NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *59 H 4.7761 8.3033 117.3756 54.1487 29.4751 173.4098 60 I 3.6710 7.6063 126.4643 62.6129 37.2854 176.3428 61 S 4.4045 8.8941 114.7552 60.4070 63.4005 174.9137 62 L 4.7724 7.8277 120.7508 54.0760 43.2531 176.5454 63 N 5.0036 7.9783 117.3612 49.9240 39.2028 172.8733 64 P 4.2708 0.0000 0.0000 65.5525 31.7990 179.2816 65 D 4.4389 8.0589 117.2664 56.2632 40.8500 176.7023 66 L 4.2973 7.8878 117.3928 54.7102 42.2232 176.4165 67 A 4.4493 7.4221 122.0694 50.1786 20.3626 176.4484 68 N 4.3452 8.5450 120.5448 54.1725 39.5353 176.1243 69 E 3.9423 8.9649 125.1642 61.5189 29.5127 175.7659 70 D 4.5108 7.9997 118.0598 57.1329 41.0006 178.2370 71 E 4.0600 8.0235 119.9444 59.3508 29.5264 179.0776 72 V 2.3038 7.2962 116.3254 65.1315 31.6011 175.9698 73 N 4.6812 7.9229 114.1655 53.1849 38.6558 174.4134 74 S 4.7959 7.5453 114.4456 56.5745 63.8589 174.5829 75 C 4.5232 8.7797 123.7380 59.5866 40.0988 174.3155 76 D 4.4723 7.9657 117.9842 54.6870 41.1628 176.2344 77 Y 4.4638 7.9588 122.2950 57.2383 39.2693 177.1128 78 W 4.2327 8.2275 123.7802 59.2689 28.3029 177.1399 79 R 3.4721 5.8400 112.6260 56.8504 29.2563 175.7138 80 H 5.1512 7.8715 115.7663 55.7814 29.3723 173.8168 81 C 4.6423 8.4247 115.1946 56.6171 43.1423 173.3779 82 A 5.0985 7.4189 121.5707 50.1689 18.6585 176.3093 83 V 3.6809 7.6839 120.6372 63.1772 33.3194 174.2256 84 D 4.9706 9.8414 127.9101 55.1157 42.5773 175.5283 85 G 3.6395 7.4616 114.4642 44.6993 0.0000 169.1231 86 F 5.1601 8.0341 118.5247 55.8191 40.3437 175.4424 87 L 4.6089 8.6627 126.2887 54.7620 42.0437 177.7254 88 C 4.2953 9.0888 122.2381 59.9387 40.3286 176.1489 89 S 4.1949 7.9579 112.0317 59.9719 62.6823 175.2826 90 C 4.6704 8.0826 117.3867 57.2524 40.2965 173.2145 91 C 4.7869 8.4348 116.5920 56.6119 40.2929 174.9728 92 G 3.8306 8.6540 107.6465 45.1581 0.0000 174.1642 93 G 4.3452 7.5803 109.7799 44.1558 0.0000 171.3735 94 T 4.7279 7.9708 109.4450 59.9090 71.9484 174.5776 95 T 3.9180 8.6045 117.0718 66.3184 68.3999 175.4281 96 T 4.6359 7.6391 109.0139 60.9305 69.4502 173.5481 97 T 4.6209 7.6864 112.1919 60.1740 71.5446 172.9148 98 C 4.7571 8.7060 122.8981 55.9440 36.7610 171.8424 99 P 4.4613 0.0000 0.0000 61.9460 31.6017 174.2112 100 P 4.3176 0.0000 0.0000 64.5224 31.5568 177.0186 101 G 3.9171 9.0102 110.1343 45.4235 0.0000 172.8370 102 S 4.9822 7.7232 113.1755 56.5354 65.9564 173.5391 103 T 4.6874 8.5762 118.1037 61.0221 70.9904 172.2821 104 P 5.0499 0.0000 0.0000 62.5954 32.2333 176.2379 105 S 4.6543 8.9389 118.9706 57.6304 63.4417 172.8916 106 P 4.5032 0.0000 0.0000 64.1619 31.7669 175.6826 107 I 4.8396 7.2570 111.2774 59.4295 41.5858 175.9218 108 S 3.5057 7.2010 119.4397 57.9601 67.1586 178.0871 *110 I 4.1071 8.5709 115.7766 61.1882 38.5768 174.8190 111 G 4.2637 7.6795 118.7499 46.4542 0.0000 172.0852 112 T 5.2559 8.7225 115.0213 60.0997 71.3920 174.5627 113 C 5.2658 9.1371 119.8370 55.5613 44.6615 172.5874 114 H 5.0725 9.0459 122.5109 55.0184 30.7484 173.9493 115 N 3.6722 8.6774 125.6877 51.0480 38.9032 173.7365 116 P 4.2425 0.0000 0.0000 64.9190 32.0322 177.5399 117 H 4.3319 7.9784 116.9409 57.9648 28.6369 175.7541 118 D 4.6652 7.8393 114.9227 52.2351 40.2257 176.6821 119 G 3.7960 8.2668 108.0475 45.8745 0.0000 173.2051 120 K 4.5405 8.0030 118.6530 54.3638 35.8207 174.5528 121 D 5.4023 8.0478 120.3764 52.8717 43.7806 175.1309 122 Y 5.0388 8.9861 119.9488 55.9515 42.1927 174.4414 123 L 4.7886 9.2121 125.6494 54.8337 43.6774 175.4366 124 I 4.7393 9.0191 127.0941 59.3547 40.4867 174.4092 125 S 4.4430 8.7909 121.3535 56.2312 64.5713 173.8697 126 Y 5.2597 7.8166 129.2009 56.5557 35.4837 175.5455 127 H 4.4529 7.9576 118.4831 56.1305 30.9223 176.0402 128 D 5.4653 9.1319 121.0294 53.3877 43.9648 174.5252 129 C 5.5371 9.1912 117.6259 55.7234 43.3722 172.7516 130 C 5.3179 9.0211 119.0227 55.9447 44.7371 174.9341 131 G 4.1021 9.5529 107.9879 45.6177 0.0000 173.5825 132 K 4.6041 7.3992 116.6978 54.0290 35.9634 176.1627 133 T 4.1036 8.2610 111.2551 60.7630 69.5477 173.9452 134 A 4.0960 8.4777 124.6316 52.7894 18.7423 178.2385 135 C 4.0043 8.3125 123.8702 58.6294 43.6733 175.2487 136 G 3.1244 5.6869 105.0095 44.7386 0.0000 172.9236 137 R 4.4969 7.0000 117.6245 55.5574 33.1215 176.4112 138 C 4.2183 8.7078 116.6476 58.1723 37.5338 173.2908 139 Q 4.7008 