NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1069 8.3149 120.1376 56.9101 33.4743 170.0342 7 L 3.4314 8.6104 128.2217 53.5453 40.8499 172.3798 8 P 4.5180 0.0000 0.0000 61.4240 32.9992 173.5546 9 P 4.2719 0.0000 0.0000 64.5003 31.6195 177.0710 10 G 3.5681 9.1350 111.1459 44.6580 0.0000 172.3135 11 W 5.3350 7.7902 120.2150 55.5416 30.1040 175.7362 12 E 4.8866 9.4231 123.4898 53.9962 32.1056 175.5609 13 K 4.2954 8.8828 126.1970 57.5927 33.5990 176.2927 14 R 4.5256 8.1684 124.8849 55.8809 34.6634 173.1144 15 M 5.0680 8.3421 114.9729 55.8016 34.1812 174.6887 16 S 4.7087 9.4941 121.9947 57.3573 63.8084 174.1586 17 R 4.1386 8.3045 124.3316 56.7167 30.3529 175.8645 18 S 4.9134 9.9083 121.3265 58.3252 61.2340 170.8594 19 S 4.2833 7.2305 119.6774 58.0372 65.9134 176.2597 20 G 3.9707 8.5921 109.2118 46.3220 0.0000 175.4977 21 R 4.6494 7.8123 119.1532 56.9276 29.3518 175.6880 22 V 4.5728 8.2345 121.5330 62.4399 32.3547 173.8055 23 Y 5.0303 8.5739 125.5457 55.7224 42.3691 173.1753 24 Y 5.1233 9.2206 116.0587 56.2930 41.0421 175.3393 25 A 5.3435 9.2027 123.9950 50.2158 23.6722 174.1400 26 N 5.5323 8.5358 117.4114 50.9705 41.1337 174.8084 27 H 4.4352 8.6520 121.1775 57.4274 29.0543 176.5882 28 I 3.9703 8.0222 120.6390 63.3595 37.4207 176.7494 29 T 4.2086 7.6885 108.2074 60.6346 70.3239 175.0990 30 N 4.3687 8.1844 118.4229 53.9052 36.9376 173.4895 31 A 4.6080 7.5406 120.8099 52.0057 19.5464 177.6584 32 S 5.5001 8.2568 114.3658 57.0458 66.6027 173.0285 33 Q 4.4449 8.5938 116.4598 55.9032 31.3740 175.0786 34 W 4.5272 9.0490 120.9070 59.6970 29.6386 177.4690 35 E 4.2681 8.1922 116.5750 55.8083 29.6003 176.4928 36 R 2.5100 8.1361 122.7243 54.9797 30.6275 174.1500 37 P 3.6473 0.0000 0.0000 63.6466 31.4129 176.3021 38 S 4.2593 7.8129 107.1655 59.6376 65.8445 177.1017 39 G 3.6057 7.9565 108.8965 45.5155 0.0000 176.8397 *45 G 3.7196 8.3692 111.9658 44.2293 0.0000 173.4077 46 K 4.5133 7.8005 115.1047 56.8985 33.8716 173.7243 47 N 4.4797 7.2044 120.8870 50.1949 37.5925 173.3055 48 G 3.9322 9.2063 119.3815 43.1052 0.0000 170.9163 49 Q 4.1022 8.6528 123.9024 53.9916 28.7851 175.5418 50 G 3.8867 8.7869 104.4163 45.0108 0.0000 172.1818 51 E 4.6405 8.5055 118.6248 54.2841 30.8216 173.4179 52 P 4.3781 0.0000 0.0000 62.4566 32.0324 177.2617 53 A 4.3938 8.5884 123.3017 54.9001 18.6454 178.0648 54 R 5.1789 7.4089 112.1446 55.0097 34.4681 175.1899 55 V 4.2930 8.0426 113.6736 59.5888 36.8023 174.1418 56 R 4.6560 7.9426 121.4239 54.7928 33.0085 173.9845 57 C 5.3351 8.5769 121.9255 58.3361 33.0728 173.2019 58 S 5.4987 9.0566 117.8285 57.7854 65.8494 172.3531 59 H 6.0916 9.0098 115.4490 55.8905 32.0249 172.7821 60 L 4.5618 8.6433 120.1161 53.1854 44.9708 174.3407 61 L 5.0067 8.5893 128.7709 53.3471 44.4548 174.9298 62 V 4.6729 8.5487 126.3260 61.2651 33.5145 175.2216 63 K 4.6975 9.0505 128.1666 55.7095 34.1638 175.0462 64 H 4.9958 9.3326 117.3869 54.0643 31.6382 174.4225 65 S 4.0923 9.0691 114.0578 61.0454 62.6162 175.1487 66 Q 4.5031 8.1062 117.5674 55.5429 28.7090 175.8133 67 S 4.4078 8.1729 116.6041 58.1094 63.2696 175.6368 68 R 4.0600 8.6483 121.2522 58.6545 28.5541 177.3974 69 R 4.5338 7.6055 117.7650 53.9967 30.7298 174.7023 70 P 4.6739 0.0000 0.0000 61.1276 31.3025 176.0177 71 S 5.0163 9.7011 112.2191 56.8135 65.7895 172.7499 72 S 4.8145 8.9265 121.0277 55.7744 66.0583 174.6659 73 W 4.4929 8.9204 117.9692 59.6327 27.5132 177.5448 74 R 3.6398 6.8517 117.2124 57.8032 29.6799 176.8526 75 Q 4.4635 7.5344 113.3623 54.9696 31.6914 174.7753 76 E 3.8374 9.0286 122.8364 57.5910 29.9253 176.1019 77 K 4.4835 7.7352 119.8952 54.3580 