NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7228 8.2833 118.1470 52.1424 38.8498 174.8282 2 I 3.5869 7.8942 119.9859 64.0220 36.9357 176.8986 3 Y 3.9013 8.7642 121.3554 60.8103 39.0583 177.7767 4 Q 3.8068 8.4875 119.0320 58.6087 28.7462 178.3380 5 F 4.3211 8.2373 121.7903 61.2159 39.4358 176.9128 6 K 3.3559 7.9405 119.3883 59.6039 31.7760 178.4773 7 N 4.3565 7.5554 116.3530 56.2713 38.3389 177.3196 8 M 4.0796 8.0625 120.3054 58.5007 32.0960 178.7812 9 I 3.5459 7.4717 119.7489 64.5492 37.0247 178.5559 10 Q 4.2094 7.8096 117.6604 58.9135 28.5205 177.8425 11 C 4.4273 8.0905 119.2501 59.6477 43.8435 175.0610 12 T 4.1286 7.8890 109.3117 61.9896 70.1335 175.0829 13 V 4.4848 8.0411 121.1219 60.3877 31.2280 173.9718 14 P 4.4001 0.0000 0.0000 65.2392 31.9774 178.0891 15 S 4.2545 7.5674 107.7128 59.4507 63.0567 173.8503 *17 R 4.2320 7.5254 118.7845 56.0696 31.1833 175.1592 18 S 4.4379 8.1798 115.7944 57.6063 63.2350 175.2556 19 W 4.5905 9.1161 124.4327 59.4884 27.8241 178.4086 20 W 3.2100 7.3858 119.3364 59.3783 28.1033 177.6526 21 D 4.2754 7.8768 117.7737 56.1273 40.1556 177.4869 22 F 4.7179 8.0118 116.1962 57.1772 39.3500 176.1665 23 A 4.4500 8.1981 122.3272 53.8030 19.3592 177.1032 24 D 5.1314 7.7799 114.7721 53.0476 42.3388 171.9425 25 Y 4.6454 8.6451 122.7127 56.1194 42.7259 175.8662 26 G 3.8958 7.9911 116.0611 46.6905 0.0000 172.6589 27 C 4.4044 9.6037 115.9957 58.2109 40.7951 174.0184 28 Y 4.4248 8.6535 115.5833 58.3207 39.8371 175.4860 29 C 4.7205 8.3848 117.6876 58.9750 39.7491 172.8700 30 G 4.1033 8.3449 113.7099 44.4158 0.0000 173.8583 31 R 3.8951 8.4492 124.5596 57.2157 30.3834 175.9581 32 G 4.0736 9.3702 112.6889 45.5989 0.0000 174.7544 33 G 4.2175 8.1006 114.8328 43.4731 0.0000 172.1123 34 S 4.4195 7.2834 111.7830 57.3162 65.9168 173.8264 35 G 3.8170 8.7074 107.5640 44.8354 0.0000 172.3698 36 T 4.3826 8.0445 115.1649 61.6422 69.1379 173.4566 37 P 4.6510 0.0000 0.0000 63.1420 31.9002 176.7535 38 V 3.7848 8.9621 122.9161 65.8026 32.1696 174.8113 39 D 4.6345 7.5101 116.5909 51.8807 41.6405 174.7272 40 D 4.3749 8.9141 117.6399 57.9745 40.6740 178.3233 41 L 3.9883 8.0095 120.3080 58.2555 42.1041 178.3308 42 D 4.5613 8.7710 117.9949 57.5026 41.1707 178.4444 43 R 3.8762 8.1044 118.7079 59.1988 30.0052 178.2506 44 C 4.3247 8.1521 116.3245 60.5120 38.9084 175.6826 45 C 4.4391 8.2916 117.6514 59.8781 40.1455 175.9816 46 Q 3.4646 8.1224 121.4591 58.9283 28.4453 178.4109 47 V 3.4712 7.7128 119.2707 66.1743 31.5686 177.3985 48 H 3.8976 8.1886 117.9173 59.2220 29.6575 176.8461 49 D 4.2474 8.3569 120.9314 57.6148 40.8465 178.5673 50 N 4.3352 8.3057 117.0180 56.4583 38.5143 176.6223 51 C 4.2558 8.4453 120.1680 59.9787 43.7171 175.3101 52 Y 4.1420 8.0532 118.3017 61.1872 37.1765 178.2207 53 N 4.5811 7.9956 116.6308 56.3793 38.8710 177.2377 54 Q 4.1203 8.1326 119.0967 58.8893 28.9031 178.4063 55 A 4.0403 8.1026 122.0702 54.9534 18.2000 179.0518 56 Q 4.4307 7.8247 115.2127 57.4694 28.8374 177.5761 57 E 4.1903 7.8704 120.1626 57.1516 30.2542 176.7523 58 I 3.9460 7.3162 121.6534 60.5788 37.8421 175.4985 59 T 3.9384 8.5490 121.8167 65.3835 68.4844 174.1599 60 G 3.7929 8.8497 113.6670 46.0945 0.0000 173.1146 61 C 4.5345 8.1061 120.8000 55.0097 44.9931 172.8847 62 R 4.5467 8.2049 126.6328 53.3288 29.3537 174.0839 63 P 3.8777 0.0000 0.0000 65.3308 31.6627 179.3786 64 K 4.0000 7.8485 116.6098 58.0729 32.0148 178.2376 65 W 4.5543 7.2247 114.9064 56.2597 30.9567 176.0085 66 K 4.0454 8.1380 120.7507 56.4959 31.8224 176.0649 67 T 4.2025 8.4772 123.9099 62.7654 69.0950 173.6614 68 Y 4.8492 7.6797 124.3697 55.4059 40.9424 174.4937 69 T 4.9333 9.6274 116.8337 62.1817 70.4319 173.9324 70 Y 5.3966 8.5334 123.2723 55.9776 41.7002 173.4959 71 E 4.3749 9.4498 119.7717 54.6667 33.6758 173.3184 72 C 5.4261 8.6846 125.3917 54.9795 46.4206 172.8346 73 S 4.6683 8.8285 119.7925 57.9147 66.0119 174.3685 74 Q 3.5088 9.6972 120.4246 57.2840 26.0109 174.7438 75 G 3.9294 8.3455 101.3788 46.0506 0.0000 173.3068 76 T 4.4968 7.8735 116.7101 61.2348 70.9394 172.4147 77 L 5.1292 8.5213 128.4747 53.8482 43.5785 175.5188 78 T 4.7361 8.9966 122.6607 61.9774 72.6779 