NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1689 8.0249 120.7873 60.8646 39.1798 174.7088 3 Q 4.4704 8.3766 124.1720 52.3815 32.4451 173.1449 4 S 4.9637 9.1710 116.4247 56.6929 67.2376 172.9492 5 Q 4.6091 8.6506 121.0800 54.7179 30.0298 175.9571 6 I 4.4027 8.1812 111.4054 60.1565 39.0391 174.6802 7 N 4.8623 7.8252 120.2550 51.1296 40.6257 174.6822 8 R 3.9639 8.5974 123.9798 59.3262 29.3147 178.3258 9 N 4.3680 8.7624 117.5923 55.9686 38.3949 177.3498 10 I 3.6853 7.4915 121.6456 64.6131 37.1954 178.6883 11 R 4.0481 7.9044 118.0678 58.8505 30.0911 178.9059 12 L 4.0241 8.1166 119.2174 57.6835 41.6431 179.1257 13 D 4.3791 8.4480 119.3879 57.0959 40.6339 178.5007 14 L 3.9364 7.9921 120.7719 58.0468 42.0230 178.7067 15 A 4.0993 8.3487 121.1087 55.4567 18.2208 179.3675 16 D 4.2830 8.1242 116.7608 57.4576 40.9074 178.9030 17 A 3.9998 7.9892 121.1463 55.0896 18.3187 179.7079 18 I 3.6638 8.0833 118.6706 64.6756 37.2408 178.7455 19 L 4.0521 8.2407 119.9816 57.5259 41.3371 179.3417 20 L 3.9579 8.1453 120.5991 58.0986 42.0445 179.0030 21 S 4.0388 8.1488 113.1869 61.0551 62.3068 175.9057 22 K 3.7894 8.4028 122.5698 59.5875 32.0569 178.6158 23 A 3.9474 8.0160 120.8802 55.1278 18.0500 179.7865 24 K 3.9762 8.0895 116.2424 59.0889 32.2123 178.9004 25 K 4.1565 8.0165 116.2081 55.4965 33.0015 175.8515 26 D 4.2812 7.5413 117.4904 55.1281 39.9307 172.9705 27 L 4.7086 7.7891 117.2686 53.5779 43.9425 177.3665 28 S 4.6488 8.7426 116.2081 56.8055 66.4440 175.4434 29 F 4.1934 8.3464 121.2406 60.6187 38.6745 177.6800 30 A 4.0649 8.1732 120.2492 55.3081 18.0246 179.3782 31 E 4.0313 8.2296 114.8004 59.3527 29.8443 178.9906 32 I 3.8264 7.7675 120.0862 64.2579 37.5085 177.8881 33 A 4.2271 8.1771 121.4089 53.3449 18.2384 177.1524 34 D 4.4013 7.3735 116.8779 56.4561 41.4350 176.9816 35 G 4.0313 9.0986 114.9892 45.5088 0.0000 173.9684 36 T 4.0438 7.6508 108.8343 62.0915 69.3336 176.2619 37 G 3.9371 8.3762 108.9832 45.3495 0.0000 172.7994 38 L 4.7494 7.5881 118.1518 51.9929 44.8813 176.8977 39 A 4.2297 8.2835 122.8929 51.6742 20.2760 178.5012 40 E 3.9177 8.9399 121.7064 59.9100 29.4307 179.6261 41 A 3.8957 8.0249 121.1104 54.6297 18.4359 179.3205 42 F 3.8724 8.0173 118.6197 61.3730 39.6464 177.5318 43 V 3.6336 8.1686 118.0549 66.2680 31.3497 178.0788 44 T 3.7673 8.1523 115.4310 66.6173 68.2650 176.3815 45 A 3.8388 7.7968 122.3738 54.9711 18.2775 179.5767 46 A 4.1294 7.6049 120.4150 54.8417 18.2640 179.5800 47 L 3.9776 7.7020 116.1732 57.9665 41.7798 178.9579 48 L 4.4734 7.6136 115.8171 54.5308 41.7105 177.6840 49 G 3.9394 8.1854 107.4329 45.4726 0.0000 174.3514 50 Q 4.4858 8.1834 116.8245 55.5883 29.7676 174.6352 51 Q 4.6042 7.4247 116.0996 54.5431 33.8963 172.8401 52 A 4.9428 8.4726 121.4188 50.3851 21.3017 176.2362 53 L 4.6777 8.6882 121.7587 52.8338 43.6903 175.2587 54 P 4.3780 0.0000 0.0000 62.4336 32.3121 177.1806 55 A 4.0141 8.7777 122.5258 55.7778 18.2181 180.0907 56 D 4.2780 8.0888 116.4918 57.4188 40.8978 178.6904 57 A 4.0310 8.0201 120.6664 55.0494 18.4210 179.4012 58 A 3.9613 8.2768 119.4411 55.3507 18.4573 180.0887 59 R 3.8768 8.2605 116.8054 59.1207 30.2339 179.0536 60 L 3.9458 8.0432 120.0835 58.4518 42.1912 179.6006 61 V 3.8133 8.2298 112.7570 64.1705 31.3310 178.8619 62 G 3.6121 8.3781 105.6073 47.6703 0.0000 175.6972 63 A 4.0019 8.1970 123.1680 54.9043 18.1925 179.8856 64 K 3.9635 7.8435 115.6288 58.8378 32.2049 178.5544 65 L 4.4315 7.7229 116.0230 53.3282 42.5840 175.8198 66 D 4.4027 7.6530 117.1006 55.2860 38.6066 174.0699 67 L 4.3287 7.9540 118.1412 54.0576 43.0188 177.7989 68 D 4.7079 8.2753 121.8558 52.7738 41.9625 177.3872 69 E 3.9980 8.5419 118.6592 59.6664 29.3212 179.3540 70 D 4.4130 8.0503 118.5063 57.2781 40.9287 178.8725 71 S 4.1184 8.6424 116.0486 61.6127 62.6312 176.6015 72 I 3.7159 7.5922 121.3231 64.3294 37.1233 177.9296 73 L 4.2518 8.0008 121.0309 58.2407 41.7353 179.0195 74 L 4.0270 8.0513 118.1191 57.7837 41.7465 179.2348 75 L 4.1693 8.1360 118.7820 56.7492 42.5373 177.2317 76 Q 4.8941 7.3778 119.0127 53.5404 27.2888 174.3757 *78 I 3.9084 7.3895 119.8065 60.2669 38.8164 174.2705 79 P 4.6411 0.0000 0.0000 61.9283 32.2645 176.0673 80 L 4.2591 8.0914 121.5568 53.9362 41.0358 176.4775 81 R 4.1657 8.1527 124.9891 55.7371 30.8694 