NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8187 8.3649 120.2949 53.2489 41.4238 174.2820 6 F 4.6824 8.6308 123.8519 56.5753 40.1061 173.1773 7 E 3.9644 9.6673 126.5440 60.2713 30.6919 176.0243 8 E 3.8578 8.1181 119.4133 56.2086 27.1886 171.4202 9 K 4.7406 8.6919 122.3611 54.0748 35.3733 174.4310 10 M 4.3492 8.6351 125.1634 54.8831 31.8460 175.4365 11 I 3.8809 9.1613 126.5406 62.9727 36.7055 175.7146 12 L 5.0142 7.7853 120.3011 54.3368 44.9047 175.1101 13 I 5.4290 8.3783 119.7831 59.7873 40.8666 174.7412 14 R 4.7844 9.4183 121.8671 55.0383 33.8323 173.9562 15 R 4.8243 8.8363 119.4008 53.4562 31.2362 174.7916 16 T 4.4217 8.1174 116.4196 61.3468 70.9860 172.7545 17 A 4.9073 8.1985 121.6430 50.7517 22.4820 175.9418 18 R 4.6306 8.7740 115.9522 54.7272 33.2943 174.1616 19 M 4.7272 8.1302 119.2858 54.1743 34.3872 175.3239 20 Q 4.3622 8.5512 119.0865 55.1944 32.8521 172.8676 21 A 3.9878 8.5664 125.1140 53.7086 18.8560 176.9682 22 G 4.1516 9.0978 111.3827 44.1957 0.0000 173.3614 23 G 3.8721 7.5027 106.7432 45.6058 0.0000 170.9001 24 R 4.5989 8.1046 115.4662 54.7422 31.1927 175.8359 25 R 4.6501 8.8148 121.8105 54.7493 33.0135 174.8991 26 F 5.1863 8.7735 123.2141 56.3962 41.6600 173.8478 27 R 4.4108 7.5188 117.6456 55.8695 34.1679 173.2052 28 F 5.2451 8.5987 119.1177 55.6228 43.3941 174.0340 29 G 4.4196 9.0574 110.1399 44.4113 0.0000 172.0654 30 A 5.4278 9.7159 127.7137 49.9957 22.4181 174.3444 31 L 5.2904 9.3986 125.4078 53.5037 44.1590 175.3783 32 V 4.7791 9.4215 126.4098 61.0335 35.3302 174.0865 33 V 4.7945 8.7554 125.5215 61.1326 34.4959 174.7733 34 V 4.6290 8.8455 126.8100 61.3584 34.4859 174.1262 35 G 4.8890 8.4895 114.5318 44.3590 0.0000 172.5143 36 D 4.6723 9.0139 122.0485 57.7194 39.9335 177.7115 37 R 4.7400 7.9550 117.3093 56.5266 28.6200 175.5654 38 Q 4.4968 9.0921 114.4242 55.0920 30.2439 175.0773 39 G 3.7934 7.7728 107.9254 45.1171 0.0000 173.1721 40 R 5.4001 8.7281 119.7254 53.0871 33.3812 175.0423 41 V 4.7910 8.3073 116.4728 59.4125 36.2530 174.8732 42 G 4.5824 8.8725 110.3644 44.0457 0.0000 171.3729 43 L 5.0246 8.4975 124.2748 52.9695 44.3841 175.5993 44 G 4.2226 9.0775 114.2236 44.2830 0.0000 170.4764 45 F 5.5542 9.1068 127.4754 56.7263 40.7254 174.6486 46 G 4.1166 10.1524 114.6680 44.3020 0.0000 171.7539 47 K 5.6823 8.0989 122.9432 53.5163 35.3748 175.2990 48 A 4.4045 8.5637 123.1247 50.9628 21.7283 175.5086 49 P 4.3534 0.0000 0.0000 65.2343 31.9692 176.4721 50 E 4.5351 8.6687 118.1090 53.8996 32.7638 175.7305 51 V 3.1016 6.9363 124.4341 65.4682 32.0502 175.9285 52 P 4.1550 0.0000 0.0000 65.8185 31.3240 178.1412 53 L 3.9391 7.9612 116.3999 58.5872 41.6848 178.9440 54 A 3.9714 8.6211 120.2361 56.1887 18.2125 179.6100 55 V 3.2355 8.8382 113.0581 66.0355 31.7596 177.9498 56 Q 3.8605 8.7797 118.2561 59.7700 29.0861 179.6176 57 K 3.9786 8.4732 118.6117 59.7748 32.2357 178.9022 58 A 4.3123 8.3248 120.7879 55.3905 18.2725 179.5455 59 G 3.6818 8.0661 104.0036 48.3321 0.0000 174.5953 60 Y 4.2689 8.4315 122.6571 60.8717 38.5493 178.1895 61 Y 3.8536 8.6887 116.7868 61.3721 38.0244 178.2929 62 A 4.0199 8.5410 122.2493 54.6916 18.2366 179.4378 63 R 3.7634 8.1776 116.3727 59.4714 30.5595 178.8329 64 R 4.2357 7.4574 115.2024 57.0409 30.6149 175.7572 65 N 4.7848 9.8171 116.5307 53.0395 41.3369 172.5331 66 M 5.5387 8.2338 124.5030 53.8686 36.8588 174.6060 67 V 4.4783 8.2265 117.3530 60.6121 35.1815 173.9049 68 E 4.5867 8.7588 121.9049 55.9517 29.1936 175.8937 69 V 3.7649 9.3887 128.1362 61.7106 31.4721 174.8731 70 P 4.5866 0.0000 0.0000 62.3303 28.5791 175.6311 71 L 4.1229 7.6301 125.2150 56.0051 42.8848 176.7430 72 Q 4.2559 8.5878 112.0588 56.6266 31.8650 174.8866 73 N 4.1824 9.7915 120.7361 53.2733 38.1958 174.3422 74 G 4.0759 8.0698 104.0912 46.3895 0.0000 172.8083 75 T 5.2550 7.9320 113.3277 58.6604 70.8517 172.5327 76 I 3.9933 8.0260 122.5883 59.6655 38.6353 173.8810 77 P 4.5313 0.0000 0.0000 66.0092 31.4425 175.4214 78 H 4.7280 7.5048 111.4416 54.4097 31.0573 173.4335 79 E 4.6319 8.7719 118.7966 56.5518 30.1928 176.8785 80 I 4.6094 8.7976 116.2397 59.6558 41.4381 173.2657 81 E 5.1484 8.8095 124.5069 54.5928 31.7343 175.5381 82 V 4.3519 8.8413 123.8561 61.2782 34.7561 173.7668 83 E 4.8098 8.9206 128.0417 55.3579 30.6469 