33.0592 174.7893 78 I 4.3812 9.0690 128.3026 60.2846 37.7176 176.4388 79 T 4.5864 8.2357 112.6648 60.6811 70.4582 174.5078 80 R 4.2264 7.8252 119.6118 56.5138 30.1554 175.9621 81 T 4.5480 8.8169 111.0259 60.6488 71.6301 175.8443 82 K 3.6422 8.5866 122.2013 60.6871 32.0965 178.9639 83 E 3.9603 8.0478 118.7233 59.1864 29.5624 178.8274 84 E 4.1258 8.1909 118.3398 59.5426 29.5989 179.1771 85 A 3.9649 8.2389 120.9498 55.2760 18.3360 179.4865 86 L 3.9240 7.8401 118.7205 58.0379 42.1655 178.9845 87 E 3.9334 8.1748 117.8465 59.2371 29.4352 179.2571 88 L 3.5111 7.7263 119.8605 57.3897 41.5891 179.3079 89 I 3.6895 7.5573 119.6544 64.5963 37.0007 178.1764 90 N 4.3909 8.0995 117.2487 56.0955 38.2662 177.4655 91 G 3.5363 7.8817 107.0370 48.2737 0.0000 175.3179 92 Y 4.3879 7.5782 119.7867 60.6643 37.7659 178.6998 93 I 3.8372 8.2742 121.2591 64.2514 37.1635 178.2426 94 Q 3.9534 8.2461 120.4796 59.2620 28.6182 178.3115 95 K 3.9789 8.2901 119.5940 59.6244 32.2196 179.4176 96 I 4.3348 8.1856 121.5508 64.1044 36.9299 178.8064 97 K 4.1672 8.2837 118.0680 58.7841 31.9329 178.8126 98 S 4.4948 8.1168 113.0611 58.5879 63.5691 175.3478 99 G 4.0267 7.8673 110.2143 45.2688 0.0000 174.2287 100 E 4.1548 7.5714 117.7988 59.1282 29.9112 177.2840 101 E 4.7588 8.0786 115.9700 53.8584 34.0251 174.1200 102 D 5.1918 8.3222 121.3007 51.5927 42.9955 177.2721 103 F 3.9560 8.7522 121.6108 61.8574 39.2355 177.1465 104 E 4.2192 8.4110 117.4665 59.3676 29.1597 179.1889 105 S 3.9991 8.0626 113.1542 61.4700 62.4544 176.3077 106 L 3.9325 7.8184 121.3530 57.2366 41.3771 179.4102 107 A 3.6979 7.8151 121.1160 55.2654 17.9361 179.6283 108 S 4.3828 7.9455 115.1266 61.2245 62.6490 176.9456 109 Q 3.9145 7.3668 119.0486 57.2141 28.7360 176.6671 110 F 4.9334 7.8046 114.9270 56.6043 41.1321 175.4586 111 S 4.3331 7.8855 115.7176 58.8045 62.5324 173.1964 112 D 4.4343 9.0489 126.6792 54.2233 40.9219 175.8908 113 C 4.7781 7.7197 120.1405 57.9341 32.8649 174.6223 114 S 4.4649 8.6130 119.3377 60.7514 62.9099 176.0939 115 S 4.2817 8.2140 117.0097 59.6368 62.5755 175.4549 116 A 4.0343 7.9153 126.1761 55.4808 17.9504 179.3056 117 K 4.0630 7.3300 112.3503 57.9785 32.9243 177.0293 118 A 4.6301 8.3477 124.5739 52.6408 19.4722 177.1985 119 R 3.7814 8.9688 114.4928 57.2275 28.3253 177.6772 120 G 4.1013 8.1255 105.4597 45.0356 0.0000 173.1514 121 D 4.8892 8.1322 119.8496 53.7823 41.5568 175.7807 122 L 4.5438 8.5880 125.0557 53.7119 42.4841 177.8541 123 G 3.9088 8.7799 109.9520 44.3445 0.0000 173.1096 124 A 4.5123 8.2649 120.0013 51.7431 19.5118 176.9280 125 F 5.0569 8.4263 114.6939 56.0720 41.9537 173.2542 126 S 5.5581 8.7778 114.9425 56.4788 66.3984 173.8707 127 R 4.0777 8.2930 120.2532 57.5369 30.1341 176.6381 128 G 4.1305 9.2090 111.4267 45.9336 0.0000 174.7365 129 Q 4.1241 7.7596 118.5382 57.6152 29.4856 175.4607 130 M 4.4224 7.4435 115.1484 52.8742 34.6136 175.9318 131 Q 4.0487 8.1639 118.8357 56.2860 30.4135 178.0736 132 K 3.9533 8.6869 124.5794 59.3400 32.2580 177.4726 133 P 4.1082 0.0000 0.0000 65.2112 31.3557 178.2378 134 F 3.8920 8.2480 119.1884 61.2527 39.2422 176.6508 135 E 4.2978 8.6740 119.0911 59.6893 29.3258 178.3469 136 D 4.4394 8.9015 118.4979 57.3998 41.2677 178.6073 137 A 4.0984 8.3678 121.3886 55.2831 17.9896 179.7193 138 S 4.0144 8.5327 114.0531 61.8608 62.7653 176.7081 139 F 4.2006 8.6212 118.1797 58.9184 38.9778 176.8579 140 A 4.4358 7.6350 118.6517 51.9997 19.2013 177.4038 141 L 4.3545 6.7955 115.9632 54.2186 42.8923 176.3873 142 R 4.6902 8.9884 119.2855 54.0851 32.7899 175.8960 143 T 3.8542 8.2662 116.1037 65.6653 68.8567 173.6500 144 G 4.0709 