7.9929 119.2730 56.2750 30.0185 175.2894 140 C 5.1357 8.9508 122.0121 54.6853 44.4245 173.4605 141 N 5.2440 7.9741 117.7137 52.6663 37.4991 174.0459 142 T 4.4048 8.3873 111.4187 61.0630 71.6967 176.7850 143 Q 4.6889 8.2446 119.7245 55.9353 32.1054 174.7102 144 T 3.9868 8.0800 117.2460 65.0199 68.5612 174.5182 145 R 3.8884 8.8180 123.4576 56.6479 27.9617 175.7916 146 E 4.3869 7.9135 119.3149 56.4009 30.2265 176.0885 147 R 4.7397 8.4890 123.1583 53.7045 35.3698 173.1070 148 P 4.4257 0.0000 0.0000 61.7280 32.8067 177.5708 149 G 3.7475 8.1763 108.5577 47.9024 0.0000 174.0930 150 Y 4.4224 7.3090 116.6491 58.1596 39.0267 175.6737 151 E 4.8061 7.8678 121.1003 54.6531 29.9338 176.1359 152 F 4.2617 8.2560 124.4635 61.2153 40.1198 176.3481 153 F 4.3792 8.2935 115.7688 58.2789 39.2430 175.5996 154 L 4.6991 8.2593 120.8398 54.5950 41.9684 174.9707 155 H 5.5811 8.1701 118.8974 53.7874 31.0734 173.9475 156 N 4.9112 8.9960 123.0806 52.8691 37.3967 174.3083 157 D 4.5979 7.3237 115.7978 54.3731 41.0700 176.2645 158 V 4.0954 6.7791 111.5513 59.0252 34.8312 175.2537 159 N 4.2731 7.9714 120.3568 52.6365 37.9675 175.4505 160 W 4.4668 8.1404 123.8232 58.0004 29.2565 176.6971 161 C 4.7990 8.7852 116.7054 57.4446 39.8060 175.2904 162 M 3.7487 8.0525 118.4853 57.5233 30.6616 177.0241 163 A 4.6303 7.9218 119.5043 51.7491 19.7796 176.2139 164 N 4.7247 7.9909 114.4849 52.6627 39.4066 174.9781 165 E 4.0250 8.8839 120.7880 58.5786 29.7605 176.7031 166 N 4.9448 7.9507 116.3006 51.7335 40.9283 173.6150 167 S 4.7285 8.7437 119.2230 58.8906 63.9069 174.2682 168 T 4.0522 8.1732 120.1250 64.1002 69.2020 173.0242 169 F 4.6954 8.9700 129.1539 58.4797 40.0621 173.4937 170 H 4.6495 8.4309 125.8339 57.1710 31.4962 171.7110 171 C 4.8426 6.8474 109.8226 54.8456 46.4393 171.5950 172 T 5.2010 9.2672 113.7133 60.5971 69.9403 171.1083 173 T 4.4289 8.8027 125.9391 61.5928 72.3274 174.1269 174 S 4.3190 8.8014 116.4009 56.6683 66.5167 172.8953 175 V 4.2482 8.4761 126.3163 61.3945 32.9405 174.5509 176 L 4.3997 8.3472 130.5272 54.8230 41.9951 176.2271 177 V 3.7868 8.9565 127.8881 63.9339 32.4094 176.1563 178 G 4.0376 7.5306 105.7199 45.5661 0.0000 171.1360 179 L 4.1247 8.2178 118.8498 54.3448 42.2017 177.2855 180 A 4.1482 8.3745 124.5285 52.5703 18.2131 177.4864 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 *59 H 8.30 4.78 0.00 2.85 3.06 0.00 7.17 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.61 3.67 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 1.70 0.27 0.94 0.00 0.00 61 S 8.89 4.40 0.00 3.99 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 62 L 7.83 4.77 0.00 1.74 1.70 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 63 N 7.98 5.00 0.00 2.74 2.71 0.00 0.00 6.66 7.56 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 64 P 0.00 4.27 0.00 2.18 2.35 0.00 3.72 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 2.08 2.05 0.00 65 D 8.06 4.44 0.00 2.68 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 66 L 7.89 4.30 0.00 1.75 1.71 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.42 4.45 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 68 N 8.54 4.35 0.00 2.76 2.69 0.00 0.00 6.97 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 69 E 8.96 3.94 0.00 2.01 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 2.32 1.98 0.00 70 D 8.00 4.51 0.00 2.62 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 71 E 8.02 4.06 0.00 2.05 1.97 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 2.44 2.44 0.00 72 V 7.30 2.30 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 0.66 0.00 0.00 0.43 0.00 0.00 73 N 7.92 4.68 0.00 2.77 2.80 0.00 0.00 6.87 8.32 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 74 S 7.55 4.80 0.00 3.95 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 75 C 8.78 4.52 0.00 3.04 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 76 D 7.97 4.47 0.00 2.78 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 77 Y 7.96 4.46 0.00 3.16 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 78 W 8.23 4.23 0.00 3.67 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 79 R 5.84 3.47 0.00 1.06 0.66 0.00 2.88 0.00 0.00 3.04 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 80 H 7.87 5.15 0.00 3.35 3.37 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.42 4.64 0.00 3.08 3.59 