176.4417 84 F 4.6822 9.1356 127.1730 56.5827 40.9118 176.0610 85 G 3.6431 8.0059 119.0240 45.5973 0.0000 173.3265 86 A 4.1460 8.4164 123.3153 54.7418 19.4774 177.9348 87 S 4.5102 8.0068 110.6736 58.6279 64.6168 173.5452 88 K 5.1304 8.8820 122.6310 55.4890 36.4334 174.5570 89 I 4.8219 8.0546 120.1462 60.1127 41.8850 173.0284 90 V 4.8429 8.4848 128.5415 61.2127 34.5847 174.6056 91 L 4.9561 8.8952 125.8589 53.2816 45.3874 175.3535 92 K 4.8879 9.5609 125.5611 53.4346 35.1104 174.1873 93 P 4.7119 0.0000 0.0000 62.3055 31.7948 175.5495 94 A 4.8797 8.4765 125.2519 49.4454 21.4677 176.1321 95 A 4.0226 8.6516 122.7094 51.6339 19.0239 176.0869 96 P 4.9987 0.0000 0.0000 63.1135 32.0019 176.0093 97 G 3.9491 8.6259 105.9061 47.5359 0.0000 174.9413 98 T 4.2031 9.5258 116.0651 66.1627 70.1203 174.8970 99 G 4.1610 6.6905 102.4601 43.5476 0.0000 173.0724 100 V 4.5562 7.8245 121.4043 61.2203 30.7355 174.0125 101 I 4.2543 8.4444 117.4547 59.5042 37.5503 174.9264 102 A 5.2327 7.4154 129.4063 51.5914 22.7004 175.7673 103 G 3.6981 9.1362 107.6715 45.9614 0.0000 176.3075 104 A 3.7816 7.9002 122.4261 55.0140 19.4125 179.5739 105 V 3.6090 7.9977 117.4477 64.5027 31.5670 175.6534 106 P 4.2460 0.0000 0.0000 66.9182 30.8883 177.1212 107 R 4.0442 8.4694 118.6179 57.0471 29.2398 178.3639 108 A 4.0896 8.0915 121.0691 55.6942 19.1574 179.9276 109 I 3.5402 7.8385 118.3218 64.6125 37.3880 178.7712 110 L 4.0705 8.2194 119.8763 57.2884 41.1440 179.3563 111 E 3.9806 9.0637 120.1997 59.6241 29.4052 179.4073 112 L 4.1722 7.5683 117.7442 57.0837 41.4613 179.2276 113 A 3.9866 7.7272 121.4134 54.9943 18.0496 178.6098 114 G 3.9402 7.7858 103.4466 45.8150 0.0000 175.0202 115 V 3.9651 7.1348 113.0078 61.9408 31.7478 175.9662 116 T 4.6273 9.5443 119.3382 63.4843 71.9482 173.5475 117 D 5.0696 7.7592 120.8376 52.8618 44.9547 174.2904 118 I 4.4280 8.7159 121.5972 60.0770 42.2906 172.7121 119 L 4.9691 10.0552 129.4915 53.7368 44.0283 175.9190 120 T 5.2475 8.1382 112.1045 60.5467 73.0152 171.9754 121 K 4.6047 8.0158 119.8123 56.4842 35.2823 173.7142 122 E 4.7791 8.9812 127.3080 55.6522 30.5586 175.6948 123 L 4.6550 8.5466 123.6856 53.7895 45.6386 177.8815 124 G 3.9082 8.7437 108.2925 45.5823 0.0000 173.3217 125 S 4.0994 7.9765 116.9462 59.0320 62.7076 174.9862 126 R 4.3891 8.4791 125.3529 56.0190 30.2873 176.4494 127 N 4.2378 7.8204 117.1322 54.3270 40.1638 172.2033 128 P 4.2063 0.0000 0.0000 65.1366 31.2094 179.3882 129 I 3.5966 7.2824 118.4524 64.6180 37.9414 177.3522 130 N 4.5724 10.4505 117.6581 56.6183 38.4074 177.7525 131 I 3.7930 8.1172 121.2076 64.7782 37.2840 177.2135 132 A 3.8698 9.0968 121.1483 55.3086 17.7768 178.5058 133 Y 3.7400 8.5413 115.4054 60.2155 38.2993 179.4366 134 A 3.7908 7.9480 121.6827 55.3216 18.5733 179.5434 135 T 3.7516 8.4152 114.8486 67.9407 68.4956 175.7493 136 M 3.7165 7.7970 118.4052 58.9543 31.6555 178.2045 137 E 3.8287 8.0169 122.5381 59.9756 30.2710 179.3572 138 A 4.0533 7.6595 120.8166 54.9123 18.4194 179.1867 139 L 3.8643 8.0551 116.3200 58.0025 41.7869 179.8600 140 R 3.9792 7.9133 116.9590 58.2202 30.2798 176.4455 141 Q 4.5934 7.6099 114.6951 56.2459 29.6682 175.6373 142 L 4.4697 8.3694 118.8028 54.5925 42.4178 176.2862 143 R 4.7675 8.4542 118.2015 54.8277 34.2946 174.6893 144 T 4.6741 9.4659 110.0013 59.1216 71.4641 175.0969 145 K 3.7854 8.6854 123.0312 60.4903 31.8808 177.6331 146 A 4.2549 8.1439 121.7918 53.8872 18.0462 177.8698 147 D 4.4580 8.0730 117.5658 54.6291 40.0493 178.6107 148 V 3.8650 7.4858 121.0127 65.7863 31.9212 177.4512 149 E 4.1439 8.0926 116.9880 58.4163 29.5509 178.5831 150 R 3.9421 8.5483 119.7519 58.9702 30.0566 177.5060 151 L 4.3663 7.5496 117.5667 55.9680 42.4413 176.9533 152 R 4.4866 7.4740 116.6724 56.0064 29.8907 178.1406 153 K 3.7595 7.5506 118.1046 55.3357 33.2339 177.0529 154 G 3.5759 7.7720 111.1177 47.1288 0.0000 173.7885 *155 E 4.1319 7.8440 116.6857 56.1954 30.4399 177.5942 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 5 D 8.36 4.82 0.00 2.80 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 6 F 8.63 4.68 0.00 3.00 3.01 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 7 E 9.67 3.96 0.00 2.11 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 0.00 2.35 2.32 0.00 8 E 8.12 3.86 0.00 2.21 