NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3201 8.1744 115.2449 61.4849 69.2110 173.0769 5 S 4.4425 7.5640 113.1325 57.7432 65.0810 171.9018 6 D 4.6205 8.8339 125.2890 53.9773 41.8035 175.5925 7 L 3.8312 7.7355 121.8498 55.3941 42.1077 176.9452 8 I 3.9200 8.3501 127.6466 60.4871 37.5543 174.3632 9 P 4.4633 0.0000 0.0000 61.9518 32.0417 176.0915 10 A 2.9197 8.3414 123.3919 51.5166 18.7906 175.9121 11 P 4.3736 0.0000 0.0000 60.9250 32.6509 174.4362 12 P 4.2797 0.0000 0.0000 62.5059 31.9029 177.5433 13 L 3.7649 8.4188 120.7182 57.6248 41.6844 179.3675 14 S 4.1445 7.8994 111.6910 60.0640 62.9731 174.7574 15 K 4.1697 7.9203 119.7557 56.1729 32.2302 176.6171 16 V 4.1290 7.1473 119.7953 59.8798 31.3759 173.3798 17 P 4.3393 0.0000 0.0000 62.5808 31.9201 175.0427 18 L 5.0877 7.9511 121.5430 52.8325 44.3851 175.8378 19 Q 4.0620 8.8253 128.3788 56.7843 29.3548 176.3135 20 Q 4.1688 8.8332 125.1761 56.0809 29.8481 175.4460 21 N 4.1521 8.7800 117.3480 53.5348 36.4168 174.9263 22 F 4.2014 8.3146 117.9321 59.0331 40.3513 174.0569 23 Q 4.2777 8.2438 127.2005 53.7269 29.3114 176.0415 24 D 4.7993 8.6388 123.9653 55.5977 39.6324 177.6662 25 N 4.6614 7.9406 114.3085 52.8403 37.5208 175.0937 26 Q 4.3766 7.6280 116.9781 56.0727 30.7629 176.2088 27 F 4.9835 7.8085 117.4671 59.2147 39.8325 175.0573 28 H 4.5503 8.1571 115.3619 56.1111 29.3378 174.1756 29 G 3.4929 9.1082 105.0820 43.7684 0.0000 171.8532 30 K 4.5735 7.6784 119.3994 55.1416 33.4402 177.1464 31 W 5.0829 8.6778 125.6780 55.1471 33.4918 173.6325 32 Y 4.7343 9.1575 121.6853 56.5750 39.8371 175.4849 33 V 4.1741 8.2855 124.3285 62.3672 30.5950 175.5526 34 V 4.0015 8.5488 129.4531 64.8602 32.9757 175.8600 35 G 3.9244 7.9707 105.8295 44.1965 0.0000 171.6783 36 L 5.3286 8.8705 124.4162 53.2518 45.7508 174.8343 37 A 5.1652 9.4515 127.5212 50.2042 22.9994 175.0988 38 G 3.8047 8.0215 107.8437 45.0108 0.0000 174.3414 39 N 4.3236 7.6550 117.2177 54.4445 37.4012 176.1384 40 R 4.4523 7.7421 116.0957 55.8685 31.2958 175.4684 41 I 4.1929 7.4725 120.9492 59.9773 38.1667 174.5486 42 L 4.9774 8.1198 124.2758 52.5770 44.5246 176.3227 43 R 4.0148 9.1860 126.4520 56.4833 30.9371 175.9607 44 D 4.6035 8.5805 125.3600 52.8578 42.9056 175.1641 45 D 4.4577 8.8519 125.6695 56.2102 41.1525 177.7718 46 Q 4.1167 8.1890 119.8097 58.1919 29.5937 175.6609 47 H 4.8754 8.1507 114.2949 52.8824 29.2418 171.1445 48 P 4.3947 0.0000 0.0000 62.8824 32.4976 176.3533 49 M 4.4482 8.3658 119.9498 54.8317 33.6931 175.0276 50 N 4.9053 8.7036 123.1354 53.1445 39.6752 174.6946 51 M 4.5261 8.9033 123.2653 55.9721 33.3873 174.5771 52 Y 5.1560 8.4204 121.1130 55.3579 42.6219 173.2797 53 A 5.1928 8.8832 120.0005 50.4116 22.9969 175.2515 54 T 4.9276 8.6739 115.3460 61.7665 72.7560 173.1580 55 I 4.6810 8.7427 126.9795 59.6563 40.2716 174.1144 56 Y 4.5705 9.1858 125.6493 56.5037 39.6550 174.8044 57 E 4.9499 8.9086 125.7729 54.0907 31.6613 175.6835 58 L 4.4433 8.9732 127.9233 55.4140 42.9270 176.9014 59 K 4.4649 9.3072 126.3313 55.0601 34.0629 177.7875 60 E 3.9416 8.9053 120.7478 59.8287 29.3533 178.1371 61 D 4.6450 8.0304 115.1588 53.3333 39.3858 177.0871 62 K 3.9685 8.0628 117.4238 56.8893 30.4866 176.1382 63 S 4.9216 8.0671 114.8792 57.6498 65.7432 172.3260 64 Y 5.4574 9.0933 117.3715 56.4195 41.1452 175.0498 65 N 4.9441 9.2921 121.2561 52.1659 40.4433 174.3465 66 V 4.1627 8.8010 125.7437 61.4641 