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 82 A 7.42 5.10 0.92 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 83 V 7.68 3.68 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 0.98 0.00 0.00 1.04 0.00 0.00 84 D 9.84 4.97 0.00 2.49 2.44 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 85 G 7.46 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 0.00 0.00 0.00 86 F 8.03 5.16 0.00 3.16 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 87 L 8.66 4.61 0.00 1.73 1.58 0.94 0.37 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 88 C 9.09 4.30 0.00 3.01 3.14 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 89 S 7.96 4.19 0.00 3.97 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 8.08 4.67 0.00 3.13 3.14 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 91 C 8.43 4.79 0.00 3.00 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 92 G 8.65 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.58 4.35 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 94 T 7.97 4.73 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 95 T 8.60 3.92 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 1.25 0.00 0.00 96 T 7.64 4.64 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 97 T 7.69 4.62 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 98 C 8.71 4.76 0.00 2.99 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 99 P 0.00 4.46 0.00 2.21 2.19 0.00 3.65 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 2.16 2.20 0.00 100 P 0.00 4.32 0.00 2.01 1.99 0.00 3.72 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 2.02 2.09 0.00 101 G 9.01 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 0.00 102 S 7.72 4.98 0.00 3.94 3.68 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 0.00 103 T 8.58 4.69 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 104 P 0.00 5.05 0.00 1.94 1.98 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 105 S 8.94 4.65 0.00 4.14 4.03 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 0.00 106 P 0.00 4.50 0.00 2.27 2.27 0.00 3.83 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 2.10 2.03 0.00 107 I 7.26 4.84 2.19 0.00 0.00 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 1.72 1.28 1.10 0.00 0.00 108 S 7.20 3.51 0.00 3.67 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 *110 I 8.57 4.11 1.91 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 1.55 0.64 0.78 0.00 0.00 111 G 7.68 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 0.00 0.00 0.00 112 T 8.72 5.26 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 113 C 9.14 5.27 0.00 3.19 3.40 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 0.00 114 H 9.05 5.07 0.00 3.21 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.68 3.67 0.00 1.44 2.41 0.00 0.00 6.64 7.75 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 0.00 116 P 0.00 4.24 0.00 2.09 2.11 0.00 3.38 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 117 H 7.98 4.33 0.00 3.12 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 7.84 4.67 0.00 2.71 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 0.00 119 G 8.27 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 0.00 120 K 8.00 4.54 0.00 1.59 1.25 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.48 7.81 121 D 8.05 5.40 0.00 2.47 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 0.00 122 Y 8.99 5.04 0.00 3.29 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 0.00 123 L 9.21 4.79 0.00 1.75 1.70 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 124 I 9.02 4.74 1.33 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 -0.02 0.00 0.00 125 S 8.79 4.44 0.00 3.72 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 0.00 126 Y 7.82 5.26 0.00 2.77 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 0.00 127 H 7.96 4.45 0.00 3.10 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.13 5.47 0.00 2.84 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 0.00 129 C 9.19 5.54 0.00 2.82 2.97 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 0.00 130 C 9.02 5.32 0.00 2.98 3.14 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 0.00 131 G 9.55 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 0.00 132 K 7.40 4.60 0.00 1.35 1.46 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.24 1.39 7.81 133 T 8.26 4.10 