9.0826 114.3489 45.3198 0.0000 173.8037 145 E 4.3967 8.4801 118.9292 56.0862 30.9814 175.6004 146 M 5.2581 8.4749 121.5959 53.7932 35.0705 175.3549 147 S 4.4716 8.8846 120.3169 57.4794 65.0410 174.2918 148 G 4.3548 8.2405 108.8485 43.7651 0.0000 170.9638 149 P 4.4684 0.0000 0.0000 62.6881 31.8940 176.2565 150 V 4.5057 8.7829 124.8688 61.0788 34.2605 174.0171 151 F 5.4772 9.1673 126.3217 56.3441 40.8918 175.0586 152 T 4.7940 9.0307 112.2025 60.2186 72.1085 174.3018 153 D 4.5156 8.6217 120.4034 56.9142 40.9616 179.4632 154 S 4.2886 8.0784 115.1310 59.2231 64.0944 175.6622 155 G 4.1471 6.2939 109.4303 46.1456 0.0000 172.5321 156 I 4.7573 8.3133 126.2306 59.5925 39.8258 173.9871 157 H 5.4735 9.7911 124.6972 54.1495 32.2400 173.4028 158 I 4.7703 8.5726 121.6926 59.8093 39.7886 174.5502 159 I 4.8810 8.5767 128.4138 59.5332 39.5461 174.3894 160 L 4.7743 8.4769 128.9857 53.0750 44.3967 174.8578 161 R 4.7056 8.5959 127.6671 55.8668 30.6529 176.4774 162 T 4.3269 8.9531 116.9249 62.4486 70.7896 174.7096 163 E 4.1620 7.7149 125.5354 56.7440 30.5372 174.6159 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 6 K 8.31 4.11 0.00 1.77 1.85 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 7 L 8.61 3.43 0.00 1.97 1.88 1.20 0.53 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 8 P 0.00 4.52 0.00 2.43 2.07 0.00 3.48 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 2.02 2.08 0.00 9 P 0.00 4.27 0.00 2.08 2.07 0.00 3.78 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 2.10 2.18 0.00 10 G 9.14 3.57 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 0.00 0.00 0.00 11 W 7.79 5.33 0.00 3.35 3.17 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 12 E 9.42 4.89 0.00 1.98 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 0.00 2.29 2.18 0.00 13 K 8.88 4.30 0.00 1.78 1.69 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.23 0.99 7.81 14 R 8.17 4.53 0.00 1.48 1.74 0.00 3.26 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 15 M 8.34 5.07 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 16 S 9.49 4.71 0.00 3.55 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 17 R 8.30 4.14 0.00 1.86 1.92 0.00 3.44 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 18 S 9.91 4.91 0.00 4.03 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 0.00 19 S 7.23 4.28 0.00 3.81 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 20 G 8.59 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 21 R 7.81 4.65 0.00 2.18 2.27 0.00 3.55 0.00 0.00 4.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.71 0.00 22 V 8.23 4.57 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 0.74 0.00 0.00 1.08 0.00 0.00 23 Y 8.57 5.03 0.00 3.04 2.64 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 24 Y 9.22 5.12 0.00 3.04 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 25 A 9.20 5.34 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 26 N 8.54 5.53 0.00 1.44 1.76 0.00 0.00 6.87 8.04 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 27 H 8.65 4.44 0.00 3.15 3.36 0.00 5.57 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.02 3.97 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.93 0.00 0.00 29 T 7.69 4.21 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 1.17 0.00 0.00 30 N 8.18 4.37 0.00 3.08 2.97 0.00 0.00 6.72 7.82 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 31 A 7.54 4.61 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 32 S 8.26 5.50 0.00 3.88 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 33 Q 8.59 4.44 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 