33.2784 174.3515 67 T 4.9464 8.4148 125.7921 61.9326 70.9483 173.8044 68 S 5.0522 8.8200 122.6081 56.6829 65.8140 173.1983 69 V 4.2025 8.8028 124.8606 61.1015 33.4183 174.3386 70 I 4.9371 8.6246 128.5833 59.4889 41.2025 174.3545 71 S 5.2196 8.6464 120.2267 56.7677 63.7364 173.6413 72 S 4.4040 9.2973 121.9042 58.5107 66.2591 173.7651 73 H 3.9029 9.5661 121.9856 57.0912 25.7916 175.2123 74 K 3.8814 7.9665 113.1545 56.8136 30.7385 176.2341 75 K 4.6254 8.0911 118.8663 54.7216 34.5838 174.2471 76 C 5.4265 8.6473 117.8069 55.5600 41.9816 173.2079 77 E 4.8597 9.6942 125.0580 54.9668 31.3570 174.7079 78 Y 5.1635 8.8287 121.8324 56.4092 40.2957 175.1772 79 T 4.8521 8.7118 113.4357 60.0004 72.6869 172.8683 80 I 5.1752 8.3242 121.9480 59.7948 41.1643 174.4635 81 A 4.8063 8.8512 125.3085 50.8285 23.4742 174.9513 82 T 5.0586 8.6390 115.6101 61.9729 71.4010 173.4778 83 F 5.5275 9.2726 126.2905 56.3954 40.6607 175.0624 84 V 4.6225 9.0808 125.5189 60.8597 33.0091 173.4804 85 P 4.1853 0.0000 0.0000 63.6169 31.5511 176.7114 86 G 4.1585 8.2474 113.3048 45.7414 0.0000 174.4137 87 S 4.3649 8.7479 114.7822 60.5567 63.8424 174.3718 88 Q 4.4627 7.3970 118.4758 52.9104 32.5436 172.2542 89 P 4.3334 0.0000 0.0000 64.8371 31.6240 176.6603 90 G 2.9528 8.3195 110.5237 44.4993 0.0000 172.2168 91 E 5.0125 7.5324 119.4398 54.5004 32.7972 175.1382 92 F 5.4298 9.0298 120.6524 56.2699 44.2984 173.2859 93 T 5.2482 9.0131 110.2042 58.7435 72.4524 172.8955 94 L 4.9352 8.6524 121.2697 54.0535 42.6215 179.3320 95 G 4.0909 8.5501 112.5738 46.3453 0.0000 174.5926 96 N 4.4632 8.8328 123.3491 53.5206 38.1774 173.8027 *104 T 4.2305 7.8989 119.2094 63.5834 68.4550 172.2225 105 S 4.4853 7.6515 109.2514 58.3132 66.4532 175.2536 106 Y 5.3141 8.4843 129.1044 55.6927 41.6471 173.7829 107 L 4.6827 8.3399 128.0419 53.1152 45.4694 174.8900 108 V 4.4244 8.5430 126.2533 60.9003 34.3285 174.2450 109 R 4.6856 8.6744 127.7273 54.3958 33.3756 174.0806 110 V 3.6554 8.6351 128.2755 62.9969 31.7679 176.7407 111 V 4.2473 8.4078 129.0517 65.1639 32.0603 176.2290 112 S 4.8454 7.5606 112.6573 57.8502 65.6212 173.1378 113 T 3.9197 9.0374 118.9895 61.2686 70.4516 172.7180 114 D 4.6177 7.3758 125.7741 52.5727 40.0090 178.4773 115 Y 4.1241 7.7509 117.2793 59.1769 37.5885 169.9640 116 N 4.8913 8.5109 113.9042 53.0032 40.2580 173.8923 117 Q 4.6762 8.3280 117.9396 57.0342 31.0417 174.0510 118 Y 5.8144 8.7185 114.8071 55.7361 42.2430 173.0931 119 A 4.4050 9.1078 120.1506 50.6870 23.3092 175.3023 120 V 4.7083 9.0942 122.7252 61.1236 33.9728 174.7102 121 V 4.8120 8.7073 127.0063 61.0241 35.1993 173.5518 122 F 5.3955 8.8188 129.2188 56.5696 41.7449 174.2255 123 F 4.8466 8.7834 123.8154 55.4302 42.9630 174.1310 124 K 4.3889 8.0888 123.4578 54.8257 35.7521 174.2070 125 L 5.3099 8.6894 129.8607 53.2867 44.7465 175.0134 126 A 4.7131 8.8885 127.3111 50.4878 22.0790 174.6706 *128 D 4.4583 8.6381 121.0590 54.4646 42.3314 176.1810 129 N 4.3464 8.7842 121.1019 55.9779 38.8232 175.8970 130 A 4.5591 9.5399 120.6779 51.7416 18.8114 176.5527 131 E 4.4000 7.2508 116.5022 57.6478 30.2680 176.5142 132 F 4.9663 8.3831 115.5083 56.9323 41.6390 172.2264 133 F 4.9982 8.5302 112.9070 55.5684 41.6103 173.2837 134 A 4.7362 8.7621 120.6119 51.2762 23.2446 175.1877 135 I 5.4872 9.3587 113.2541 59.4563 41.0981 174.5883 136 T 5.0578 9.3219 115.2757 59.8578 72.3243 172.7553 137 I 4.6169 7.8540 123.5868 