NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3861 0.0000 0.0000 62.7934 33.7529 177.8629 9 S 4.3232 7.8539 113.3850 56.9468 60.0473 172.2808 10 D 5.2052 7.8196 116.5477 52.0842 41.2099 177.0565 11 M 4.1665 7.7956 117.9623 54.4178 32.2729 174.1949 12 P 4.6662 0.0000 0.0000 62.7066 32.6051 175.4849 13 V 5.0742 8.8019 122.4640 60.6859 35.4771 173.4688 14 A 4.8832 8.9085 123.2354 51.2054 23.1810 175.0024 15 H 4.9794 9.4807 122.3163 54.8445 32.6567 172.3988 16 V 4.8545 8.7898 119.3313 59.5795 35.1282 175.2677 17 V 5.4026 8.4563 114.3423 59.3822 35.9918 174.8272 18 A 4.2823 8.5935 123.4251 51.6210 18.9621 177.0908 19 N 4.3836 8.3495 120.1143 52.3155 39.5421 174.5267 20 P 3.4305 0.0000 0.0000 65.4130 31.6208 177.7614 21 Q 3.9030 7.9508 115.0316 57.2975 28.6724 176.4830 22 A 4.2309 6.8411 120.6613 50.1490 17.4491 176.2199 23 E 4.1290 8.5272 119.5821 58.1425 30.3767 177.8175 24 G 4.1032 9.0031 112.0092 45.8601 0.0000 173.0364 25 Q 4.4891 7.9018 114.6775 54.2966 32.9483 175.5243 26 L 4.0050 8.1892 124.9037 53.2818 41.0238 173.5718 27 Q 4.6300 7.5156 120.8499 53.2312 30.8657 175.2925 28 W 5.0556 8.7038 124.9208 56.7511 30.1557 175.7843 29 K 4.6134 9.5237 123.9296 54.5520 35.6559 175.5234 30 N 4.8428 8.5291 124.8761 51.9674 37.3870 173.4694 31 A 4.6360 7.6517 122.1224 50.6583 23.0464 175.5758 32 G 3.9521 8.7687 105.1787 44.5098 0.0000 174.1962 33 A 4.1787 8.3979 121.4267 54.2795 18.9635 177.9221 34 N 5.0055 7.9036 111.2524 51.3358 38.9086 173.0209 35 A 5.1488 7.7779 120.0112 49.9271 23.0612 176.1650 36 L 4.7466 9.2693 119.4822 53.0640 45.8773 176.0494 37 L 4.7576 8.5601 124.3428 53.5712 43.3525 174.4114 38 A 4.6940 9.1674 126.3861 49.5944 23.5517 174.7322 39 N 4.0823 9.8485 112.8298 55.0490 36.3324 175.8332 40 G 4.1524 8.6339 108.0849 46.0661 0.0000 175.5493 41 V 3.9485 7.6507 118.7317 63.0558 32.2135 175.3573 42 E 4.7672 8.7098 125.9066 54.4332 33.5106 174.9436 43 L 5.0746 8.5031 124.0837 53.6915 43.3742 175.6600 44 R 4.5898 9.1330 125.9019 55.6443 33.3528 175.8796 45 D 4.4510 9.7191 122.0537 55.6046 38.5049 173.5714 46 N 4.4701 8.5648 111.3376 54.2944 37.8899 172.8139 47 Q 5.0143 8.3113 114.7792 53.7515 33.3134 174.2496 48 L 4.7722 8.6314 122.5964 54.0567 43.2484 175.7858 49 V 4.5407 8.7884 124.7680 61.3475 33.5299 174.7326 50 V 4.0573 8.6937 129.2904 61.7222 31.9447 174.8736 51 P 4.2170 0.0000 0.0000 64.0869 32.0709 175.9174 52 S 4.6977 7.3683 112.7838 56.6018 66.0090 173.1818 53 E 4.4759 8.8080 122.9134 54.7549 30.4186 176.9716 54 G 3.8880 7.8209 111.8007 45.9810 0.0000 169.9168 55 L 4.9481 7.7843 119.7948 54.1597 43.0731 175.5956 56 Y 4.9791 9.2188 122.3460 55.9901 41.1680 174.7285 57 L 4.8462 9.0139 126.3134 54.7981 43.6085 175.5472 58 I 5.2849 9.0058 126.7439 60.0231 41.1939 173.9679 59 Y 5.3313 8.1531 121.9281 56.6913 41.9179 173.1626 60 S 4.6694 8.5982 112.6286 57.6993 66.6939 173.6191 61 Q 5.2983 8.2755 125.1946 53.5005 32.6503 173.9884 62 V 4.5751 8.1285 117.8079 59.3161 36.0227 174.0588 63 L 4.8721 7.7716 123.8237 53.6561 43.7601 174.9731 64 F 5.2179 9.0070 126.0561 56.5333 40.7629 175.1423 65 S 3.9998 8.5648 117.3999 55.8014 65.7379 172.9881 66 G 3.3477 5.7448 108.4699 45.5786 0.0000 174.5352 67 Q 3.9542 8.8071 120.9279 57.8938 29.4091 175.9312 68 G 4.2899 7.7111 103.9685 44.4526 0.0000 172.5624 69 C 4.8997 8.5459 115.3223 54.1467 40.3225 172.2117 70 P 4.3322 0.0000 0.0000 65.4221 31.6147 177.4873 71 S 4.4754 7.8820 115.2610 56.3019 63.3046 174.7675 72 T 3.9631 8.3219 116.7382 65.1816 68.3949 173.7143 73 H 4.6426 7.5430 117.8692 54.7513 33.2323 172.5353 74 V 4.4640 7.7910 125.4050 61.0437 34.7061 174.0607 75 L 4.5849 8.4633 126.3880 52.8931 44.0230 175.5275 76 L 4.6523 8.3482 124.4835 53.2610 43.0048 175.8042 77 T 5.1658 9.0841 113.8039 60.1513 72.4676 172.4704 78 H 5.5368 9.3370 122.4633 55.0493 33.3677 172.1846 79 T 5.0891 9.0097 121.2100 61.8215 73.1549 172.8914 80 I 5.2072 9.0538 126.4538 58.8840 39.6002 174.9258 81 S 5.1024 8.5184 121.3079 56.3563 66.7601 172.6498 82 R 4.8808 8.9903 121.0411 54.5706 32.9818 174.2591 83 I 4.8077 8.8193 