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 2.23 2.33 0.00 9 K 8.69 4.74 0.00 1.86 1.62 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.35 7.81 10 M 8.64 4.35 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 11 I 9.16 3.88 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.90 0.00 0.00 12 L 7.79 5.01 0.00 1.65 1.72 0.89 0.66 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 13 I 8.38 5.43 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.98 0.00 0.00 14 R 9.42 4.78 0.00 1.90 2.09 0.00 2.80 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 15 R 8.84 4.82 0.00 2.10 2.00 0.00 2.76 0.00 0.00 3.48 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.99 0.00 16 T 8.12 4.42 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 17 A 8.20 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.77 4.63 0.00 1.75 1.90 0.00 2.70 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 19 M 8.13 4.73 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 20 Q 8.55 4.36 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 21 A 8.57 3.99 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 22 G 9.10 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 0.00 0.00 0.00 0.00 23 G 7.50 3.87 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 0.00 24 R 8.10 4.60 0.00 1.48 1.73 0.00 2.88 0.00 0.00 2.81 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 25 R 8.81 4.65 0.00 1.77 1.71 0.00 3.05 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 26 F 8.77 5.19 0.00 2.57 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 27 R 7.52 4.41 0.00 1.87 1.61 0.00 2.99 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 28 F 8.60 5.25 0.00 3.09 3.01 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 29 G 9.06 4.42 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 0.00 30 A 9.72 5.43 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 31 L 9.40 5.29 0.00 1.71 1.57 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.42 4.78 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 33 V 8.76 4.79 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 0.82 0.00 0.00 0.89 0.00 0.00 34 V 8.85 4.63 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 0.81 0.00 0.00 0.95 0.00 0.00 35 G 8.49 4.89 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 0.00 0.00 0.00 36 D 9.01 4.67 0.00 2.94 3.31 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 37 R 7.95 4.74 0.00 1.93 2.35 0.00 3.23 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 38 Q 9.09 4.50 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 39 G 7.77 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 0.00 0.00 0.00 40 R 8.73 5.40 0.00 2.08 1.76 0.00 3.15 0.00 0.00 3.41 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 41 V 8.31 4.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.85 0.00 0.00 42 G 8.87 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.50 5.02 0.00 1.38 1.22 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.08 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 0.00 0.00 0.00 0.00 45 F 9.11 5.55 0.00 3.05 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 46 G 10.15 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 47 K 8.10 5.68 0.00 1.39 1.54 0.00 0.61 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.96 0.61 7.81 48 A 8.56 4.40 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 49 P 0.00 4.35 0.00 2.12 2.26 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 50 E 8.67 4.54 0.00 2.07 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 2.15 2.15 0.00 51 V 6.94 3.10 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 0.89 0.00 0.00 0.29 0.00 0.00 52 P 0.00 4.16 0.00 2.16 2.05 0.00 3.60 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 2.06 2.14 0.00 53 L 7.96 3.94 0.00 1.91 1.79 0.95 0.77 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 54 A 8.62 3.