NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.3461 8.2548 109.1115 45.1123 0.0000 174.9624 17 I 3.6386 7.2750 120.8398 63.8524 37.2236 175.5425 18 T 4.0026 7.9373 116.4783 62.9731 70.0901 174.2255 19 G 3.5111 7.6542 114.0484 45.3477 0.0000 170.7503 20 T 4.6224 7.5439 117.5431 61.3729 71.4203 173.5863 21 W 4.6430 8.2199 125.7056 54.7307 33.0171 174.1015 22 Y 5.6062 9.5992 121.3612 56.2956 41.6309 174.1390 23 N 5.4447 8.4431 118.9442 51.3384 40.3610 175.3547 24 Q 3.8659 7.7153 117.4987 58.7263 28.8828 178.8329 25 L 4.5145 7.4603 124.1452 52.2916 42.0983 176.3302 26 G 3.9732 8.5610 107.5013 45.8598 0.0000 171.3255 27 S 4.9820 8.0765 115.6732 58.0212 64.9081 173.4824 28 T 5.2683 8.4839 118.2780 62.0559 73.0702 172.9931 29 F 5.1627 8.5163 118.7382 55.2391 42.1333 173.2258 30 I 4.9643 8.4196 121.4944 59.6457 39.4136 175.1150 31 V 4.9225 8.8936 126.2350 60.2051 35.4227 174.3982 32 T 4.8191 9.0797 119.5234 61.7930 71.0904 172.8827 33 A 4.8443 8.6272 129.4150 50.6549 19.9834 176.5907 34 G 4.1745 9.1986 110.4892 44.4942 0.0000 174.4527 35 A 4.3696 8.8994 124.8474 55.0140 18.4460 178.9511 36 D 4.3500 7.9565 113.7066 54.4920 40.1662 177.1364 37 G 3.5197 8.5677 108.8229 44.7996 0.0000 173.2752 38 A 4.5977 8.3667 121.6180 51.4457 20.3584 177.1208 39 L 5.0749 8.8276 119.5368 53.2536 44.7376 175.7955 40 T 4.7553 8.8551 118.5081 60.0456 71.1640 173.8933 41 G 4.3828 7.2409 112.4108 46.3071 0.0000 171.2766 42 T 5.1835 7.7694 115.3166 61.9285 73.1600 172.3734 43 Y 4.9800 9.7416 127.6122 55.7989 41.7760 173.6574 44 E 5.5007 9.0227 128.8118 54.5609 31.3706 176.1141 45 S 4.7559 9.7057 121.8890 59.5478 63.2320 173.6234 46 A 4.2234 8.0117 129.0067 53.1891 23.3890 177.3066 *51 E 3.9077 8.2296 114.1502 55.5588 31.3815 176.1316 52 S 4.8848 7.8596 111.9652 58.3256 64.4719 173.4244 53 R 5.0727 7.7033 119.0045 56.0906 31.1850 175.3557 54 Y 4.9502 9.3895 119.7772 56.1247 43.0225 174.6194 55 V 4.2092 8.6374 122.3712 62.8727 32.0457 175.1225 56 L 5.1135 8.6307 127.5405 54.5336 43.7433 175.1512 57 T 4.7414 8.5388 114.0072 61.5972 71.4709 173.2360 58 G 4.9736 8.4198 112.2980 47.1658 0.0000 172.0322 59 R 5.5905 8.5108 117.2148 55.0124 34.8418 173.8901 60 Y 5.2349 8.3236 117.9690 55.6147 41.3847 174.5028 61 D 4.2989 9.1217 120.5706 54.3420 40.4765 176.6974 62 S 4.4934 8.1229 120.5769 58.6370 64.1509 174.3378 63 A 4.6776 7.7543 123.1048 50.0387 18.3190 173.1511 64 P 4.7445 0.0000 0.0000 60.7404 32.8414 176.8701 65 A 4.3160 8.2933 121.7516 52.5329 18.7981 177.1666 66 T 4.6454 8.2637 107.6435 61.5932 69.1557 174.2400 67 D 4.5827 8.1927 119.2073 54.0888 39.5941 176.9307 68 G 3.9909 8.2617 107.6329 45.5332 0.0000 174.1728 69 S 4.3748 7.9658 115.6257 57.8538 63.5012 173.9751 70 G 4.0160 8.3277 109.8716 46.3689 0.0000 172.7948 71 T 4.8176 8.6323 116.2863 61.5720 70.3042 174.7586 72 A 4.8431 8.6965 129.3575 52.1013 19.9881 175.9055 73 L 5.0047 9.1007 120.8031 55.5055 44.9004 174.0990 74 G 4.6668 9.0919 104.7667 45.5640 0.0000 172.2060 75 W 5.8581 8.9712 118.0067 55.5071 32.4559 173.4263 76 T 5.1804 9.2005 116.4128 61.8223 72.1458 173.5492 77 V 4.3724 8.5765 124.2620 61.0129 34.6334 173.7224 78 A 4.5026 8.2328 129.7644 49.4204 20.3063 177.7364 79 W 4.1515 8.4524 126.5948 55.7020 28.2695 176.6051 80 K 5.1926 7.8358 118.1842 54.6686 34.9685 174.2927 81 N 5.1849 8.8982 123.1843 51.2055 40.1884 174.2495 82 N 4.3884 8.6274 113.6701 54.9310 38.7188 175.3873 83 Y 4.4895 7.6049 114.8698 58.5522 39.7273 175.5997 84 R 4.7142 9.4456 115.7628 54.9703 32.6963 173.5920 85 N 5.2039 8.4832 116.1659 52.5506 40.9652 173.6161 86 A 4.3992 9.1837 128.5802 51.6133 19.8800 176.0166 87 H 4.2236 8.6446 113.2850 56.4573 27.1438 174.1281 88 S 5.2908 7.6683 111.6945 57.5590 68.1524 174.0839 89 A 4.8447 8.9395 122.4322 50.8871 22.9388 175.3391 90 T 4.9222 8.8782 118.2312 61.6803 72.0100 173.2183 91 T 4.9552 8.3564 115.3773 59.5732 71.8532 172.8338 92 W 4.8496 9.1118 124.6584 54.7604 31.9120 174.3936 