172.2014 79 C 4.9885 8.7338 123.0755 55.7003 39.7494 173.9905 80 K 4.3622 8.9888 123.8353 55.9716 33.0263 178.2547 81 G 3.7118 8.7178 109.7050 46.6541 0.0000 174.5641 82 R 4.2971 7.7661 115.2795 56.2999 30.1192 176.3368 83 N 4.5564 7.4654 117.2695 53.0546 39.3008 175.5127 84 N 4.7069 8.5120 120.2104 51.8185 40.1971 175.7736 85 A 3.9555 8.4843 121.1018 55.5982 18.2755 180.1423 86 C 4.1135 8.2139 115.9348 59.8517 42.5566 175.4034 87 A 4.0251 8.9732 122.4033 55.1920 17.9712 179.4232 88 A 3.8941 8.4683 119.6435 55.5319 18.4466 180.0862 89 T 3.7261 7.8394 114.2015 66.7415 68.5808 177.2422 90 V 3.4980 7.7665 120.1179 66.0774 31.4889 177.0872 91 C 2.8677 8.1388 118.6107 59.3632 44.4620 175.1552 92 D 4.0668 7.8731 119.5282 57.1959 40.8629 177.4243 93 C 4.1507 8.0764 117.1099 60.1924 40.6885 175.8894 94 D 3.7854 7.9251 120.1598 57.1137 40.3850 178.8427 95 R 3.7731 7.9913 119.3628 59.5226 30.0650 178.5648 96 L 3.9075 7.9555 118.5325 57.6213 41.4600 179.4849 97 A 3.6364 7.7732 120.3390 54.8300 18.1282 179.4520 98 A 3.4699 7.9309 119.4673 55.3272 18.2040 179.9921 99 I 3.6291 7.4908 117.1380 64.4539 37.2807 177.5247 100 C 4.4164 8.1712 119.5265 59.7518 39.2761 175.5596 101 F 4.3417 8.3903 119.5476 60.7624 38.2257 177.5634 102 A 4.2125 7.8838 119.3936 54.1125 18.2438 178.2588 103 G 3.8882 7.7778 103.8434 45.2642 0.0000 173.2539 104 A 4.6960 7.5153 123.4591 49.6095 20.5382 175.5910 105 P 4.3644 0.0000 0.0000 62.6421 32.0411 175.4781 106 Y 4.2115 8.5190 123.1452 55.8651 39.6185 174.5043 107 N 4.8373 8.5925 127.5319 51.8650 39.3808 175.1424 108 D 4.6051 8.9271 126.9297 57.6065 41.0939 178.5593 109 N 4.5067 8.1733 114.4625 55.0899 38.7258 175.3360 110 N 4.4307 8.0526 115.2505 52.8188 39.1407 174.1328 111 Y 4.3488 7.4034 120.4410 58.3168 39.8533 174.5580 112 N 4.0623 8.1383 123.9987 53.1149 37.7440 173.4196 113 I 3.9583 6.9754 110.1913 59.9725 39.5279 176.5547 114 D 4.4897 8.1671 120.0387 53.1740 40.5274 176.0933 115 L 3.8781 8.2271 127.2233 57.6051 41.5957 179.0698 116 K 3.9140 8.1030 117.6194 59.0418 32.2375 177.8456 117 A 4.3424 8.0009 119.2817 53.2929 19.4660 178.3037 118 R 4.5040 8.0284 113.4560 55.8811 31.6253 175.6915 119 C 5.0001 8.0079 116.4425 56.5390 41.1333 174.0456 120 Q 4.1989 8.0750 123.3171 56.1202 28.5238 176.0597 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 1 N 8.28 4.72 0.00 2.98 3.10 0.00 0.00 6.11 6.94 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 2 I 7.89 3.59 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.86 0.00 0.00 3 Y 8.76 3.90 0.00 2.94 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 4 Q 8.49 3.81 0.00 1.84 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 5 F 8.24 4.32 0.00 3.18 3.13 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 6 K 7.94 3.36 0.00 1.17 1.35 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.57 0.21 7.81 7 N 7.56 4.36 0.00 2.77 2.84 0.00 0.00 7.05 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 8 M 8.06 4.08 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 9 I 7.47 3.55 1.86 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.04 0.82 0.00 0.00 10 Q 7.81 4.21 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 11 C 8.09 4.43 0.00 3.15 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 12 T 7.89 4.13 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 1.25 0.00 0.00 13 V 8.04 4.48 2.26 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 1.18 0.00 0.00 0.96 0.00 0.00 14 P 0.00 4.40 0.00 2.10 2.12 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 15 S 7.57 4.25 0.00 4.05 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 *17 R 7.53 4.23 0.00 1.92 1.82 0.00 3.04 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.53 0.00 18 S 8.18 4.44 0.00 3.84 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 19 W 9.12 4.59 0.00 3.66 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 20 W 7.39 3.21 0.00 2.97 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 21 D 7.88 4.28 0.00 2.06 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 0.00 0.00 0.00 22 F 8.01 4.72 0.00 3.12 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 23 A 8.20 