175.1089 82 G 3.0099 8.2605 107.8325 44.8576 0.0000 173.3151 83 C 4.3106 8.1365 122.3086 58.3689 30.6636 174.1664 84 I 4.0509 7.4573 122.2251 60.4023 37.5576 174.7847 85 D 4.4807 8.9260 125.7218 57.0795 41.4730 176.5675 86 D 4.6365 7.2738 115.2237 52.9924 41.4273 173.8069 87 R 4.3116 8.2592 126.8127 56.3069 29.1644 177.0296 88 I 4.0621 7.1621 116.1528 58.2851 39.1408 173.9796 89 P 4.4398 0.0000 0.0000 62.9304 31.8409 176.3813 90 T 4.2043 8.2943 110.8341 63.2170 69.8029 175.0996 91 D 4.5159 7.9562 121.6669 53.1107 42.2025 173.9188 92 P 4.4986 0.0000 0.0000 66.2784 31.5329 178.9226 93 T 3.9312 7.5585 108.8644 64.7854 67.8042 174.3988 *95 Y 4.6423 7.8784 125.3049 57.6982 40.4769 177.3846 96 R 3.9532 8.0057 117.8808 59.0822 30.0323 178.6940 97 F 4.1598 7.9854 116.6215 60.5225 39.2799 176.5291 98 Y 4.1613 7.9295 118.8123 60.2097 38.8171 178.4192 99 E 4.1313 8.0228 122.6276 55.6566 29.3603 178.5331 *101 L 4.2139 7.9393 119.0024 54.6590 43.8689 179.6805 102 Q 3.8024 7.5634 116.4801 58.3655 28.8735 177.7691 103 V 3.6816 7.8238 116.9684 64.6165 32.0297 176.1460 104 Y 4.6195 7.6771 114.2645 57.4960 39.0233 177.3673 105 G 3.6725 8.4646 109.5188 48.3538 0.0000 176.3413 106 T 4.0059 7.8339 112.1810 64.3796 68.8479 176.7393 107 T 3.9098 7.9072 118.3652 66.4510 68.4945 176.3960 108 L 4.0018 8.4818 121.4048 57.5321 41.5750 179.3721 109 K 3.7787 8.1989 119.2895 59.5546 32.1672 178.6703 110 A 4.0263 8.2125 121.0658 55.3022 18.2474 179.6525 111 L 4.0255 8.3545 117.8544 57.6643 41.6340 179.8585 112 V 3.8251 8.1206 118.6986 66.3713 31.3075 177.8913 113 H 4.9976 8.3620 117.5521 58.3436 28.3077 177.4507 114 E 3.9469 8.2320 120.4681 59.1017 29.5783 178.5409 115 K 3.9872 8.2337 117.5311 57.6940 32.3065 177.8273 116 F 4.2067 8.9451 115.3610 60.7119 41.3832 175.4301 117 G 4.0228 7.2896 102.9532 44.6098 0.0000 172.1313 118 D 4.6726 8.5415 119.3927 54.7197 42.3621 175.7267 119 G 4.1976 8.0001 110.6701 45.2229 0.0000 172.3602 120 I 4.7878 8.3270 114.8630 59.2161 41.8506 174.7318 121 I 4.5860 8.1115 123.4963 59.8668 37.8688 176.0310 122 S 4.2119 9.1165 123.1026 58.2687 62.9090 173.6864 123 A 4.0234 8.4191 127.1929 51.8810 19.2668 176.7884 124 I 4.3245 8.0262 117.0326 63.7230 39.2734 176.9348 125 N 4.7830 7.8285 122.4930 52.1226 37.6075 172.1460 126 F 5.3845 8.0259 122.5770 56.5458 42.8024 172.5259 127 K 4.5731 8.1433 123.6618 55.1454 36.2868 174.7334 128 L 5.6748 8.2621 120.0141 53.4713 44.0148 174.6847 129 D 4.7911 8.3122 117.4321 52.1757 43.1562 173.8351 130 V 4.8313 8.3082 118.9434 61.1203 33.9344 174.6819 131 K 4.7332 9.0778 126.8282 54.4314 35.7389 174.7700 132 K 4.9338 8.6146 124.5750 55.1176 33.6816 175.7041 133 V 4.7098 8.7372 119.3589 59.0926 36.3794 174.9199 134 A 4.5030 8.5946 123.8468 52.2224 19.3491 176.6172 135 D 4.6139 8.7706 120.4324 52.4488 42.1455 175.9393 136 P 4.3036 0.0000 0.0000 65.5657 31.4242 176.8025 137 E 4.2742 8.5402 115.6748 55.7840 29.7046 176.4636 138 G 4.0185 8.5830 108.3352 45.9025 0.0000 175.9295 139 G 3.8404 9.1340 108.7017 44.2584 0.0000 171.7878 140 E 5.1920 8.3546 116.8337 54.8126 33.7865 175.3816 141 R 4.8214 9.3369 119.7641 54.4745 34.7597 174.0034 142 A 5.0581 8.5870 122.8983 50.4718 21.1597 176.5890 143 V 4.2485 8.7625 122.4412 61.3259 33.8300 174.3896 144 I 4.8694 8.4638 129.2791 59.9779 39.2298 175.2667 145 T 4.5377 8.7174 124.6703 61.7870 70.5911 173.5408 146 L 4.6757 8.5452 127.0034 53.4969 43.2986 175.8147 147 D 4.6530 8.6443 123.7219 52.3988 43.5485 174.2566 148 G 4.6541 8.5239 112.0701 43.8090 0.0000 170.8026 149 K 4.3215 8.8723 124.2680 56.1350 33.8920 175.3462 150 Y 4.7704 8.6452 128.2889 57.5032 40.1961 173.7572 151 L 4.4059 8.5218 127.3046 52.0231 44.2948 174.2845 152 P 4.5490 0.0000 0.0000 62.7340 32.7924 175.8307 153 T 4.5195 8.5551 118.9968 62.2627 69.8207 174.1792 154 K 4.7508 8.4959 125.4566 53.4508 35.4011 174.5440 155 P 4.4410 0.0000 0.0000 63.0150 31.9757 176.6428 156 F 4.5052 7.7192 113.9573 57.3648 37.7174 174.2844 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 I 8.02 4.17 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.91 0.00 0.00 3 Q 8.38 4.47 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.17 4.96 0.00 3.91 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 5 Q 8.65 4.61 