59.5384 40.1382 173.9708 138 Y 5.1942 9.6925 128.8479 57.2024 39.8096 175.0573 139 G 4.7640 9.2983 109.5186 44.6464 0.0000 174.2038 140 R 4.3287 9.5161 122.2929 57.8379 30.6734 176.3898 141 T 4.7715 7.8649 107.2092 59.3101 71.6830 173.8122 142 K 4.1253 8.0485 118.3184 57.0803 31.9816 176.9680 143 E 4.8267 7.7927 117.8744 54.7073 33.5396 174.6623 144 L 4.8450 8.1212 119.4282 51.7582 46.0520 177.0409 145 A 4.1178 8.4383 122.4509 52.4107 20.2411 178.9294 146 S 4.0097 8.6805 118.7130 61.9119 62.9630 177.0314 147 E 3.9583 8.2121 120.4575 59.6706 29.2270 179.4624 148 L 3.9386 7.7865 118.1613 57.7204 41.7914 179.5677 149 K 4.2365 7.9355 118.0545 59.4830 31.9469 179.2841 150 E 4.0579 8.7271 119.3964 59.4846 29.3117 178.9099 151 N 4.3843 8.3207 117.1244 56.6660 38.9009 176.7321 152 F 4.3885 8.5303 122.2191 61.1926 39.4693 177.3223 153 I 3.6473 8.0769 119.6233 64.4438 36.7540 178.6053 154 R 3.9410 7.9359 117.5537 59.1547 30.3111 178.5632 155 F 4.3215 8.5230 120.6553 61.4743 39.5212 177.2066 156 S 3.8407 8.0933 114.9371 61.6336 62.5734 177.0108 157 K 4.6873 8.2760 122.4878 58.6709 31.5428 179.1055 158 S 4.2852 7.5707 112.6841 59.8531 63.1352 175.2426 159 L 4.3758 7.2124 121.3401 54.2241 41.6862 176.9278 160 G 3.8508 7.8794 107.2302 45.2216 0.0000 173.4007 161 L 4.4457 7.6066 120.3997 51.9873 42.5633 174.7597 162 P 4.8418 0.0000 0.0000 61.7864 32.6516 177.0561 163 E 4.0042 8.7852 117.9635 59.5297 29.4792 178.8494 164 N 4.6485 8.2332 114.0307 54.4259 37.9933 175.4081 165 H 5.6411 8.3334 115.9232 54.9048 29.1511 173.3910 166 I 5.0440 7.5778 119.6133 59.6663 39.9169 175.4362 167 V 4.5162 8.8825 119.3606 59.5647 36.2081 174.9536 168 F 4.9833 8.6235 121.1761 53.8372 40.3584 173.0671 169 P 4.5321 0.0000 0.0000 63.0445 32.1117 176.3648 170 V 3.8637 9.0542 124.4803 61.9888 32.5747 173.5638 171 P 4.7250 0.0000 0.0000 62.7345 31.5901 175.8289 172 I 4.6393 8.3148 116.8526 59.2242 40.4359 175.0219 173 D 4.8621 8.4236 119.3278 54.4351 41.7573 177.0243 174 Q 4.3345 7.9205 118.7432 56.1849 29.7792 177.3497 175 C 4.2517 8.8249 115.6145 58.2718 39.2510 173.8351 176 I 4.0647 7.8430 110.4550 60.8283 37.8977 175.5102 177 D 4.6626 8.0152 126.6482 54.6465 40.9255 176.0612 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 4 T 8.17 4.32 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 1.22 0.00 0.00 5 S 7.56 4.44 0.00 3.92 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 6 D 8.83 4.62 0.00 2.73 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 7 L 7.74 3.83 0.00 1.63 1.68 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.35 3.92 1.96 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 1.11 0.00 0.00 9 P 0.00 4.46 0.00 2.15 2.06 0.00 3.82 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 1.97 1.96 0.00 10 A 8.34 2.92 1.12 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 11 P 0.00 4.37 0.00 1.94 1.96 0.00 2.98 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 12 P 0.00 4.28 0.00 2.14 2.13 0.00 3.56 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 1.95 1.90 0.00 13 L 8.42 3.76 0.00 1.61 1.62 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.90 4.14 0.00 3.91 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 15 K 7.92 4.17 0.00 1.70 1.73 0.00 1.53 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.25 7.81 16 V 7.15 4.13 1.70 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 