4.45 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 24 D 7.78 5.13 0.00 2.64 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 0.00 0.00 0.00 0.00 25 Y 8.65 4.65 0.00 3.06 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 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 27 C 9.60 4.40 0.00 3.05 2.99 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 28 Y 8.65 4.42 0.00 3.26 3.05 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 29 C 8.38 4.72 0.00 3.47 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 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 31 R 8.45 3.90 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 G 9.37 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 33 G 8.10 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 0.00 0.00 0.00 0.00 34 S 7.28 4.42 0.00 3.90 3.76 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 35 G 8.71 3.82 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 0.00 0.00 0.00 36 T 8.04 4.38 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 1.25 0.00 0.00 37 P 0.00 4.65 0.00 2.07 2.04 0.00 3.73 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 1.99 2.00 0.00 38 V 8.96 3.78 2.24 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 0.79 0.00 0.00 0.88 0.00 0.00 39 D 7.51 4.63 0.00 2.96 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 40 D 8.91 4.37 0.00 2.75 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 41 L 8.01 3.99 0.00 1.66 1.72 0.64 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.77 4.56 0.00 3.20 2.89 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 43 R 8.10 3.88 0.00 2.14 1.95 0.00 3.21 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 44 C 8.15 4.32 0.00 3.56 3.45 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 45 C 8.29 4.44 0.00 3.31 3.45 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 46 Q 8.12 3.46 0.00 1.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 1.96 1.19 0.00 47 V 7.71 3.47 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 48 H 8.19 3.90 0.00 3.19 3.35 0.00 5.65 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 49 D 8.36 4.25 0.00 3.08 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 50 N 8.31 4.34 0.00 2.83 2.85 0.00 0.00 6.74 8.43 0.00 0.00 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 C 8.45 4.26 0.00 3.08 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 52 Y 8.05 4.14 0.00 3.09 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 53 N 8.00 4.58 0.00 2.93 2.92 0.00 0.00 7.09 7.73 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 54 Q 8.13 4.12 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 55 A 8.10 4.04 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 56 Q 7.82 4.43 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.60 2.24 0.00 57 E 7.87 4.19 0.00 2.13 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 2.35 2.54 0.00 58 I 7.32 3.95 1.98 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 1.29 0.63 0.90 0.00 0.00 59 T 8.55 3.94 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 60 G 8.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.11 4.53 0.00 3.03 3.13 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 62 R 8.20 4.55 0.00 2.02 2.08 0.00 3.18 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 63 P 0.00 3.88 0.00 1.13 0.58 0.00 3.49 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 64 K 7.85 4.00 0.00 1.16 0.74 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.23 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.18 1.32 7.81 65 W 7.22 4.55 0.00 3.47 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 66 K 8.14 4.05 0.00 1.80 1.74 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.52 7.81 67 T 8.48 4.20 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 1.19 0.00 0.00 68 Y 7.68 4.85 0.00 3.14 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 69 T 9.63 4.93 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 1.26 0.00 0.00 70 Y 8.53 5.40 0.00 3.14 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 71 E 9.45 4.37 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 72 C 8.68 