NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5913 8.3049 118.1966 55.1891 33.6648 173.7297 2 K 4.1868 8.2306 116.1264 56.2426 33.4081 176.9870 3 K 4.5926 8.9730 122.8401 55.2015 35.9636 174.2199 4 V 4.5368 7.6690 120.8461 60.0287 34.1513 176.4370 5 V 4.2963 8.4351 116.6454 61.8561 30.7414 171.6815 6 A 3.6567 7.7055 130.0551 54.1132 16.0126 178.4291 7 V 4.0783 7.6567 112.1854 63.1190 33.1840 178.2874 8 V 4.3915 8.7345 115.9417 60.4353 34.3401 174.1756 9 K 4.3449 8.4721 124.7150 56.1140 34.0328 176.5550 10 L 4.5401 7.6197 119.8243 55.4227 43.0985 173.0028 11 Q 4.7373 8.4818 118.8867 55.5224 30.3487 174.7331 12 L 4.8184 8.1827 118.6438 52.5327 46.3184 174.5841 13 P 5.6886 0.0000 0.0000 61.6376 33.7749 176.0533 14 A 4.5707 8.7375 124.4894 51.6368 17.7327 181.0507 15 G 3.9678 8.7521 105.1268 49.7681 0.0000 173.5588 16 K 3.7851 7.3559 118.8020 56.8123 32.3528 175.8666 17 A 4.2522 8.0510 126.2018 51.7997 21.3553 174.1570 18 T 3.5724 9.0693 122.7481 61.4220 65.1116 170.8013 19 P 4.1290 0.0000 0.0000 62.9350 31.3689 176.3370 20 A 3.9292 8.9087 126.1484 54.9619 18.0940 176.3623 21 P 4.2296 0.0000 0.0000 65.8651 31.2227 175.9540 22 P 4.3653 0.0000 0.0000 64.5581 33.6281 178.5831 23 V 3.8047 8.5272 109.9162 61.2760 31.9152 180.6025 24 G 3.9112 9.5244 119.0099 46.5387 0.0000 175.3000 25 P 4.2329 0.0000 0.0000 64.6605 31.5641 177.6225 26 A 4.0394 8.4688 122.2014 54.7222 18.3835 178.1071 27 L 4.6328 8.0041 111.9982 55.1680 42.3960 178.6208 28 G 3.6321 7.9806 107.5591 48.0400 0.0000 174.9994 29 Q 4.1388 7.8575 118.5819 59.1791 28.7686 176.3777 30 H 4.4039 7.8246 113.3810 56.1107 28.9681 174.8833 31 G 3.7259 8.1890 109.2546 46.4848 0.0000 172.8371 32 A 4.6440 7.8825 126.3399 51.4480 21.9719 174.4617 33 N 4.9164 8.6481 116.0889 52.1313 39.8649 175.7884 34 I 4.0393 8.2507 123.4146 62.7853 37.7958 177.3495 35 M 4.0638 7.6469 121.0412 58.1225 32.5657 177.0866 36 E 4.3784 8.1815 115.9008 57.2664 30.0570 176.8639 37 F 4.5755 8.4971 119.4913 59.1491 41.7321 177.0770 38 V 3.3730 7.7669 119.8212 64.3129 31.0053 177.7552 39 K 4.2424 7.7837 117.2203 58.2528 32.7429 178.3690 40 A 4.1416 8.0959 119.0533 55.0676 18.2584 179.1822 41 F 4.4215 8.0622 119.1692 61.4195 39.4247 177.9485 42 N 4.4571 7.8222 112.9748 53.6482 37.9945 176.3787 43 A 4.4097 8.1456 123.8668 52.2233 20.5010 177.9929 44 A 4.5723 7.5830 117.7714 52.1715 21.6105 178.3500 45 T 3.7531 7.4807 112.4853 66.2728 68.3615 176.7257 46 A 4.0200 7.6877 121.1906 54.4311 18.4912 178.8379 47 N 4.4000 7.7567 115.0678 56.8211 39.3887 176.6230 48 M 4.2961 7.6957 116.6096 56.8332 32.1116 176.0833 49 G 4.0020 7.6823 110.9788 44.7795 0.0000 174.6359 50 D 4.7029 8.3359 116.1628 52.8266 41.5921 174.9354 51 A 4.3010 7.8908 121.6105 52.5059 22.4135 179.5185 52 I 4.5889 8.6288 130.6381 59.7392 41.0698 173.1389 53 V 4.3215 8.8956 124.5010 58.8449 32.5293 173.8985 54 P 4.6197 0.0000 0.0000 63.2143 31.8218 175.4329 55 V 5.2702 8.7911 126.3990 59.3497 33.4497 174.6216 56 E 4.4445 8.7739 124.8824 55.0786 31.4870 174.8609 57 I 4.6105 8.0512 126.0072 59.8661 39.4925 175.5302 58 T 4.6676 8.3862 122.7059 62.5131 70.9325 173.5795 59 I 4.8565 7.2410 121.8635 58.8306 41.6824 174.1604 60 Y 5.0066 7.8078 120.5158 56.0784 42.0606 176.1651 61 A 4.1575 8.9034 122.0322 55.7288 18.6050 178.1504 62 D 4.6578 8.2368 115.6936 55.9973 40.7432 176.6486 63 R 4.1728 7.2835 110.4842 55.8435 29.2210 175.9913 64 S 4.3525 7.5561 114.7964 59.1128 64.8212 171.7493 65 F 5.1527 7.5237 114.2621 57.4190 39.6272 174.4414 66 T 4.9868 8.4083 112.3793 60.7029 66.4777 173.7610 67 F 4.7035 9.2191 116.8485 57.0658 37.6864 175.0876 68 V 3.8817 8.5361 126.7523 63.2479 32.4914 174.7821 69 T 4.8640 8.4746 124.4350 62.6842 70.2735 173.8856 70 K 4.8543 8.1220 121.9706 54.8021 36.7104 176.0307 71 T 4.1433 8.7022 111.4647 60.6402 69.3219 172.8758 72 P 4.7936 0.0000 0.0000 61.5648 31.8460 174.1337 73 P 4.1177 0.0000 0.0000 63.1186 31.5448 177.1227 74 A 4.1150 8.8032 