93 S 4.8291 8.7014 120.0909 56.6158 64.3643 172.4321 94 G 4.4693 8.9007 114.8582 46.5209 0.0000 171.8734 95 Q 5.2693 8.4660 119.0663 54.9588 32.9438 173.6452 96 Y 4.8341 9.3038 122.9483 56.6756 40.7503 174.2574 97 V 4.0829 8.4511 126.9990 60.8042 33.4844 176.0658 98 G 3.6051 7.8568 120.7061 46.2371 0.0000 170.5612 99 G 3.9019 8.8949 107.2102 44.7037 0.0000 172.9671 100 A 4.5265 8.2689 121.9195 52.0288 19.3444 177.0623 101 E 4.6872 7.6529 116.2314 55.3766 29.5884 176.0310 102 A 4.6459 8.1806 120.6317 51.9533 19.9326 178.0487 103 R 5.4247 9.2830 118.0879 55.2186 34.0587 174.0252 104 I 5.2748 8.9366 120.2007 58.8422 40.3741 174.4807 105 N 5.3875 8.9638 125.5904 52.3320 40.0449 174.4831 106 T 5.3158 9.3929 113.9383 60.0670 72.9141 172.7764 107 Q 5.2092 9.0444 121.0277 53.9563 32.4344 174.7842 108 W 5.4268 8.4245 117.9442 54.7291 32.3637 173.7750 109 L 5.2631 8.7807 120.3072 52.8643 44.8934 175.2674 110 L 5.0228 9.4011 125.7893 53.6383 44.8581 174.8974 111 T 5.0707 8.7902 123.3947 61.9734 71.0078 173.5203 112 S 5.1846 8.3555 122.3570 56.4685 64.9302 174.5420 113 G 3.8663 8.9501 112.5741 46.7642 0.0000 172.9944 114 T 4.8233 8.2490 114.0685 59.5773 72.4255 173.5574 115 T 4.1471 8.1080 111.7126 61.3751 69.5952 175.3918 116 E 4.0313 8.7147 121.7102 59.3592 29.2148 179.4334 117 A 4.1903 8.0933 119.7731 54.1951 18.6978 178.1333 118 N 4.8283 8.0104 112.8886 52.9436 38.9802 176.3272 119 A 3.9496 7.6811 125.0367 55.1031 18.2176 180.0486 120 W 4.2959 8.4899 112.8273 58.7272 28.0036 176.5984 121 K 4.0811 6.6460 117.9991 55.9936 32.3867 177.5502 122 S 4.1390 8.0123 117.1538 61.3193 63.4775 173.4138 123 T 5.0454 7.5207 116.8902 61.6746 71.0202 173.6735 124 L 4.6956 9.0321 127.4423 53.6470 43.8313 176.2254 125 V 4.4183 7.8425 120.2590 60.2306 34.5843 174.6307 126 G 2.9485 6.6330 108.0770 45.4600 0.0000 171.0748 127 H 5.5036 7.9644 113.7794 54.1179 32.0305 172.7370 128 A 4.7916 9.2683 119.3521 51.4313 22.9378 175.3441 129 T 5.2144 8.5552 117.7880 61.8800 71.7267 173.4242 130 F 5.4912 9.7244 123.7419 56.1665 42.9745 174.3281 131 T 5.1911 9.4031 118.0398 61.3809 72.6639 174.0952 132 K 4.2332 7.6747 121.8288 56.0608 31.7133 176.5085 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 16 G 8.25 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 17 I 7.28 3.64 1.38 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 -0.33 0.53 0.00 0.00 18 T 7.94 4.00 4.18 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 1.16 0.00 0.00 19 G 7.65 3.51 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 0.00 0.00 0.00 20 T 7.54 4.62 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 0.87 0.00 0.00 21 W 8.22 4.64 0.00 1.78 2.66 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 0.00 0.00 0.00 0.00 22 Y 9.60 5.61 0.00 2.77 2.84 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 23 N 8.44 5.44 0.00 2.34 2.44 0.00 0.00 6.94 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 24 Q 7.72 3.87 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 25 L 7.46 4.51 0.00 1.65 1.65 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.56 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 27 S 8.08 4.98 0.00 4.35 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 28 T 8.48 5.27 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 1.14 0.00 0.00 29 F 8.52 5.16 0.00 2.98 2.46 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 I 8.42 4.96 1.85 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 1.24 0.49 0.85 0.00 0.00 31 V 8.89 4.92 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 0.92 0.00 0.00 0.78 0.00 0.00 32 T 9.08 4.82 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 1.19 0.00 0.00 33 A 8.63 4.84 0.72 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 0.00 0.00 0.00 0.00 0.00 34 G 9.20 4.17 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 35 A 8.90 4.37 1.31 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 0.00 0.00 0.00 