5.43 0.00 3.07 2.95 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 73 S 8.83 4.67 0.00 4.01 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 74 Q 9.70 3.51 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 75 G 8.35 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 76 T 7.87 4.50 4.37 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 1.21 0.00 0.00 77 L 8.52 5.13 0.00 1.65 1.57 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.00 4.74 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 1.22 0.00 0.00 79 C 8.73 4.99 0.00 2.80 2.96 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 80 K 8.99 4.36 0.00 1.77 1.75 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.43 7.81 81 G 8.72 3.71 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 0.00 0.00 0.00 82 R 7.77 4.30 0.00 1.95 2.06 0.00 3.07 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 83 N 7.47 4.56 0.00 2.85 2.91 0.00 0.00 6.95 7.88 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 84 N 8.51 4.71 0.00 3.00 2.99 0.00 0.00 6.11 7.60 0.00 0.00 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 A 8.48 3.96 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 86 C 8.21 4.11 0.00 3.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 8.97 4.03 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 88 A 8.47 3.89 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 89 T 7.84 3.73 4.41 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 1.18 0.00 0.00 90 V 7.77 3.50 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 0.80 0.00 0.00 91 C 8.14 2.87 0.00 2.29 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 92 D 7.87 4.07 0.00 2.97 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.08 4.15 0.00 3.23 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 94 D 7.93 3.79 0.00 2.61 2.67 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 95 R 7.99 3.77 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 96 L 7.96 3.91 0.00 1.63 1.62 0.86 0.54 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 97 A 7.77 3.64 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 98 A 7.93 3.47 1.28 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 0.00 0.00 99 I 7.49 3.63 1.94 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 1.37 0.64 0.89 0.00 0.00 100 C 8.17 4.42 0.00 3.10 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 0.00 101 F 8.39 4.34 0.00 2.89 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 0.00 102 A 7.88 4.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.78 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 0.00 104 A 7.52 4.70 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 0.00 105 P 0.00 4.36 0.00 2.10 2.05 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 106 Y 8.52 4.21 0.00 2.84 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 0.00 107 N 8.59 4.84 0.00 2.90 2.73 0.00 0.00 6.79 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.93 4.61 0.00 2.81 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 0.00 109 N 8.17 4.51 0.00 2.81 2.84 0.00 0.00 6.95 7.73 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 0.00 110 N 8.05 4.43 0.00 2.09 1.92 0.00 0.00 6.49 7.22 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 0.00 111 Y 7.40 4.35 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.14 4.06 0.00 1.87 2.45 0.00 0.00 7.17 7.86 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 0.00 113 I 6.98 3.96 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.75 0.00 0.00 114 D 8.17 4.49 0.00 2.72 2.57 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 0.00 115 L 8.23 3.88 0.00 1.67 1.64 0.86 0.47 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 0.00 116 K 8.10 3.91 0.00 1.72 1.93 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.49 7.81 117 A 8.00 4.34 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 0.00 118 R 8.03 4.50 0.00 1.83 1.90 0.00 3.06 0.00 0.00 3.19 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 119 C 8.01 5.00 0.00 3.04 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 0.00 120 Q 8.07 4.20 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.