126.9352 59.3033 39.6157 175.4905 84 A 4.7750 8.5010 129.5672 51.0149 19.3115 177.9873 85 V 3.5775 8.6874 120.6027 66.0763 31.4249 177.4955 86 S 4.5005 8.1544 109.8689 58.4558 63.4189 174.0346 87 Y 4.5084 7.5796 120.4689 56.3684 37.2818 175.6992 88 Q 4.2829 8.0031 123.6182 54.5873 26.8745 175.7737 89 T 4.2708 7.3169 114.1451 61.5217 69.4346 171.2659 90 P 4.7198 0.0000 0.0000 62.6484 32.6755 176.3548 91 V 4.3560 8.7479 121.8168 60.8931 34.6643 174.4853 92 N 4.5679 8.9924 125.5435 54.2856 38.3789 174.2657 93 L 4.2383 8.8818 123.4313 55.4781 43.7601 177.0978 94 L 4.9662 7.5052 117.1247 53.0021 45.7382 175.7640 95 S 5.1447 8.5602 115.9921 57.1001 65.5419 172.8188 96 A 4.9057 9.1420 127.1755 50.4972 22.9163 174.8306 97 I 5.0704 8.3340 119.3459 59.6421 41.3007 175.2851 98 R 4.6457 8.9107 124.3338 54.4037 33.4749 174.4702 99 S 4.8196 8.5376 119.0475 56.3941 63.7195 173.1930 100 P 3.8106 0.0000 0.0000 64.1684 31.3809 175.3620 101 C 4.6212 7.0133 112.8131 54.6330 44.3770 173.4257 102 Q 4.1194 8.5184 122.0440 56.0565 28.9701 175.0333 *111 A 4.0466 7.7303 118.4355 51.5889 18.5487 176.3270 112 N 4.3976 8.5967 119.7910 54.0644 39.6269 173.0998 113 P 4.5916 0.0000 0.0000 62.4281 32.1936 175.5929 114 W 5.0304 8.3236 120.1503 55.2725 31.3603 174.2774 115 Y 5.1747 8.6788 116.9700 56.9000 41.7605 175.2019 116 E 4.8711 10.1577 123.0934 54.0488 32.4492 172.7274 117 P 5.0631 0.0000 0.0000 62.5916 33.1117 176.1452 118 I 4.6704 8.7644 122.2362 60.0615 40.7324 173.4146 119 Y 4.9846 8.8853 128.6628 55.9555 40.4325 174.5330 120 L 4.9203 8.4836 126.3708 53.0288 45.0787 175.8660 121 G 4.6023 8.5915 108.1929 45.6558 0.0000 172.4356 122 G 4.1887 9.1298 110.4629 45.7093 0.0000 172.0229 123 V 4.8581 7.9484 120.3549 61.1540 32.8397 174.9615 124 F 5.0234 9.2535 126.2396 55.5006 43.4845 174.0784 125 Q 4.7221 9.0582 123.6504 56.2179 29.3274 174.9188 126 L 4.9369 9.3028 127.0739 53.0310 45.3864 175.5522 127 E 5.1732 8.8998 120.5582 53.4965 32.9860 174.0105 128 P 4.5495 0.0000 0.0000 64.5903 31.5202 176.6965 129 G 4.0229 9.4120 113.1106 44.6516 0.0000 173.2734 130 D 4.6955 8.0305 120.6832 54.6572 42.1844 175.4940 131 R 4.8963 9.1957 121.9016 54.4920 32.9102 175.0424 132 L 5.3688 8.8194 123.3396 52.9027 45.0565 175.5919 133 S 5.0693 8.6666 116.6893 56.4113 66.3845 172.8649 134 A 4.4369 8.3620 124.2702 50.5187 20.0246 175.4216 135 E 4.9714 9.1409 121.5813 55.2689 33.3067 175.4691 136 I 5.3977 8.3566 113.6452 58.3372 40.5986 174.6616 137 N 4.5748 8.4352 119.2013 53.9136 38.4806 175.8500 138 R 4.7148 7.8033 118.3668 53.6121 30.3186 174.2055 139 P 4.4078 0.0000 0.0000 65.0266 32.0893 178.5779 140 D 4.6314 7.9893 116.4397 54.2504 39.3174 175.7826 141 Y 5.0148 8.0040 116.1745 57.4041 40.3027 175.3264 142 L 4.1175 7.6555 121.5710 55.7224 42.9477 176.5023 143 D 4.3686 8.5540 124.3052 51.9449 42.0329 174.4085 144 F 4.7775 6.9403 118.3715 56.2401 38.3109 178.0267 145 A 4.2302 7.5592 123.8565 54.8719 18.4484 178.1493 146 S 4.7162 7.8663 109.3014 56.4628 65.7950 173.3605 147 T 4.0090 8.3513 121.6168 65.3656 68.5771 175.0149 148 G 4.1418 9.1435 113.7960 45.5623 0.0000 174.3296 149 Q 4.2770 7.9556 117.3175 57.5067 29.5047 175.3998 150 V 4.9412 7.9586 117.5737 61.2849 34.3402 174.0511 151 Y 5.6701 8.6754 125.4170 55.9954 42.4073 174.0559 152 F 4.9259 8.7256 122.2176 57.1592 42.8914 173.2368 153 G 4.1211 8.0319 112.0006 43.9921 0.0000 171.1353 154 I 5.2934 8.5280 113.8613 59.0999 41.6221 173.8846 155 I 5.0799 9.2942 123.8496 59.2193 41.4965 173.9364 156 A 3.4635 8.3514 131.6251 51.5420 18.8539 177.3470 157 L 4.2126 8.9717 122.9627 54.7523 41.5174 176.7149 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 8 P 0.00 4.39 0.00 2.05 2.17 0.00 3.64 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 2.11 0.00 9 S 7.85 4.32 0.00 3.93 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 10 D 7.82 5.21 0.00 2.74 2.74 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 0.00 0.00 0.00 11 M 7.80 4.17 0.00 2.10 2.05 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 2.54 2.49 0.00 12 P 0.00 4.67 0.00 2.22 