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 0.00 134 A 8.48 4.10 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 0.00 135 C 8.31 4.00 0.00 2.49 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 0.00 136 G 5.69 3.12 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 0.00 137 R 7.00 4.50 0.00 1.71 1.81 0.00 3.26 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 138 C 8.71 4.22 0.00 3.18 3.14 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 0.00 139 Q 7.99 4.70 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.01 0.00 140 C 8.95 5.14 0.00 2.81 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 0.00 141 N 7.97 5.24 0.00 2.58 2.63 0.00 0.00 7.01 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 0.00 142 T 8.39 4.40 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 1.27 0.00 0.00 143 Q 8.24 4.69 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.12 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 144 T 8.08 3.99 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 nan 0.00 0.00 145 R 8.82 3.89 0.00 2.01 2.07 0.00 3.25 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 146 E 7.91 4.39 0.00 1.94 1.88 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 2.48 2.46 0.00 147 R 8.49 4.74 0.00 1.70 1.72 0.00 3.45 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 148 P 0.00 4.43 0.00 1.15 1.76 0.00 3.06 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 1.97 0.00 149 G 8.18 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 0.00 0.00 0.00 150 Y 7.31 4.42 0.00 3.06 3.12 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 0.00 151 E 7.87 4.81 0.00 2.00 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 2.36 2.29 0.00 152 F 8.26 4.26 0.00 2.99 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 0.00 153 F 8.29 4.38 0.00 3.13 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 0.00 154 L 8.26 4.70 0.00 1.86 1.69 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 155 H 8.17 5.58 0.00 3.04 3.12 0.00 5.55 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 9.00 4.91 0.00 2.65 2.68 0.00 0.00 6.94 8.61 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 0.00 157 D 7.32 4.60 0.00 2.47 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 6.78 4.10 1.57 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 0.62 0.00 0.00 -0.23 0.00 0.00 159 N 7.97 4.27 0.00 2.64 2.58 0.00 0.00 6.94 7.95 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 0.00 160 W 8.14 4.47 0.00 3.52 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 0.00 161 C 8.79 4.80 0.00 3.42 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 0.00 162 M 8.05 3.75 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.48 0.00 163 A 7.92 4.63 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 0.00 164 N 7.99 4.72 0.00 3.00 2.90 0.00 0.00 6.83 7.19 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 0.00 165 E 8.88 4.03 0.00 1.95 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 2.31 2.33 0.00 166 N 7.95 4.94 0.00 2.68 2.67 0.00 0.00 6.97 7.63 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 0.00 167 S 8.74 4.73 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 8.17 4.05 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 169 F 8.97 4.70 0.00 3.21 3.06 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 0.00 170 H 8.43 4.65 0.00 3.32 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 C 6.85 4.84 0.00 3.20 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 0.00 172 T 9.27 5.20 4.70 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 1.33 0.00 0.00 173 T 8.80 4.43 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 1.32 0.00 0.00 174 S 8.80 4.32 0.00 3.75 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 0.00 175 V 8.48 4.25 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 0.92 0.00 0.00 0.92 0.00 0.00 176 L 8.35 4.40 0.00 1.55 1.51 1.08 0.76 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 0.00 177 V 8.96 3.79 2.20 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 0.77 0.00 0.00 0.89 0.00 0.00 178 G 7.53 4.04 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 0.00 0.00 0.00 179 L 8.22 4.12 0.00 1.59 1.45 0.88 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 180 A 8.37 4.15 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.