NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.6045 8.3401 122.0082 56.1182 30.3223 173.9342 7 A 4.9508 8.9231 127.2815 50.0252 22.7251 173.6109 8 T 4.9854 9.1929 116.1306 61.5797 72.7725 172.1623 9 V 4.4004 9.0539 127.4062 63.1449 32.0723 176.2073 10 T 4.7673 9.0498 117.7393 61.8732 70.7115 173.8101 11 E 4.8040 7.8647 121.7573 55.1080 33.4333 173.7285 12 I 4.9533 8.2118 125.0411 59.3257 40.5914 175.5662 13 G 3.9012 9.3377 115.7292 45.7328 0.0000 174.6591 14 K 4.1343 8.8385 120.9546 59.2518 32.7923 177.4587 15 H 4.8225 8.1286 115.3180 55.4565 29.0530 175.4581 16 A 4.4080 7.8012 124.8874 52.9731 18.8969 178.6259 17 I 4.4008 7.5911 115.7059 59.5396 39.3023 174.6736 18 D 4.5726 8.3523 124.9675 52.2965 43.5973 175.0126 19 D 4.3063 9.0671 127.1790 57.4342 41.2322 177.7687 20 S 4.2164 8.0290 111.8829 60.2250 63.0377 174.2223 21 E 4.4584 7.7108 122.9962 53.9850 28.2903 174.8220 22 K 4.2926 7.8737 122.6618 56.2331 30.8063 173.7439 *24 I 4.2157 7.8027 122.6428 60.9919 39.3391 174.2043 25 I 4.4723 8.2905 127.6504 60.3774 38.9817 174.6541 26 L 5.2294 8.8182 127.0936 53.5169 44.0771 175.6193 27 F 5.2591 8.8819 119.4940 56.2866 44.0657 174.2185 28 G 4.4244 8.9209 108.1946 45.0313 0.0000 174.7358 29 E 4.0999 8.8750 119.2998 59.5441 29.4667 178.6963 30 T 4.0981 7.8533 105.3623 61.9995 69.1208 174.5117 31 A 3.9009 7.2538 125.7092 51.9909 19.0770 178.4013 32 T 3.8582 8.1103 117.4531 63.9545 70.3204 175.1123 33 D 4.3426 8.7224 124.3221 58.2468 40.6861 179.6057 34 T 3.8455 7.7939 114.1916 66.5782 68.6591 176.2038 35 L 4.2254 7.6901 120.4202 57.5856 41.9113 179.2474 36 K 4.1334 7.9219 118.0937 58.8050 32.4189 178.6671 37 Q 4.0866 7.7824 116.8159 58.3115 29.6563 177.3152 38 H 5.1106 8.6783 116.5964 55.4944 30.2301 173.9668 39 A 4.8876 8.0500 120.2411 50.7845 23.7797 175.3286 40 V 4.5384 8.9230 119.1803 61.6812 33.6999 174.5865 41 I 5.1276 9.3610 130.0833 59.9262 38.8135 174.6575 42 Q 5.1799 9.0331 125.2157 54.3927 31.5807 175.1033 43 S 4.6226 9.3521 116.9160 57.0752 64.2499 172.3108 44 F 5.3437 8.6922 130.5018 55.4229 39.4160 173.2359 45 P 4.2277 0.0000 0.0000 65.3844 31.6139 177.6423 46 E 4.3755 8.1172 116.0045 56.1277 29.7182 178.5079 47 K 2.4800 6.9824 122.1199 59.4067 32.2358 178.2825 48 D 4.4937 7.6370 116.4507 54.7643 39.4455 176.5195 49 Q 4.2798 7.7815 118.2561 56.2796 29.4276 176.0593 50 V 4.0101 7.2871 111.9713 60.8098 32.4778 176.1337 51 T 4.4507 8.1012 119.9399 61.6851 70.1953 173.4377 52 L 4.4708 8.3130 125.9215 54.4162 42.8507 176.6380 53 A 4.7089 9.2395 123.8547 50.3032 22.4574 175.7138 54 E 4.2847 8.5778 119.4530 58.1237 30.0154 176.6183 55 G 4.0967 9.1943 111.6496 46.0025 0.0000 173.6854 56 D 4.7332 7.8992 119.0272 54.6303 42.6595 175.1120 57 H 5.4741 9.0305 114.6803 54.4901 33.6268 172.9421 58 L 5.0630 8.8118 120.9332 52.8470 45.0874 175.4095 59 K 4.8178 8.8890 125.9045 55.0816 33.7801 175.2579 60 I 4.5215 8.6739 130.7064 60.1989 38.2647 178.3326 61 G 3.9206 9.4363 122.1507 46.7777 0.0000 174.1924 62 D 4.6935 9.1794 124.3038 53.1486 40.9376 176.2515 63 T 4.2409 7.5283 118.3766 62.0517 69.8364 172.6926 64 N 5.1661 8.2779 124.5066 52.3503 40.3429 173.4703 65 Y 5.0453 9.1447 123.7051 56.5816 42.0359 174.5543 66 T 5.0120 9.2973 118.9165 61.7830 71.6814 173.7055 67 I 4.5078 8.5189 128.2304 61.6350 37.5603 176.6168 68 T 4.6539 8.9194 117.8362 62.3462 70.4116 174.5679 69 K 4.7493 7.6985 121.4683 55.4969 35.7991 174.2330 70 V 4.9133 8.2395 123.9643 61.0001 34.5509 175.3647 71 G 4.1043 9.3554 115.7906 45.9397 0.0000 174.7411 72 S 4.3174 8.9689 115.1546 60.0997 63.2127 174.9373 73 F 4.6216 8.9176 118.5451 56.3813 40.0699 177.2146 74 A 4.0004 8.1481 123.8004 55.3540 18.1092 179.6241 75 N 4.2716 8.0822 114.5766 56.3204 38.2248 177.5690 76 S 4.0942 7.9772 115.0751 61.8087 63.2085 176.1028 77 N 4.4009 8.4705 121.1400 55.4459 38.2636 177.3069 78 L 3.9582 7.9753 121.6589 58.3345 42.0825 178.8871 79 Q 4.6397 8.1874 118.2441 58.3162 28.6687 178.9146 80 S 4.3475 7.8272 114.2275 60.7149 63.5263 174.9670 81 I 4.4302 7.0019 116.9335 59.2076 39.1632 174.2586 82 A 3.8965 8.2399 119.6050 53.7611 16.3810 176.8630 83 H 5.1035 