36 D 7.96 4.35 0.00 2.77 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 37 G 8.57 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.60 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 39 L 8.83 5.07 0.00 1.75 1.53 0.71 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.86 4.76 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 1.26 0.00 0.00 41 G 7.24 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 0.00 0.00 0.00 0.00 42 T 7.77 5.18 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 1.32 0.00 0.00 43 Y 9.74 4.98 0.00 2.88 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 44 E 9.02 5.50 0.00 2.13 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 2.41 2.31 0.00 45 S 9.71 4.76 0.00 4.01 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 46 A 8.01 4.22 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 *51 E 8.23 3.91 0.00 1.76 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 1.89 1.56 0.00 52 S 7.86 4.88 0.00 4.12 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 53 R 7.70 5.07 0.00 1.69 1.91 0.00 3.18 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 54 Y 9.39 4.95 0.00 2.82 2.77 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 0.00 0.00 0.00 55 V 8.64 4.21 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 0.79 0.00 0.00 0.96 0.00 0.00 56 L 8.63 5.11 0.00 1.87 1.65 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.54 4.74 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 1.22 0.00 0.00 58 G 8.42 4.97 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 59 R 8.51 5.59 0.00 1.73 1.78 0.00 3.32 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 60 Y 8.32 5.23 0.00 3.12 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 61 D 9.12 4.30 0.00 2.75 2.71 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 62 S 8.12 4.49 0.00 3.91 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 63 A 7.75 4.68 1.23 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 0.00 0.00 64 P 0.00 4.74 0.00 2.27 2.19 0.00 3.44 0.00 0.00 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.29 4.32 1.31 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 0.00 0.00 0.00 66 T 8.26 4.65 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 1.24 0.00 0.00 67 D 8.19 4.58 0.00 2.80 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 68 G 8.26 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 0.00 0.00 0.00 69 S 7.97 4.37 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 70 G 8.33 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 71 T 8.63 4.82 4.53 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 1.46 0.00 0.00 72 A 8.70 4.84 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 73 L 9.10 5.00 0.00 2.02 1.96 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.09 4.67 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 75 W 8.97 5.86 0.00 3.36 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 76 T 9.20 5.18 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 1.18 0.00 0.00 77 V 8.58 4.37 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 -0.73 0.00 0.00 0.73 0.00 0.00 78 A 8.23 4.50 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 79 W 8.45 4.15 0.00 3.28 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 80 K 7.84 5.19 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.55 7.81 81 N 8.90 5.18 0.00 2.89 2.70 0.00 0.00 6.57 6.87 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 82 N 8.63 4.39 0.00 2.31 2.30 0.00 0.00 6.70 7.46 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 83 Y 7.60 4.49 0.00 3.22 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 R 9.45 4.71 0.00 1.93 2.09 0.00 3.07 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 85 N 8.48 5.20 0.00 2.66 2.63 0.00 0.00 6.88 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 86 A 9.18 4.40 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 87 H 8.64 4.22 0.00 3.35 