0.38 0.00 0.00 0.05 0.00 0.00 17 P 0.00 4.34 0.00 2.14 1.93 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 18 L 7.95 5.09 0.00 1.48 1.43 0.86 0.66 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 19 Q 8.83 4.06 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.67 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 20 Q 8.83 4.17 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 21 N 8.78 4.15 0.00 2.86 2.88 0.00 0.00 6.89 7.45 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 22 F 8.31 4.20 0.00 2.97 3.04 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 23 Q 8.24 4.28 0.00 1.33 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 24 D 8.64 4.80 0.00 2.97 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 25 N 7.94 4.66 0.00 2.73 2.89 0.00 0.00 5.83 7.39 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 26 Q 7.63 4.38 0.00 1.16 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.04 1.92 0.00 27 F 7.81 4.98 0.00 3.32 3.39 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 28 H 8.16 4.55 0.00 3.58 3.61 0.00 5.56 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 29 G 9.11 3.49 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 0.00 30 K 7.68 4.57 0.00 1.52 1.37 0.00 1.46 0.00 0.00 1.02 0.00 0.00 2.57 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.66 1.02 7.81 31 W 8.68 5.08 0.00 2.44 2.39 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 32 Y 9.16 4.73 0.00 3.20 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 33 V 8.29 4.17 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 0.57 0.00 0.00 0.56 0.00 0.00 34 V 8.55 4.00 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 1.03 0.00 0.00 1.14 0.00 0.00 35 G 7.97 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 36 L 8.87 5.33 0.00 1.70 1.45 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.45 5.17 1.10 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 38 G 8.02 3.80 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 0.00 0.00 0.00 39 N 7.66 4.32 0.00 2.79 2.84 0.00 0.00 6.83 7.51 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 40 R 7.74 4.45 0.00 1.69 1.89 0.00 3.33 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 41 I 7.47 4.19 2.15 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.91 0.00 0.00 42 L 8.12 4.98 0.00 1.41 1.47 0.88 0.77 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 43 R 9.19 4.01 0.00 1.95 1.90 0.00 3.43 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 44 D 8.58 4.60 0.00 2.79 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 45 D 8.85 4.46 0.00 2.72 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 46 Q 8.19 4.12 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.22 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 47 H 8.15 4.88 0.00 3.08 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.39 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 49 M 8.37 4.45 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 50 N 8.70 4.91 0.00 2.69 2.78 0.00 0.00 6.