7.6556 117.9641 56.4711 31.6876 173.7574 84 S 4.4125 7.8794 117.7323 58.1424 67.0627 174.1402 85 T 4.6734 7.9538 118.3026 61.3820 70.9194 173.5085 86 L 4.3092 8.5057 127.8649 54.1991 42.6486 176.9775 87 I 4.1295 7.8025 124.7198 58.7611 39.4943 176.3256 88 F 4.5507 8.1550 131.4238 55.1716 36.4387 173.8528 89 A 3.9906 7.1254 120.8221 51.3223 22.4384 175.7146 90 D 4.6220 8.4094 118.7175 53.5896 41.6467 177.0028 91 A 3.1286 8.0998 125.4020 50.9772 18.9423 175.9644 92 P 4.4272 0.0000 0.0000 62.6444 32.1204 176.9307 93 T 3.8372 8.3440 110.5757 64.4902 69.2182 174.2207 94 D 4.5054 7.9187 122.8064 53.0567 41.2651 176.2078 95 E 3.9624 8.9098 127.4061 59.6149 29.6379 179.0661 96 D 4.4944 8.5801 117.4784 56.3413 40.9705 176.7012 97 D 4.6482 7.9648 117.5032 54.1585 41.3691 176.8919 98 V 3.7551 7.3362 120.7254 62.4452 32.0320 175.6243 99 I 3.8859 9.2389 129.3301 61.3667 37.6311 176.6433 100 R 4.0896 8.9679 125.6259 59.3055 30.1695 178.5055 101 N 5.1410 7.9979 113.4476 52.4106 38.0407 174.4898 102 G 3.6723 8.1631 106.6630 47.1391 0.0000 174.0214 103 V 4.5914 8.1214 121.8735 60.7990 33.8495 173.3249 104 Y 4.5632 8.8826 125.9285 57.5205 38.8420 175.0200 105 L 5.3597 8.6650 123.9122 53.4969 45.3972 175.7499 106 T 4.9789 8.5447 113.5309 60.2103 71.1442 171.7146 107 P 4.7155 0.0000 0.0000 63.5166 31.8755 175.5723 108 H 5.0177 8.5101 113.4775 55.7124 29.1005 175.7552 109 Q 4.0548 8.0179 121.5818 55.8398 29.4237 175.6501 110 L 3.4735 8.1398 126.8536 53.7714 42.8159 174.6521 111 P 4.5071 0.0000 0.0000 62.5099 32.1279 176.1000 112 K 4.3807 8.3641 118.4525 54.9168 32.1945 175.7470 113 I 4.5656 8.0768 124.4934 59.4687 39.8526 175.4136 114 T 4.7111 8.7533 113.7402 59.4345 72.0188 173.2166 115 I 3.7938 8.2167 122.7829 63.1185 37.2117 176.5416 116 G 4.0957 9.1837 114.2535 45.3845 0.0000 174.1302 117 T 4.1103 8.1944 117.7526 64.1950 69.7259 173.3154 118 T 4.9793 8.4923 115.0153 60.1553 71.9902 173.4312 119 I 4.7294 8.6107 125.0826 59.7856 39.8574 174.2529 120 D 4.8080 8.9481 128.9391 53.5014 42.1494 176.1624 121 Y 4.6519 8.5637 123.0092 56.9926 37.0130 174.4861 122 L 4.3713 8.6399 122.2273 53.4943 41.7236 177.2733 123 V 3.8307 8.0912 121.9680 62.8944 31.5666 175.8634 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 Q 8.34 4.60 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 7 A 8.92 4.95 1.07 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 8 T 9.19 4.99 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 9 V 9.05 4.40 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 1.00 0.00 0.00 0.95 0.00 0.00 10 T 9.05 4.77 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 1.25 0.00 0.00 11 E 7.86 4.80 0.00 2.05 1.80 0.00 0.00 0.00 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 2.35 0.00 12 I 8.21 4.95 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 1.30 0.80 0.92 0.00 0.00 13 G 9.34 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 14 K 8.84 4.13 0.00 1.79 1.94 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 15 H 8.13 4.82 0.00 3.20 3.40 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.80 4.41 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 17 I 7.59 4.40 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 1.30 0.73 0.87 0.00 0.00 18 D 8.35 4.57 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.07 4.31 0.00 2.61 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 20 S 8.03 4.22 0.00 4.05 3.99 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 21 E 7.71 4.46 0.00 1.92 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 2.25 2.31 0.00 22 K 7.87 4.29 0.00 1.78 2.02 0.00 1.84 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.47 7.81 *24 I 7.80 4.22 2.04 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 1.39 0.80 0.96 0.00 0.00 25 I 8.29 4.47 2.05 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 1.28 0.64 0.68 0.00 0.00 26 L 8.82 5.23 0.00 1.60 1.60 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.88 5.26 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 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 29 E 8.88 4.10 0.00 1.99 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 2.34 2.34 0.00 30 T 7.85 4.10 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 1.21 0.00 0.00 31 A 7.25 3.