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.67 5.29 0.00 3.93 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 89 A 8.94 4.84 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 90 T 8.88 4.92 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 -0.56 0.00 0.00 91 T 8.36 4.96 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 1.12 0.00 0.00 92 W 9.11 4.85 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.70 4.83 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 94 G 8.90 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.47 5.27 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 96 Y 9.30 4.83 0.00 3.00 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 97 V 8.45 4.08 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 0.92 0.00 0.00 0.91 0.00 0.00 98 G 7.86 3.61 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 0.00 99 G 8.89 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 0.00 100 A 8.27 4.53 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 0.00 101 E 7.65 4.69 0.00 1.89 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 2.20 2.28 0.00 102 A 8.18 4.65 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 0.00 103 R 9.28 5.42 0.00 2.04 2.21 0.00 2.81 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 1.80 1.67 0.00 104 I 8.94 5.27 1.92 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 1.20 0.00 0.00 105 N 8.96 5.39 0.00 2.73 2.84 0.00 0.00 6.60 7.05 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 0.00 106 T 9.39 5.32 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 107 Q 9.04 5.21 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 108 W 8.42 5.43 0.00 2.67 2.42 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 0.00 0.00 0.00 0.00 109 L 8.78 5.26 0.00 1.49 1.52 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.40 5.02 0.00 1.65 1.71 1.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.79 5.07 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 1.19 0.00 0.00 112 S 8.36 5.18 0.00 3.73 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 0.00 113 G 8.95 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 0.00 114 T 8.25 4.82 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 1.17 0.00 0.00 115 T 8.11 4.15 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 1.21 0.00 0.00 116 E 8.71 4.03 0.00 2.10 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 0.00 2.41 2.45 0.00 117 A 8.09 4.19 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 0.00 118 N 8.01 4.83 0.00 2.71 2.69 0.00 0.00 6.73 6.54 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 0.00 119 A 7.68 3.95 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 0.00 120 W 8.49 4.30 0.00 3.58 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 0.00 121 K 6.65 4.08 0.00 1.10 0.74 0.00 1.17 0.00 0.00 1.01 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.30 0.73 7.81 122 S 8.01 4.14 0.00 3.95 4.17 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 0.00 123 T 7.52 5.05 4.20 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 1.18 0.00 0.00 124 L 9.03 4.70 0.00 1.77 1.72 0.98 0.48 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 0.00 125 V 7.84 4.42 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 0.54 0.00 0.00 0.71 0.00 0.00 126 G 6.63 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 0.00 0.00 0.00 127 H 7.96 5.50 0.00 3.18 3.16 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 9.27 4.79 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 0.00 129 T 8.56 5.21 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 1.40 0.00 0.00 130 F 9.72 5.49 0.00 3.11 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 0.00 131 T 9.40 5.19 4.45 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 1.31 0.00 0.00 132 K 7.67 4.23 0.00 1.05 1.37 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 0.50 7.81 * Residues marked with a * may have inaccurate shift predictions.