2.15 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 13 V 8.80 5.07 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 0.80 0.00 0.00 1.04 0.00 0.00 14 A 8.91 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.48 4.98 0.00 3.28 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.79 4.85 2.33 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 0.76 0.00 0.00 0.72 0.00 0.00 17 V 8.46 5.40 2.37 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 0.88 0.00 0.00 1.05 0.00 0.00 18 A 8.59 4.28 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 19 N 8.35 4.38 0.00 2.75 2.59 0.00 0.00 7.17 7.31 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 20 P 0.00 3.43 0.00 2.00 2.09 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 21 Q 7.95 3.90 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 22 A 6.84 4.23 1.17 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 23 E 8.53 4.13 0.00 2.14 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 2.28 2.26 0.00 24 G 9.00 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 25 Q 7.90 4.49 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.18 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 26 L 8.19 4.01 0.00 1.39 1.39 -0.41 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.52 4.63 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.86 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 28 W 8.70 5.06 0.00 3.35 3.23 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 0.00 29 K 9.52 4.61 0.00 1.78 1.61 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 30 N 8.53 4.84 0.00 2.74 2.75 0.00 0.00 6.72 7.96 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 31 A 7.65 4.64 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 32 G 8.77 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 0.00 0.00 0.00 33 A 8.40 4.18 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 34 N 7.90 5.01 0.00 2.66 2.72 0.00 0.00 6.62 7.35 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 35 A 7.78 5.15 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 36 L 9.27 4.75 0.00 1.64 1.53 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.56 4.76 0.00 1.64 1.57 0.86 0.96 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 38 A 9.17 4.69 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 39 N 9.85 4.08 0.00 3.01 2.98 0.00 0.00 6.94 7.98 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 40 G 8.63 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 41 V 7.65 3.95 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 0.78 0.00 0.00 1.05 0.00 0.00 42 E 8.71 4.77 0.00 1.86 1.78 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 2.20 2.20 0.00 43 L 8.50 5.07 0.00 1.61 1.60 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.13 4.59 0.00 1.79 1.77 0.00 3.50 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 45 D 9.72 4.45 0.00 2.80 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 N 8.56 4.47 0.00 2.88 2.98 0.00 0.00 7.02 7.08 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 47 Q 8.31 5.01 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 48 L 8.63 4.77 0.00 1.42 1.36 -0.36 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.79 4.54 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 0.90 0.00 0.00 0.93 0.00 0.00 50 V 8.69 4.06 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 0.70 0.00 0.00 0.56 0.00 0.00 51 P 0.00 4.22 0.00 2.25 2.26 0.00 3.91 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 2.07 2.00 0.00 52 S 7.37 4.70 0.00 4.13 3.88 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 53 E 8.81 4.48 0.00 2.00 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 2.35 2.56 0.00 54 G 7.82 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 55 L 7.78 4.95 0.00 1.59 1.62 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.22 4.98 0.00 2.94 2.91 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 57 L 9.01 4.85 0.00 1.83 1.66 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.01 5.28 2.10 0.00 0.00 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 1.31 0.67 1.00 0.00 0.00 59 Y 8.15 5.33 0.00 3.15 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 60 S 8.60 4.67 0.00 3.69 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 61 Q 8.28 5.30 0.00 1.