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.11 3.86 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 1.15 0.00 0.00 33 D 8.72 4.34 0.00 2.64 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 34 T 7.79 3.85 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 1.21 0.00 0.00 35 L 7.69 4.23 0.00 1.47 1.58 0.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.92 4.13 0.00 1.92 1.87 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.49 7.81 37 Q 7.78 4.09 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.00 0.00 38 H 8.68 5.11 0.00 3.31 3.39 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.05 4.89 1.49 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 0.00 0.00 0.00 40 V 8.92 4.54 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 0.98 0.00 0.00 0.96 0.00 0.00 41 I 9.36 5.13 2.08 0.00 0.00 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 1.46 0.94 0.98 0.00 0.00 42 Q 9.03 5.18 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.73 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 43 S 9.35 4.62 0.00 3.92 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 44 F 8.69 5.34 0.00 3.06 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.16 2.15 0.00 3.96 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 46 E 8.12 4.38 0.00 2.08 1.90 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 2.39 2.30 0.00 47 K 6.98 2.48 0.00 1.39 1.16 0.00 1.28 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 1.36 7.81 48 D 7.64 4.49 0.00 2.72 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 49 Q 7.78 4.28 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.73 0.00 50 V 7.29 4.01 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 0.88 0.00 0.00 0.87 0.00 0.00 51 T 8.10 4.45 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 1.26 0.00 0.00 52 L 8.31 4.47 0.00 1.68 1.64 1.07 0.96 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 53 A 9.24 4.71 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 54 E 8.58 4.28 0.00 1.97 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 2.40 2.32 0.00 55 G 9.19 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 56 D 7.90 4.73 0.00 2.73 2.82 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 0.00 0.00 0.00 57 H 9.03 5.47 0.00 3.06 3.21 0.00 5.55 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 58 L 8.81 5.06 0.00 1.60 1.39 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.89 4.82 0.00 1.80 1.65 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.36 7.81 60 I 8.67 4.52 2.11 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 1.11 0.78 0.95 0.00 0.00 61 G 9.44 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 9.18 4.69 0.00 2.75 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 63 T 7.53 4.24 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 64 N 8.28 5.17 0.00 2.64 2.60 0.00 0.00 6.94 7.54 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 65 Y 9.14 5.05 0.00 3.02 2.85 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 66 T 9.30 5.01 4.30 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 1.17 0.00 0.00 67 I 8.52 4.51 1.87 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 1.28 0.60 0.95 0.00 0.00 68 T 8.92 4.65 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 1.31 0.00 0.00 69 K 7.70 4.75 0.00 1.75 1.54 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.06 1.48 7.81 70 V 8.24 4.91 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 0.88 0.00 0.00 0.96 0.00 0.00 71 G 9.36 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 72 S 8.97 4.32 0.00 3.79 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.92 4.62 0.00 3.08 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 74 A 8.15 4.00 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 75 N 8.08 4.27 0.00 2.75 2.85 0.00 0.00 6.81 7.57 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 76 S 7.98 4.09 0.00 4.08 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 77 N 