.35 0.00 2.48 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 0.00 0.00 0.00 0.00 114 I 8.01 4.13 1.91 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 1.15 0.74 0.33 0.00 0.00 115 R 8.06 4.22 0.00 1.67 1.75 0.00 3.23 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 116 F 8.07 4.52 0.00 3.05 2.91 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 0.00 117 V 7.77 3.86 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 0.68 0.00 0.00 0.95 0.00 0.00 118 Q 8.20 4.73 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 119 H 8.31 4.97 0.00 3.02 3.13 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.59 4.16 0.00 1.92 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 2.22 0.00 121 P 0.00 4.17 0.00 1.36 1.78 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.67 0.00 122 D 8.10 4.49 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.46 4.35 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.07 3.91 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 1.23 0.00 0.00 125 R 8.15 3.95 0.00 1.98 1.97 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 126 L 8.47 4.05 0.00 1.81 1.88 0.92 0.97 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 0.00 127 G 8.40 3.63 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 0.00 0.00 0.00 128 Q 8.04 4.01 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 129 L 8.25 3.91 0.00 1.85 1.83 0.92 1.36 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 0.00 130 A 8.29 4.05 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 0.00 131 E 8.23 3.94 0.00 2.00 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 2.24 0.00 132 D 8.27 4.59 0.00 2.87 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 0.00 133 I 7.86 3.77 2.00 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 1.53 0.83 0.92 0.00 0.00 134 Q 8.35 4.01 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 135 K 7.90 3.91 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.80 7.81 136 E 7.74 4.13 0.00 2.05 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 2.53 2.50 0.00 137 I 7.73 3.92 1.99 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 1.38 0.34 0.91 0.00 0.00 138 E 7.98 4.31 0.00 2.09 1.72 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 2.26 2.19 0.00 * Residues marked with a * may have inaccurate shift predictions.