34 W 9.05 4.53 0.00 3.42 3.34 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 35 E 8.19 4.27 0.00 1.95 1.84 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 2.35 2.44 0.00 36 R 8.14 2.51 0.00 1.28 1.53 0.00 3.13 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.94 0.00 37 P 0.00 3.65 0.00 1.43 0.90 0.00 2.83 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.00 38 S 7.81 4.26 0.00 3.82 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 39 G 7.96 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 *45 G 8.37 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 0.00 0.00 0.00 46 K 7.80 4.51 0.00 1.74 1.64 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 47 N 7.20 4.48 0.00 2.88 2.85 0.00 0.00 6.32 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.21 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 0.00 0.00 0.00 0.00 49 Q 8.65 4.10 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 50 G 8.79 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.51 4.64 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 52 P 0.00 4.38 0.00 2.39 2.04 0.00 3.69 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 2.08 2.11 0.00 53 A 8.59 4.39 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 54 R 7.41 5.18 0.00 1.70 1.72 0.00 3.15 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 55 V 8.04 4.29 1.55 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 0.08 0.00 0.00 -0.28 0.00 0.00 56 R 7.94 4.66 0.00 1.69 1.60 0.00 3.22 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 57 C 8.58 5.34 0.00 3.28 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 58 S 9.06 5.50 0.00 3.66 4.14 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 59 H 9.01 6.09 0.00 3.61 3.62 0.00 5.50 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.64 4.56 0.00 1.24 1.41 0.52 0.39 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 61 L 8.59 5.01 0.00 1.67 1.42 0.73 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.55 4.67 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 0.91 0.00 0.00 1.05 0.00 0.00 63 K 9.05 4.70 0.00 1.60 1.64 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.32 7.81 64 H 9.33 5.00 0.00 3.35 3.40 0.00 5.47 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.07 4.09 0.00 3.97 4.14 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 66 Q 8.11 4.50 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 67 S 8.17 4.41 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.65 4.06 0.00 1.89 2.09 0.00 3.05 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 69 R 7.61 4.53 0.00 1.85 1.78 0.00 3.11 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 70 P 0.00 4.67 0.00 2.21 2.05 0.00 3.61 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 2.12 2.29 0.00 71 S 9.70 5.02 0.00 3.77 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 72 S 8.93 4.81 0.00 3.89 3.75 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 73 W 8.92 4.49 0.00 3.46 3.28 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 0.00 74 R 6.85 3.64 0.00 1.22 1.48 0.00 2.84 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.53 4.46 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 76 E 9.03 3.84 0.00 1.95 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 2.29 2.26 0.00 77 K 7.74 4.48 0.00 1.68 1.67 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.46 7.81 78 I 9.07 4.38 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.50 0.96 0.00 0.00 79 T 8.24 4.59 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 1.20 0.00 0.00 80 R 7.83 4.23 0.00 2.00 2.09 0.00 3.18 