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 3.24 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 1.01 0.00 0.00 0.97 0.00 0.00 56 Q 8.78 3.86 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.46 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 57 K 8.47 3.98 0.00 2.21 2.39 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.33 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.64 1.70 7.81 58 A 8.32 4.31 1.56 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 0.00 0.00 59 G 8.07 3.68 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 0.00 0.00 0.00 60 Y 8.43 4.27 0.00 2.94 3.01 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 61 Y 8.69 3.85 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.54 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.18 3.76 0.00 1.74 2.11 0.00 3.30 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 64 R 7.46 4.24 0.00 1.39 1.89 0.00 2.98 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 65 N 9.82 4.78 0.00 2.80 2.76 0.00 0.00 6.83 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 66 M 8.23 5.54 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 67 V 8.23 4.48 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 0.74 0.00 0.00 nan 0.00 0.00 68 E 8.76 4.59 0.00 1.99 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 0.00 2.26 2.30 0.00 69 V 9.39 3.76 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 0.76 0.00 0.00 1.00 0.00 0.00 70 P 0.00 4.59 0.00 2.22 2.08 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 71 L 7.63 4.12 0.00 1.66 1.69 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.59 4.26 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.42 5.91 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 73 N 9.79 4.18 0.00 2.85 2.93 0.00 0.00 7.43 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 74 G 8.07 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 75 T 7.93 5.26 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 1.29 0.00 0.00 76 I 8.03 3.99 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.92 0.98 0.00 0.00 77 P 0.00 4.53 0.00 2.49 2.20 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 78 H 7.50 4.73 0.00 3.14 3.24 0.00 5.53 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.77 4.63 0.00 1.85 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 2.32 2.38 0.00 80 I 8.80 4.61 1.83 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 1.15 0.52 0.76 0.00 0.00 81 E 8.81 5.15 0.00 1.84 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 2.20 2.26 0.00 82 V 8.84 4.35 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 1.02 0.00 0.00 0.93 0.00 0.00 83 E 8.92 4.81 0.00 1.92 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 2.28 2.31 0.00 84 F 9.14 4.68 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 85 G 8.01 3.64 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 86 A 8.42 4.15 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 87 S 8.01 4.51 0.00 4.04 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 88 K 8.88 5.13 0.00 1.78 1.65 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 89 I 8.05 4.82 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.38 0.95 0.00 0.00 90 V 8.48 4.84 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 0.92 0.00 0.00 0.96 0.00 0.00 91 L 8.90 4.96 0.00 1.72 1.48 0.91 0.84 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 92 K 9.56 4.89 0.00 1.57 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.33 7.81 93 P 0.00 4.71 0.00 2.08 2.19 0.00 3.33 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 94 A 8.48 4.88 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 95 A 8.65 4.02 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 96 P 0.00 5.00 0.00 2.05 2.03 0.00 3.88 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 97 G 8.63 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 98 T 9.53 4.20 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 99 G 6.69 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 0.00 100 V 7.82 4.56 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 0.85 0.00 0.00 0.97 0.00 0.00 101 I 8.44 4.25 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 1.24 0.80 0.91 0.00 0.00 102 A 7.42 5.23 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 9.14 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 0.00 104 A 7.90 3.78 1.31 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 0.00 105 V 8.00 3.61 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 1.06 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.25 0.00 2.28 2.31 