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 62 V 8.13 4.58 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.38 0.00 0.00 63 L 7.77 4.87 0.00 1.96 1.67 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.01 5.22 0.00 3.47 3.25 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 65 S 8.56 4.00 0.00 3.37 3.32 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 66 G 5.74 3.35 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 67 Q 8.81 3.95 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 68 G 7.71 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 0.00 0.00 0.00 69 C 8.55 4.90 0.00 2.91 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 70 P 0.00 4.33 0.00 2.24 2.26 0.00 3.87 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 2.12 2.18 0.00 71 S 7.88 4.48 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 72 T 8.32 3.96 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 73 H 7.54 4.64 0.00 3.09 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.79 4.46 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 0.85 0.00 0.00 0.96 0.00 0.00 75 L 8.46 4.58 0.00 1.47 1.47 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.35 4.65 0.00 1.05 0.27 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.08 5.17 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 1.21 0.00 0.00 78 H 9.34 5.54 0.00 3.36 3.22 0.00 5.54 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.01 5.09 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 1.23 0.00 0.00 80 I 9.05 5.21 1.77 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 0.57 1.39 0.85 0.00 0.00 81 S 8.52 5.10 0.00 3.88 3.88 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 82 R 8.99 4.88 0.00 1.65 1.67 0.00 3.13 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 83 I 8.82 4.81 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 1.16 0.49 1.01 0.00 0.00 84 A 8.50 4.78 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 85 V 8.69 3.58 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 0.87 0.00 0.00 1.02 0.00 0.00 86 S 8.15 4.50 0.00 3.71 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 87 Y 7.58 4.51 0.00 2.94 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 88 Q 8.00 4.28 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 89 T 7.32 4.27 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 90 P 0.00 4.72 0.00 1.96 1.95 0.00 3.68 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 2.02 2.08 0.00 91 V 8.75 4.36 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 0.91 0.00 0.00 0.89 0.00 0.00 92 N 8.99 4.57 0.00 2.59 2.71 0.00 0.00 7.03 7.85 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 93 L 8.88 4.24 0.00 0.95 0.25 0.53 0.56 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 94 L 7.51 4.97 0.00 1.53 1.55 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.56 5.14 0.00 3.81 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 96 A 9.14 4.91 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 97 I 8.33 5.07 1.87 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 1.34 0.72 0.92 0.00 0.00 98 R 8.91 4.65 0.00 1.62 1.63 0.00 3.34 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 99 S 8.54 4.82 0.00 3.76 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 0.00 100 P 0.00 3.81 0.00 0.49 0.95 0.00 3.65 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.11 0.00 101 C 7.01 4.62 0.00 3.09 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 0.00 102 Q 8.52 4.12 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 *111 A 7.73 4.05 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 0.00 112 N 8.60 4.40 0.00 2.71 2.79 0.00 0.00 7.26 7.69 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 0.00 113 P 0.00 4.59 0.00 1.94 1.68 0.00 3.74 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 2.06 2.04 0.00 114 W 