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 81 T 8.82 4.55 4.34 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 1.26 0.00 0.00 82 K 8.59 3.64 0.00 1.97 1.84 0.00 1.47 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.54 7.81 83 E 8.05 3.96 0.00 2.07 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 2.39 2.46 0.00 84 E 8.19 4.13 0.00 2.20 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 2.30 2.31 0.00 85 A 8.24 3.96 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 86 L 7.84 3.92 0.00 1.98 1.90 0.99 0.88 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 87 E 8.17 3.93 0.00 2.19 2.28 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 2.19 2.24 0.00 88 L 7.73 3.51 0.00 1.72 1.29 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.56 3.69 1.93 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 1.44 0.60 0.88 0.00 0.00 90 N 8.10 4.39 0.00 2.85 2.82 0.00 0.00 6.94 7.74 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 91 G 7.88 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.58 4.39 0.00 3.12 2.90 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 93 I 8.27 3.84 2.03 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 1.50 0.95 0.95 0.00 0.00 94 Q 8.25 3.95 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 95 K 8.29 3.98 0.00 1.95 1.94 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.54 7.81 96 I 8.19 4.33 2.14 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 1.64 2.42 1.06 0.00 0.00 97 K 8.28 4.17 0.00 1.86 1.93 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.62 7.81 98 S 8.12 4.49 0.00 4.07 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 99 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 0.00 100 E 7.57 4.15 0.00 2.22 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 2.38 2.33 0.00 101 E 8.08 4.76 0.00 2.01 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 2.28 2.48 0.00 102 D 8.32 5.19 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.75 3.96 0.00 3.15 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 0.00 104 E 8.41 4.22 0.00 2.16 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 2.49 2.66 0.00 105 S 8.06 4.00 0.00 3.90 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 0.00 106 L 7.82 3.93 0.00 1.48 1.36 0.95 0.98 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 0.00 107 A 7.82 3.70 1.04 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 0.00 0.00 108 S 7.95 4.38 0.00 3.90 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 0.00 109 Q 7.37 3.91 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 110 F 7.80 4.93 0.00 2.70 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 0.00 111 S 7.89 4.33 0.00 3.87 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 0.00 112 D 9.05 4.43 0.00 2.68 2.54 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 0.00 0.00 0.00 113 C 7.72 4.78 0.00 3.00 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 0.00 114 S 8.61 4.46 0.00 4.11 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 0.00 115 S 8.21 4.28 0.00 4.15 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 0.00 116 A 7.92 4.03 1.52 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 0.00 0.00 117 K 7.33 4.06 0.00 1.79 1.65 0.00 1.42 0.00 0.00 1.46 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.32 7.81 118 A 8.35 4.63 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 0.00 119 R 8.97 3.78 0.00 2.00 2.08 0.00 3.42 0.00 0.00 2.