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 107 R 8.47 4.04 0.00 1.93 2.12 0.00 3.13 0.00 0.00 3.17 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 8.09 4.09 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 0.00 109 I 7.84 3.54 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.84 0.00 0.00 110 L 8.22 4.07 0.00 1.80 1.70 0.90 0.94 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 0.00 111 E 9.06 3.98 0.00 1.88 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 2.33 2.41 0.00 112 L 7.57 4.17 0.00 1.52 1.72 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.73 3.99 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 0.00 114 G 7.79 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 0.00 115 V 7.13 3.97 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 0.67 0.00 0.00 0.95 0.00 0.00 116 T 9.54 4.63 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 0.00 117 D 7.76 5.07 0.00 2.60 2.51 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 0.00 0.00 0.00 0.00 118 I 8.72 4.43 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.96 0.90 0.00 0.00 119 L 10.06 4.97 0.00 1.81 1.55 0.92 0.45 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 0.00 120 T 8.14 5.25 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 1.20 0.00 0.00 121 K 8.02 4.60 0.00 1.88 1.67 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.33 7.81 122 E 8.98 4.78 0.00 1.89 1.87 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 2.28 2.34 0.00 123 L 8.55 4.65 0.00 1.58 1.51 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.74 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 0.00 125 S 7.98 4.10 0.00 3.82 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 0.00 126 R 8.48 4.39 0.00 1.84 1.93 0.00 3.29 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 127 N 7.82 4.24 0.00 2.75 2.72 0.00 0.00 7.19 8.27 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 0.00 128 P 0.00 4.21 0.00 2.15 1.90 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 129 I 7.28 3.60 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.60 0.71 0.00 0.00 130 N 10.45 4.57 0.00 2.94 3.01 0.00 0.00 7.17 7.31 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 0.00 131 I 8.12 3.79 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.44 0.95 0.00 0.00 132 A 9.10 3.87 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 0.00 133 Y 8.54 3.74 0.00 2.65 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 0.00 134 A 7.95 3.79 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 0.00 135 T 8.42 3.75 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 1.16 0.00 0.00 136 M 7.80 3.72 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 137 E 8.02 3.83 0.00 1.86 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 0.00 2.28 2.49 0.00 138 A 7.66 4.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 3.86 0.00 1.77 1.71 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.91 3.98 0.00 1.81 1.95 0.00 3.37 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 141 Q 7.61 4.59 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 142 L 8.37 4.47 0.00 1.67 1.65 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.45 4.77 0.00 1.60 1.72 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 144 T 9.47 4.67 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 1.21 0.00 0.00 145 K 8.69 3.79 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.51 7.81 146 A 8.14 4.25 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 0.00 147 D 8.07 4.46 0.00 2.87 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 0.00 148 V 7.49 3.87 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 149 E 8.09 4.14 0.00 2.18 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 2.64 2.30 0.00 150 R 8.55 3.94 0.00 1.87 2.06 0.00 3.25 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 151 L 7.55 4.37 0.00 1.77 1.70 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.47 4.49 0.00 1.81 1.94 0.00 3.17 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 153 K 7.55 3.76 0.00 1.74 1.74 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.39 7.81 154 G 7.77 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 E 7.84 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.