8.32 5.03 0.00 3.30 3.09 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 0.00 0.00 0.00 115 Y 8.68 5.17 0.00 2.90 2.94 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 0.00 116 E 10.16 4.87 0.00 2.19 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 2.38 2.26 0.00 117 P 0.00 5.06 0.00 2.20 2.16 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 118 I 8.76 4.67 2.06 0.00 0.00 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 1.28 1.33 1.09 0.00 0.00 119 Y 8.89 4.98 0.00 3.07 2.92 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 0.00 120 L 8.48 4.92 0.00 1.58 1.43 0.95 0.49 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 0.00 121 G 8.59 4.60 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 0.00 122 G 9.13 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 0.00 0.00 0.00 0.00 123 V 7.95 4.86 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 0.86 0.00 0.00 0.92 0.00 0.00 124 F 9.25 5.02 0.00 3.11 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 0.00 125 Q 9.06 4.72 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 126 L 9.30 4.94 0.00 1.66 1.35 0.93 0.26 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 0.00 127 E 8.90 5.17 0.00 2.07 1.83 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 2.23 2.28 0.00 128 P 0.00 4.55 0.00 2.19 2.23 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 129 G 9.41 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 0.00 0.00 0.00 130 D 8.03 4.70 0.00 2.68 2.53 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 0.00 0.00 0.00 0.00 131 R 9.20 4.90 0.00 1.70 1.96 0.00 3.08 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 132 L 8.82 5.37 0.00 1.68 1.77 0.85 0.55 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 0.00 133 S 8.67 5.07 0.00 3.83 3.96 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 0.00 134 A 8.36 4.44 0.24 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 0.00 135 E 9.14 4.97 0.00 1.88 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 2.23 2.24 0.00 136 I 8.36 5.40 2.19 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 1.03 1.28 1.01 0.00 0.00 137 N 8.44 4.57 0.00 2.81 3.02 0.00 0.00 6.73 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 0.00 138 R 7.80 4.71 0.00 2.04 2.24 0.00 3.33 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 139 P 0.00 4.41 0.00 2.39 2.31 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 140 D 7.99 4.63 0.00 2.57 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 0.00 141 Y 8.00 5.01 0.00 3.38 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 0.00 142 L 7.66 4.12 0.00 1.72 1.17 0.97 1.29 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 0.00 143 D 8.55 4.37 0.00 2.53 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 6.94 4.78 0.00 3.20 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 0.00 145 A 7.56 4.23 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 0.00 146 S 7.87 4.72 0.00 3.84 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 0.00 147 T 8.35 4.01 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 1.27 0.00 0.00 148 G 9.14 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 0.00 0.00 0.00 149 Q 7.96 4.28 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 150 V 7.96 4.94 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 1.07 0.00 0.00 0.98 0.00 0.00 151 Y 8.68 5.67 0.00 3.05 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 0.00 152 F 8.73 4.93 0.00 1.51 1.45 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 0.00 153 G 8.03 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 0.00 0.00 0.00 154 I 8.53 5.29 1.89 0.00 0.00 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 0.88 0.65 0.55 0.00 0.00 155 I 9.29 5.08 1.97 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 1.16 1.51 1.01 0.00 0.00 156 A 8.35 3.46 0.61 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 0.00 157 L 8.97 4.21 0.00 1.44 1.53 0.95 0.80 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 * Residues marked with a * may have inaccurate shift predictions.