124.9423 54.3133 18.4265 178.6642 75 S 4.2129 7.9190 108.9718 59.6769 63.3251 174.8943 76 Y 4.4875 8.7678 121.3643 60.8005 38.5838 177.1122 77 L 3.8355 8.0235 119.2730 57.7473 41.4200 179.1680 78 I 3.8250 7.0954 117.6592 64.2983 38.1674 176.9652 79 R 3.9444 8.1354 120.1641 57.5336 29.5298 178.2781 80 K 3.3267 7.8999 120.4984 60.3934 32.3862 178.5693 81 A 4.1207 7.2838 120.1740 53.9056 18.3022 177.4927 82 A 4.4232 8.2143 117.6002 50.6872 21.2782 175.3534 83 G 3.6697 7.7787 103.6645 46.1688 0.0000 173.9937 84 L 4.7003 7.3097 116.1871 52.8038 44.5981 176.7716 85 E 4.0373 8.4513 124.9035 58.6692 30.2758 179.7828 86 K 4.4308 7.5091 122.3045 55.7499 34.0864 175.3288 87 G 3.6743 7.9312 107.0747 45.6368 0.0000 173.4422 88 A 4.6954 8.1023 133.0076 50.8527 21.3541 176.6913 89 H 4.0325 8.3966 114.4407 54.7759 26.8403 175.3898 90 K 4.4254 8.1991 132.7943 54.9256 33.4399 176.0615 91 P 4.4487 0.0000 0.0000 63.2702 32.3002 177.9551 92 G 4.0673 9.1704 107.6314 47.2873 0.0000 173.3150 93 R 4.5503 7.8887 116.3896 56.7210 36.3425 174.1797 94 E 4.4600 8.1333 119.7803 54.6286 30.1437 174.9596 95 K 5.1068 8.2115 128.0099 53.4930 30.9204 176.3696 96 V 3.6456 7.9553 122.0931 65.1228 32.0626 175.5474 97 G 4.4571 7.6906 104.2990 44.9545 0.0000 170.9550 98 R 5.2648 8.3256 114.9550 54.7833 32.7306 174.2406 99 I 5.0299 8.4968 119.3575 59.8460 41.8348 174.9281 100 T 4.9151 8.9656 114.6102 60.2367 70.2787 175.8863 101 W 4.4612 8.9358 123.3401 59.3556 28.9595 178.1968 102 E 4.3328 8.1028 116.6618 58.7564 30.0354 177.9795 103 Q 5.0214 8.2324 120.9757 57.9592 28.6976 179.7296 104 V 3.7367 8.0101 120.2243 64.6191 31.3981 178.2222 105 L 3.9364 7.1477 120.5372 58.0697 42.0999 178.1172 106 E 3.9826 8.5952 118.6271 59.7535 29.3243 179.1165 107 I 3.6408 7.6347 117.4329 64.8208 37.5319 178.0068 108 A 3.9733 8.0709 121.1166 55.5947 17.8415 179.9125 109 K 3.9691 8.0508 115.9984 59.5843 32.1997 179.1577 110 Q 4.1445 8.2784 119.1134 57.8322 29.2509 177.0598 111 K 4.5512 7.7635 117.0302 56.0217 33.2142 177.3566 112 M 4.0960 7.9114 117.1081 57.0807 31.1684 175.5937 113 P 4.4962 0.0000 0.0000 63.8416 32.1871 176.2923 114 D 4.7830 7.9520 118.6832 56.0240 42.9210 179.0945 115 L 4.5520 7.4462 116.4943 53.4351 40.9797 177.1410 116 N 4.5701 8.3901 120.4015 54.0855 40.2125 175.1248 117 T 4.4666 8.0211 108.8216 59.8965 69.5453 172.9891 118 T 3.9886 8.6924 118.7024 65.2193 68.3813 174.6582 119 D 4.3827 7.9626 122.0126 54.2896 41.1934 177.3414 120 L 4.3877 8.4201 121.8788 55.9298 42.4406 178.1833 121 E 4.0760 7.8670 117.4003 59.0589 29.8510 177.8233 122 A 3.8865 7.4814 119.7454 55.1361 18.6000 179.2416 123 A 4.0212 7.6044 117.5723 55.4461 18.4969 179.4798 124 A 3.9933 7.6088 118.8326 55.6070 18.2565 179.9068 125 R 3.8207 7.9102 116.6147 59.5395 29.9263 179.3959 126 M 4.3471 7.3750 110.1431 56.0939 31.0994 176.1864 127 I 4.2643 8.0988 120.7760 63.2436 39.1876 177.8902 128 A 4.0882 8.3338 122.3109 54.9527 18.0099 179.8425 129 G 3.5986 7.9699 103.9865 47.6779 0.0000 175.7443 130 S 4.8573 8.4064 117.7881 59.7176 62.7369 176.5499 131 A 4.0910 7.5220 123.6805 55.1724 18.2837 179.5938 132 R 4.0977 7.5786 113.1673 58.1045 30.4188 178.3007 133 S 4.6364 7.6985 113.8881 59.3603 62.9395 175.7896 134 M 4.3931 8.4989 117.4535 55.4604 32.9978 175.0601 135 G 3.8684 8.6684 105.9641 46.1054 0.0000 175.2955 136 V 5.6702 7.3481 116.3675 58.7989 32.2971 175.9612 137 E 4.1036 8.5657 126.8817 57.9511 30.8249 176.7099 138 V 4.6226 8.2495 114.4038 60.3817 33.4833 175.9271 139 V 3.8464 10.2738 126.1694 63.3586 32.1702 175.3909 140 G 3.1656 8.2437 113.9884 46.0707 0.0000 171.6321 *141 A 4.2237 8.3505 122.1237 52.4306 18.9454 176.6879 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 M 8.30 4.59 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 2 K 8.23 4.19 0.00 1.81 1.56 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 8.97 4.59 0.00 1.73 1.73 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 