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.90 4.53 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.61 0.00 52 Y 8.42 5.16 0.00 3.22 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 53 A 8.88 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.67 4.93 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 0.76 0.00 0.00 55 I 8.74 4.68 1.72 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 1.04 0.64 0.85 0.00 0.00 56 Y 9.19 4.57 0.00 2.50 2.06 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 0.00 57 E 8.91 4.95 0.00 1.98 1.94 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 2.24 2.21 0.00 58 L 8.97 4.44 0.00 1.89 1.69 0.92 0.66 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 59 K 9.31 4.46 0.00 1.98 1.77 0.00 1.78 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.50 7.81 60 E 8.91 3.94 0.00 1.96 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 2.39 0.00 61 D 8.03 4.64 0.00 2.80 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 62 K 8.06 3.97 0.00 2.02 2.08 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.37 7.81 63 S 8.07 4.92 0.00 4.27 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 64 Y 9.09 5.46 0.00 3.04 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 65 N 9.29 4.94 0.00 2.68 2.76 0.00 0.00 6.40 8.42 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 66 V 8.80 4.16 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 -0.06 0.00 0.00 0.04 0.00 0.00 67 T 8.41 4.95 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 1.28 0.00 0.00 68 S 8.82 5.05 0.00 3.68 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 69 V 8.80 4.20 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 0.65 0.00 0.00 0.39 0.00 0.00 70 I 8.62 4.94 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.78 0.82 0.00 0.00 71 S 8.65 5.22 0.00 3.89 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 72 S 9.30 4.40 0.00 3.91 3.86 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 73 H 9.57 3.90 0.00 3.25 3.35 0.00 6.03 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.97 3.88 0.00 1.93 1.95 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.46 7.81 75 K 8.09 4.63 0.00 1.96 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.58 7.81 76 C 8.65 5.43 0.00 2.99 3.15 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 77 E 9.69 4.86 0.00 1.86 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 2.29 0.00 78 Y 8.83 5.16 0.00 2.73 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 79 T 8.71 4.85 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 1.20 0.00 0.00 80 I 8.32 5.18 1.87 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 1.28 0.70 0.95 0.00 0.00 81 A 8.85 4.81 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 82 T 8.64 5.06 4.38 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 1.37 0.00 0.00 83 F 9.27 5.53 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.08 4.62 2.23 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 1.08 0.00 0.00 1.09 0.00 0.00 85 P 0.00 4.19 0.00 1.97 1.92 0.00 3.83 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 2.12 2.38 0.00 86 G 8.25 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 87 S 8.75 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 137 I 7.85 4.62 1.13 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 1.22 1.65 0.13 0.00 0.00 138 Y 9.69 5.19 0.00 2.42 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 0.00 139 G 9.30 4.76 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 0.00 0.00 0.00 140 R 9.52 4.33 0.00 1.66 1.87 0.00 2.48 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 141 T 7.86 4.77 4.21 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 1.24 0.00 0.00 142 K 8.05 4.13 0.00 1.52 1.69 