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 120 G 8.13 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.13 4.89 0.00 2.65 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 0.00 122 L 8.59 4.54 0.00 2.07 1.79 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.78 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 0.00 124 A 8.26 4.51 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 0.00 125 F 8.43 5.06 0.00 3.14 3.29 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 0.00 126 S 8.78 5.56 0.00 3.90 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 0.00 127 R 8.29 4.08 0.00 1.62 1.69 0.00 3.02 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 128 G 9.21 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 7.76 4.12 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 130 M 7.44 4.42 0.00 1.57 1.74 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.81 0.00 131 Q 8.16 4.05 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 132 K 8.69 3.95 0.00 1.88 1.83 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.82 7.81 133 P 0.00 4.11 0.00 2.38 2.14 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 134 F 8.25 3.89 0.00 2.99 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 0.00 135 E 8.67 4.30 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 136 D 8.90 4.44 0.00 2.83 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 0.00 137 A 8.37 4.10 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 0.00 138 S 8.53 4.01 0.00 4.24 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.62 4.20 0.00 3.18 3.16 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 0.00 140 A 7.63 4.44 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 0.00 141 L 6.80 4.35 0.00 1.76 1.58 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.99 4.69 0.00 1.98 1.79 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 143 T 8.27 3.85 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 1.19 0.00 0.00 144 G 9.08 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 0.00 145 E 8.48 4.40 0.00 2.02 1.93 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 2.37 2.28 0.00 146 M 8.47 5.26 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 147 S 8.88 4.47 0.00 4.01 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 0.00 148 G 8.24 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.47 0.00 1.91 1.80 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 150 V 8.78 4.51 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 0.98 0.00 0.00 0.94 0.00 0.00 151 F 9.17 5.48 0.00 2.90 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 0.00 152 T 9.03 4.79 4.47 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 1.23 0.00 0.00 153 D 8.62 4.52 0.00 2.91 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 0.00 154 S 8.08 4.29 0.00 3.99 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 0.00 155 G 6.29 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 0.00 156 I 8.31 4.76 1.72 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 0.83 0.69 0.30 0.00 0.00 157 H 9.79 5.47 0.00 3.06 3.37 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.57 4.77 2.11 0.00 0.00 1.00 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 0.79 1.15 0.00 0.00 159 I 8.58 4.88 1.70 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.60 0.70 0.00 0.00 160 L 8.48 4.77 0.00 0.64 0.54 0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.60 4.71 0.00 1.84 1.69 0.00 3.12 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 162 T 8.95 4.33 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 1.18 0.00 0.00 163 E 7.71 4.16 0.00 1.83 1.74 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 2.17 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.