4 V 7.67 4.54 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 0.86 0.00 0.00 0.94 0.00 0.00 5 V 8.44 4.30 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 0.82 0.00 0.00 1.04 0.00 0.00 6 A 7.71 3.66 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.66 4.08 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 0.72 0.00 0.00 0.91 0.00 0.00 8 V 8.73 4.39 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 0.38 0.00 0.00 0.80 0.00 0.00 9 K 8.47 4.34 0.00 1.75 1.80 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 10 L 7.62 4.54 0.00 1.89 1.74 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.48 4.74 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 12 L 8.18 4.82 0.00 1.54 1.26 0.13 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.69 0.00 2.07 1.95 0.00 3.33 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.79 0.00 14 A 8.74 4.57 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.75 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 16 K 7.36 3.79 0.00 1.80 1.77 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.39 7.81 17 A 8.05 4.25 1.08 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 0.00 0.00 18 T 9.07 3.57 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 19 P 0.00 4.13 0.00 2.22 2.18 0.00 3.60 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 2.03 1.96 0.00 20 A 8.91 3.93 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 21 P 0.00 4.23 0.00 2.03 2.09 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 22 P 0.00 4.37 0.00 1.98 1.99 0.00 3.84 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 1.99 2.07 0.00 23 V 8.53 3.80 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 0.80 0.00 0.00 0.90 0.00 0.00 24 G 9.52 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 25 P 0.00 4.23 0.00 2.17 2.48 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 26 A 8.47 4.04 1.29 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 0.00 0.00 27 L 8.00 4.63 0.00 1.57 1.59 0.29 0.72 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 28 G 7.98 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 0.00 0.00 0.00 29 Q 7.86 4.14 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.57 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 30 H 7.82 4.40 0.00 3.17 3.29 0.00 6.00 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 31 G 8.19 3.73 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 0.00 0.00 0.00 32 A 7.88 4.64 1.26 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 0.00 0.00 33 N 8.65 4.92 0.00 2.89 2.92 0.00 0.00 6.85 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 34 I 8.25 4.04 1.88 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 0.82 0.91 0.00 0.00 35 M 7.65 4.06 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 36 E 8.18 4.38 0.00 2.11 2.22 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 2.84 2.49 0.00 37 F 8.50 4.58 0.00 2.51 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 38 V 7.77 3.37 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 0.89 0.00 0.00 0.91 0.00 0.00 39 K 7.78 4.24 0.00 1.83 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.47 7.81 40 A 8.10 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.06 4.42 0.00 2.17 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.82 4.46 0.00 2.72 2.75 0.00 0.00 6.89 8.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.15 4.41 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 4.57 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 45 T 7.48 3.75 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 1.14 0.00 0.00 46 A 7.69 4.02 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 47 N 7.76 4.40 0.00 2.68 2.94 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.70 4.30 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.74 0.00 49 G 7.