8.47 4.40 0.00 2.93 3.11 0.00 0.00 6.76 7.58 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 78 L 7.98 3.96 0.00 1.89 1.68 1.00 0.74 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 79 Q 8.19 4.64 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 80 S 7.83 4.35 0.00 4.05 3.99 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 81 I 7.00 4.43 1.92 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 1.42 0.91 1.09 0.00 0.00 82 A 8.24 3.90 1.51 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 0.00 0.00 83 H 7.66 5.10 0.00 3.21 3.22 0.00 5.99 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.88 4.41 0.00 3.88 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 85 T 7.95 4.67 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 1.05 0.00 0.00 86 L 8.51 4.31 0.00 1.39 0.86 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.80 4.13 0.92 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.35 0.79 0.00 0.00 88 F 8.15 4.55 0.00 2.94 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.13 3.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.41 4.62 0.00 2.69 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 91 A 8.10 3.13 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.43 0.00 2.16 2.06 0.00 3.24 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 1.88 2.09 0.00 93 T 8.34 3.84 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 94 D 7.92 4.51 0.00 2.69 2.79 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 95 E 8.91 3.96 0.00 2.02 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 2.38 2.28 0.00 96 D 8.58 4.49 0.00 2.66 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 97 D 7.96 4.65 0.00 2.78 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 98 V 7.34 3.76 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 0.86 0.00 0.00 0.87 0.00 0.00 99 I 9.24 3.89 1.82 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 1.42 0.74 0.85 0.00 0.00 100 R 8.97 4.09 0.00 1.80 2.00 0.00 3.01 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.71 0.00 101 N 8.00 5.14 0.00 2.85 3.13 0.00 0.00 6.05 7.03 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 0.00 102 G 8.16 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 0.00 103 V 8.12 4.59 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 0.90 0.00 0.00 0.91 0.00 0.00 104 Y 8.88 4.56 0.00 2.92 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 0.00 105 L 8.66 5.36 0.00 1.02 1.50 0.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.54 4.98 4.36 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 1.31 0.00 0.00 107 P 0.00 4.72 0.00 2.27 2.08 0.00 3.88 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 1.92 1.87 0.00 108 H 8.51 5.02 0.00 3.23 3.58 0.00 5.73 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.02 4.05 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 110 L 8.14 3.47 0.00 1.61 1.38 0.50 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.51 0.00 2.25 2.18 0.00 3.07 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 112 K 8.36 4.38 0.00 1.73 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.41 7.81 113 I 8.08 4.57 1.87 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 1.48 0.60 0.92 0.00 0.00 114 T 8.75 4.71 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 0.00 115 I 8.22 3.79 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 1.36 0.46 0.92 0.00 0.00 116 G 9.18 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 0.00 117 T 8.19 4.11 4.31 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 1.21 0.00 0.00 118 T 8.49 4.98 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 1.27 0.00 0.00 119 I 8.61 4.73 1.63 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 1.11 0.61 0.09 0.00 0.00 120 D 8.95 4.81 0.00 2.51 2.58 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 0.00 121 Y 8.56 4.65 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.64 4.37 0.00 1.80 1.68 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.09 3.83 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 0.86 0.00 0.00 1.08 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.