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 6 I 8.18 4.40 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 1.30 0.66 0.91 0.00 0.00 7 N 7.83 4.86 0.00 2.76 2.68 0.00 0.00 6.93 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.60 3.96 0.00 2.06 2.30 0.00 3.09 0.00 0.00 3.32 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.76 4.37 0.00 2.85 2.91 0.00 0.00 6.85 7.99 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 10 I 7.49 3.69 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 1.52 0.96 0.91 0.00 0.00 11 R 7.90 4.05 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.52 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 12 L 8.12 4.02 0.00 1.69 1.71 0.91 0.88 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 13 D 8.45 4.38 0.00 2.90 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 14 L 7.99 3.94 0.00 1.78 1.83 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.35 4.10 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 16 D 8.12 4.28 0.00 2.89 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 17 A 7.99 4.00 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 18 I 8.08 3.66 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.95 0.00 0.00 19 L 8.24 4.05 0.00 1.84 1.75 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.15 3.96 0.00 1.76 1.80 0.92 0.69 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 21 S 8.15 4.04 0.00 3.94 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 22 K 8.40 3.79 0.00 1.80 1.91 0.00 1.13 0.00 0.00 1.16 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.21 7.81 23 A 8.02 3.95 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 24 K 8.09 3.98 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 25 K 8.02 4.16 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.50 7.81 26 D 7.54 4.28 0.00 2.77 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 27 L 7.79 4.71 0.00 1.67 1.43 0.95 0.61 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 28 S 8.74 4.65 0.00 4.00 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 29 F 8.35 4.19 0.00 3.13 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 30 A 8.17 4.06 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 31 E 8.23 4.03 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 32 I 7.77 3.83 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.96 0.00 0.00 33 A 8.18 4.23 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 34 D 7.37 4.40 0.00 2.66 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 35 G 9.10 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 36 T 7.65 4.04 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 1.30 0.00 0.00 37 G 8.38 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 38 L 7.59 4.75 0.00 1.70 1.63 1.02 0.42 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 39 A 8.28 4.23 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 40 E 8.94 3.92 0.00 2.25 2.29 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 2.39 2.41 0.00 41 A 8.02 3.90 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 42 F 8.02 3.87 0.00 3.18 3.19 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 43 V 8.17 3.63 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 1.05 0.00 0.00 1.13 0.00 0.00 44 T 8.15 3.77 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 0.31 0.00 0.00 45 A 7.80 3.84 1.18 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 0.00 0.00 46 A 7.60 4.13 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 47 L 7.70 3.98 0.00 1.85 1.87 1.15 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.61 4.47 0.00 1.54 1.63 0.73 0.86 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 49 G 8.19 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 50 Q 8.18 4.49 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 51 Q 7.42 4.60 0.00 1.31 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 1.99 1.32 0.00 52 A 8.47 4.94 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 53 L 8.69 4.68 0.00 1.65 1.65 0.