0.00 1.48 0.00 0.00 1.35 0.00 0.00 2.65 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.44 0.32 7.81 143 E 7.79 4.83 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 144 L 8.12 4.85 0.00 1.61 1.54 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.44 4.12 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 0.00 146 S 8.68 4.01 0.00 3.84 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 0.00 147 E 8.21 3.96 0.00 1.99 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 2.40 2.41 0.00 148 L 7.79 3.94 0.00 1.77 1.57 0.87 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.94 4.24 0.00 1.81 1.63 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.55 1.62 7.81 150 E 8.73 4.06 0.00 2.14 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 2.48 2.47 0.00 151 N 8.32 4.38 0.00 3.07 2.92 0.00 0.00 6.88 7.44 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 0.00 152 F 8.53 4.39 0.00 3.15 3.44 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 0.00 153 I 8.08 3.65 2.19 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.21 0.98 0.00 0.00 154 R 7.94 3.94 0.00 1.99 2.04 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 155 F 8.52 4.32 0.00 3.16 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 0.00 156 S 8.09 3.84 0.00 3.80 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 0.00 157 K 8.28 4.69 0.00 1.93 1.82 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.52 7.81 158 S 7.57 4.29 0.00 3.97 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 0.00 159 L 7.21 4.38 0.00 1.72 1.64 0.67 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 160 G 7.88 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 0.00 0.00 0.00 161 L 7.61 4.45 0.00 1.82 1.57 0.85 0.82 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 0.00 162 P 0.00 4.84 0.00 2.25 2.20 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 163 E 8.79 4.00 0.00 2.08 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 2.45 2.34 0.00 164 N 8.23 4.65 0.00 2.84 3.06 0.00 0.00 6.16 7.90 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 0.00 165 H 8.33 5.64 0.00 3.33 3.41 0.00 5.56 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.58 5.04 2.02 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 0.69 0.79 0.00 0.00 167 V 8.88 4.52 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 0.76 0.00 0.00 0.97 0.00 0.00 168 F 8.62 4.98 0.00 2.95 3.04 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 0.00 169 P 0.00 4.53 0.00 2.16 2.30 0.00 3.81 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 2.08 2.19 0.00 170 V 9.05 3.86 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 1.04 0.00 0.00 0.97 0.00 0.00 171 P 0.00 4.73 0.00 1.95 1.92 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 172 I 8.31 4.64 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.93 0.00 0.00 173 D 8.42 4.86 0.00 2.68 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 0.00 174 Q 7.92 4.33 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.02 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 175 C 8.82 4.25 0.00 3.11 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 0.00 176 I 7.84 4.06 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 1.08 0.00 0.00 177 D 8.02 4.66 0.00 2.76 2.63 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 * Residues marked with a * may have inaccurate shift predictions.