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.70 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.89 4.30 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 52 I 8.63 4.59 1.49 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.03 0.28 0.00 0.00 53 V 8.90 4.32 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 0.85 0.00 0.00 1.17 0.00 0.00 54 P 0.00 4.62 0.00 2.14 2.27 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 55 V 8.79 5.27 2.40 0.00 0.00 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 1.34 0.00 0.00 56 E 8.77 4.44 0.00 2.06 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 0.00 2.33 2.35 0.00 57 I 8.05 4.61 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.39 0.63 0.00 0.00 58 T 8.39 4.67 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 1.06 0.00 0.00 59 I 7.24 4.86 1.89 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 1.11 1.38 0.89 0.00 0.00 60 Y 7.81 5.01 0.00 2.88 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 61 A 8.90 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.66 0.00 2.75 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 63 R 7.28 4.17 0.00 2.11 2.16 0.00 3.11 0.00 0.00 3.05 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 64 S 7.56 4.35 0.00 4.02 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 0.00 65 F 7.52 5.15 0.00 2.89 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 66 T 8.41 4.99 4.46 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 1.36 0.00 0.00 67 F 9.22 4.70 0.00 3.31 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 68 V 8.54 3.88 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 0.93 0.00 0.00 1.00 0.00 0.00 69 T 8.47 4.86 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 70 K 8.12 4.85 0.00 1.78 1.77 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 71 T 8.70 4.14 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 72 P 0.00 4.79 0.00 2.36 2.27 0.00 3.47 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 73 P 0.00 4.12 0.00 2.25 2.09 0.00 3.61 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 2.13 2.14 0.00 74 A 8.80 4.12 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.92 4.21 0.00 3.88 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 76 Y 8.77 4.49 0.00 3.00 3.07 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 77 L 8.02 3.84 0.00 1.72 1.70 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.10 3.83 1.96 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 1.52 0.74 0.96 0.00 0.00 79 R 8.14 3.94 0.00 2.00 1.96 0.00 3.51 0.00 0.00 3.29 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.05 0.00 80 K 7.90 3.33 0.00 1.82 1.86 0.00 1.24 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.04 1.29 7.81 81 A 7.28 4.12 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 82 A 8.21 4.42 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 83 G 7.78 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 84 L 7.31 4.70 0.00 1.59 1.55 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.45 4.04 0.00 1.97 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 2.33 2.34 0.00 86 K 7.51 4.43 0.00 1.75 1.82 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.40 7.81 87 G 7.93 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 88 A 8.10 4.70 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.40 4.03 0.00 3.32 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.20 4.43 0.00 1.86 1.87 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.45 7.81 91 P 0.00 4.45 0.00 2.21 2.14 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 92 G 9.17 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 93 R 7.89 4.55 0.00 1.69 1.89 0.00 3.41 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 94 E 8.13 4.46 0.00 2.03 1.81 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 2.29 2.30 0.00 95 K 8.21 5.11 0.00 1.76 1.95 0.00 1.91 0.00 0.00 2.37 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.44 7.81 96 V 7.96 3.65 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 0.75 0.00 0.00 0.95 