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.38 0.00 2.20 1.99 0.00 3.71 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 55 A 8.78 4.01 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 56 D 8.09 4.28 0.00 2.71 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 57 A 8.02 4.03 1.37 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 58 A 8.28 3.96 1.41 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 59 R 8.26 3.88 0.00 2.11 2.00 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 60 L 8.04 3.95 0.00 1.88 1.79 0.93 0.90 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 61 V 8.23 3.81 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 0.84 0.00 0.00 1.02 0.00 0.00 62 G 8.38 3.61 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 0.00 63 A 8.20 4.00 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 64 K 7.84 3.96 0.00 1.93 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.73 7.81 65 L 7.72 4.43 0.00 1.73 1.68 0.97 1.07 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 66 D 7.65 4.40 0.00 2.84 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 67 L 7.95 4.33 0.00 1.63 1.59 0.93 1.27 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 68 D 8.28 4.71 0.00 2.95 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 69 E 8.54 4.00 0.00 2.00 2.04 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 2.40 2.34 0.00 70 D 8.05 4.41 0.00 2.68 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 71 S 8.64 4.12 0.00 4.01 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 72 I 7.59 3.72 2.01 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 1.42 0.58 0.96 0.00 0.00 73 L 8.00 4.25 0.00 1.88 1.86 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.05 4.03 0.00 1.80 1.72 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.14 4.17 0.00 1.89 1.74 0.93 0.83 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 76 Q 7.38 4.89 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.39 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 *78 I 7.39 3.91 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.92 0.00 0.00 79 P 0.00 4.64 0.00 2.21 2.05 0.00 3.75 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 1.95 1.91 0.00 80 L 8.09 4.26 0.00 1.76 1.65 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.15 4.17 0.00 1.82 1.81 0.00 3.24 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 82 G 8.26 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 0.00 0.00 0.00 83 C 8.14 4.31 0.00 3.05 3.02 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 84 I 7.46 4.05 1.85 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 1.29 0.53 0.92 0.00 0.00 85 D 8.93 4.48 0.00 2.60 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 86 D 7.27 4.64 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.26 4.31 0.00 1.99 2.07 0.00 3.20 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 1.51 1.62 0.00 88 I 7.16 4.06 1.74 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.73 0.57 0.00 0.00 89 P 0.00 4.44 0.00 2.17 2.04 0.00 3.34 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 90 T 8.29 4.20 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 91 D 7.96 4.52 0.00 2.68 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 92 P 0.00 4.50 0.00 2.26 2.13 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.56 3.93 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 1.34 0.00 0.00 *95 Y 7.88 4.64 0.00 3.20 3.22 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 96 R 8.01 3.95 0.00 1.54 1.74 0.00 3.40 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 97 F 7.99 4.16 0.00 3.09 3.12 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 98 Y 7.93 4.16 0.00 2.90 2.61 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 99 E 8.02 4.13 0.00 1.95 1.95 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 2.29 2.38 0.00 *101 L 7.94 4.21 0.00 1.61 1.58 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.56 3.80 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 1.67 2.23 0.00 103 V 7.82 3.68 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 0.16 0.00 0.00 0.86 0.00 0.00 104 Y 7.68 4.62 0.00 3.01 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 0.00 105 G 8.46 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 4.01 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 1.20 0.00 0.00 107 T 7.91 3.91 4.62 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 1.35 0.00 0.00 108 L 8.48 4.00 0.00 1.83 1.73 0.95 0.93 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 0.00 109 K 8.20 3.78 0.00 1.83 2.00 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.47 7.81 110 A 8.21 4.03 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 0.00 111 L 8.35 4.03 0.00 1.72 1.76 0.95 0.82 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 0.00 112 V 8.12 3.83 2.21 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 1.07 0.00 0.00 0.92 0.00 0.00 113 H 8.36 5.00 0.00 3.25 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.23 3.95 0.00 1.98 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 0.00 2.29 2.33 0.00 115 K 8.23 3.99 0.00 1.60 1.19 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.52 7.81 116 F 8.95 4.21 0.00 2.40 1.45 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 0.00 0.00 0.00 0.00 117 G 7.29 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 0.00 118 D 8.54 4.67 0.00 2.72 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 0.00 119 G 8.00 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 0.00 120 I 8.33 4.79 1.85 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 1.18 1.02 0.92 0.00 0.00 121 I 8.11 4.59 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.68 0.92 0.00 0.00 122 S 9.12 4.21 0.00 3.89 3.96 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 0.00 123 A 8.42 4.02 0.99 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 0.00 0.00 124 I 8.03 4.32 1.88 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 0.97 0.93 0.00 0.00 125 N 7.83 4.78 0.00 2.80 2.75 0.00 0.00 6.51 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 0.00 126 F 8.03 5.38 0.00 3.17 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.14 4.57 0.00 1.63 1.67 0.00 1.22 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 1.15 7.81 128 L 8.26 5.67 0.00 1.71 1.42 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.31 4.79 0.00 2.66 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 0.00 130 V 8.31 4.83 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 9.08 4.73 0.00 1.68 1.65 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.48 7.81 132 K 8.61 4.93 0.00 1.77 1.71 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.46 7.81 133 V 8.74 4.71 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.99 0.00 0.00 134 A 8.59 4.50 1.23 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 0.00 0.00 0.00 135 D 8.77 4.61 0.00 2.68 2.61 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 0.00 136 P 0.00 4.30 0.00 2.08 2.12 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 137 E 8.54 4.27 0.00 2.00 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 0.00 2.31 2.37 0.00 138 G 8.58 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 0.00 139 G 9.13 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 0.00 0.00 0.00 140 E 8.35 5.19 0.00 1.81 1.82 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 2.21 2.32 0.00 141 R 9.34 4.82 0.00 1.66 1.77 0.00 3.24 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 142 A 8.59 5.06 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 0.00 143 V 8.76 4.25 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 1.05 0.00 0.00 0.94 0.00 0.00 144 I 8.46 4.87 2.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.95 0.00 0.00 145 T 8.72 4.54 4.44 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 1.18 0.00 0.00 146 L 8.55 4.68 0.00 1.65 1.97 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.64 4.65 0.00 2.56 2.41 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 0.00 148 G 8.52 4.65 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 0.00 0.00 0.00 149 K 8.87 4.32 0.00 1.93 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.45 7.81 150 Y 8.65 4.77 0.00 2.66 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 0.00 151 L 8.52 4.41 0.00 1.43 1.38 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.55 0.00 2.03 1.94 0.00 3.47 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 153 T 8.56 4.52 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 1.32 0.00 0.00 154 K 8.50 4.75 0.00 1.75 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 155 P 0.00 4.44 0.00 2.02 1.92 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 156 F 7.72 4.51 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.