0.00 0.00 97 G 7.69 4.46 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 0.00 0.00 0.00 98 R 8.33 5.26 0.00 2.01 1.87 0.00 2.99 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 99 I 8.50 5.03 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.23 0.99 0.00 0.00 100 T 8.97 4.92 4.43 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 0.00 0.00 0.00 1.26 0.00 0.00 101 W 8.94 4.46 0.00 3.35 3.33 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 0.00 102 E 8.10 4.33 0.00 2.23 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 0.00 2.34 2.41 0.00 103 Q 8.23 5.02 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 104 V 8.01 3.74 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 0.88 0.00 0.00 0.93 0.00 0.00 105 L 7.15 3.94 0.00 2.02 1.96 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.60 3.98 0.00 2.09 1.96 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 2.35 2.60 0.00 107 I 7.63 3.64 2.02 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 1.44 0.87 0.92 0.00 0.00 108 A 8.07 3.97 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 0.00 109 K 8.05 3.97 0.00 1.81 1.89 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.84 7.81 110 Q 8.28 4.14 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 111 K 7.76 4.55 0.00 1.81 1.78 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 112 M 7.91 4.10 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 113 P 0.00 4.50 0.00 2.20 2.21 0.00 3.76 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 1.98 1.99 0.00 114 D 7.95 4.78 0.00 2.87 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 0.00 115 L 7.45 4.55 0.00 1.63 0.97 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.39 4.57 0.00 2.63 2.72 0.00 0.00 6.60 7.70 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 0.00 117 T 8.02 4.47 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 0.00 118 T 8.69 3.99 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 0.00 119 D 7.96 4.38 0.00 2.71 3.20 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 0.00 120 L 8.42 4.39 0.00 1.70 1.62 0.92 0.96 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 0.00 121 E 7.87 4.08 0.00 2.03 1.89 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 2.32 2.40 0.00 122 A 7.48 3.89 1.26 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 0.00 0.00 123 A 7.60 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.61 3.99 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 0.00 125 R 7.91 3.82 0.00 2.04 1.92 0.00 3.08 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 126 M 7.37 4.35 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00 127 I 8.10 4.26 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 0.90 0.00 0.00 128 A 8.33 4.09 1.25 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 0.00 0.00 0.00 129 G 7.97 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.41 4.86 0.00 4.08 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 0.00 131 A 7.52 4.09 1.46 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 0.00 0.00 132 R 7.58 4.10 0.00 1.94 2.01 0.00 3.33 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 133 S 7.70 4.64 0.00 4.10 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 0.00 134 M 8.50 4.39 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 135 G 8.67 3.87 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 0.00 0.00 0.00 136 V 7.35 5.67 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 0.57 0.00 0.00 0.96 0.00 0.00 137 E 8.57 4.10 0.00 2.09 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 0.00 2.39 2.40 0.00 138 V 8.25 4.62 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 0.74 0.00 0.00 1.07 0.00 0.00 139 V 10.27 3.85 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 0.87 0.00 0.00 0.97 0.00 0.00 140 G 8.24 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 0.00 0.00 0.00 *141 A 8.35 4.22 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.