NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.4765 8.0549 120.3143 64.0997 33.0767 174.4736 2 T 3.0754 8.5583 119.3248 64.1609 63.6993 170.2747 3 L 4.6886 8.4382 123.4118 54.8995 46.2603 177.7548 4 L 4.9995 7.8878 116.1586 52.8987 45.6104 176.3120 5 E 4.4721 8.9296 120.7064 55.4178 32.2808 173.1311 6 Q 5.2081 8.7609 128.6606 54.4152 30.8300 173.8669 7 N 5.3912 8.5813 122.2342 51.1011 43.7435 172.9283 8 P 4.7986 0.0000 0.0000 62.4385 33.1743 175.5258 9 R 4.5672 8.4810 116.6970 57.5600 31.3521 175.7063 10 W 5.6479 7.9752 126.5716 55.9576 34.2175 174.0400 11 R 4.0602 7.4543 123.6753 55.0365 33.4789 173.2440 12 L 4.9138 7.8259 124.1573 52.7363 44.1776 176.2570 13 V 4.3412 8.1422 122.5051 58.7795 34.1962 173.3153 14 P 4.5590 0.0000 0.0000 62.5299 31.1579 177.3163 15 R 3.8583 8.7875 120.9337 58.0401 29.2978 177.2900 16 G 3.7763 7.8970 106.2253 46.4858 0.0000 173.9512 17 Q 4.3881 8.0653 118.1649 54.5202 30.4884 174.5322 18 A 4.8158 8.0701 120.8186 50.6919 21.4298 176.3145 19 V 4.3726 8.6515 118.7906 61.1773 35.2571 174.6861 20 N 5.2757 8.4644 120.9025 51.4958 40.9261 174.1400 21 L 4.6337 9.0707 124.9041 54.0843 43.7074 176.3744 22 R 5.3170 8.3449 113.7560 54.9877 33.3509 172.9103 23 C 5.2400 9.7169 122.3198 54.8804 42.6113 172.3099 24 I 4.9064 8.5240 127.1710 59.3628 38.9375 174.6542 25 L 4.1609 9.4008 131.8477 55.1441 42.0423 176.0143 26 K 4.2138 10.0859 129.7761 58.4098 32.2458 175.7713 27 N 4.5543 7.9130 118.2692 52.9141 39.8234 175.1435 28 S 4.3012 8.5101 119.3138 59.6715 62.8936 175.2183 29 Q 4.0434 9.3507 118.8226 58.4214 28.5467 176.2513 30 Y 5.0961 6.7236 113.9581 55.1418 37.9922 173.2679 30A P 4.2383 0.0000 0.0000 64.9589 32.2329 177.1908 31 W 4.2970 8.2315 119.6829 56.9282 30.0020 175.5334 32 M 5.2962 9.0898 124.9375 53.6743 34.4574 175.2986 33 S 5.4031 8.8540 117.6515 56.6127 68.3577 172.8016 34 W 5.8894 9.2487 119.7531 55.6431 32.4636 174.5524 35 Y 5.3417 10.0829 122.7139 56.1234 41.5444 174.6525 36 Q 5.1640 9.1554 119.5487 54.4876 32.3796 174.0885 37 Q 5.1672 9.3310 123.5896 54.3875 31.4596 175.0676 38 D 5.0860 8.6633 126.6201 52.2029 40.6119 177.2281 39 L 4.1460 8.5053 119.1244 57.4699 41.5214 178.3629 40 Q 4.3593 8.2678 114.8724 55.7015 28.6455 176.1620 41 K 4.1278 8.4768 116.5397 57.1987 30.2288 175.5775 42 Q 4.4592 8.1057 118.8910 54.9536 29.9488 175.0295 43 L 4.9238 8.5266 124.5595 54.5746 43.1894 176.3960 44 Q 4.6348 9.1791 123.5163 54.3727 32.8147 173.5137 45 W 3.1098 8.9293 135.0000 57.8130 30.9842 174.2105 46 L 3.6758 7.7268 124.7155 55.5075 43.2511 176.5033 47 F 4.2986 6.8395 114.3947 56.5986 44.1364 173.7933 48 T 5.2756 8.7701 116.5677 62.7467 71.4190 173.2923 49 L 4.9158 9.6008 127.3519 53.0945 44.3313 177.5582 50 R 3.6726 8.6379 121.3820 56.3958 32.1199 176.0964 51 S 4.6984 7.6269 110.6431 55.0668 65.7219 171.6416 52 P 4.5589 0.0000 0.0000 64.5105 31.5274 176.5140 53 G 4.0254 8.6021 110.0477 45.3257 0.0000 173.8050 54 D 4.7138 7.8305 120.7208 54.1096 41.7700 175.8083 55 K 5.0964 8.4681 121.4949 55.4361 36.0396 175.1575 56 E 4.8003 9.0570 122.7113 54.9988 33.5969 173.8287 57 V 5.3098 8.5188 118.9188 58.7586 34.4677 175.0182 58 K 4.7856 8.9835 125.2561 54.7032 35.6112 174.6629 59 S 5.2510 8.7976 121.1891 56.7673 65.5034 173.1882 60 L 4.6989 8.9376 120.9958 52.2281 45.7891 173.8173 61 P 4.3183 0.0000 0.0000 65.9344 31.3906 175.9901 62 G 4.5427 9.5589 112.3339 45.1491 0.0000 172.3090 63 A 4.5328 8.0321 118.8319 51.0448 23.0076 175.0423 64 D 5.0569 8.1152 119.3955 52.7209 43.9503 175.2722 65 Y 5.2450 8.6669 118.2375 56.5685 42.9239 175.0272 66 L 4.7066 8.6249 123.3136 54.4153 44.7829 173.9092 67 A 5.1457 8.0485 129.1088 50.3533 21.4738 175.5706 68 T 4.9097 8.8503 111.0088 60.1186 72.9661 173.0835 69 R 4.4891 9.0650 126.1381 55.1160 30.3322 176.9523 70 V 3.6774 8.6099 128.2553 65.4586 31.7518 175.4934 71 T 4.5452 7.1941 107.2564 60.8457 71.0143 173.1949 72 D 4.4763 8.6298 120.0614 56.0046 41.0189 176.6712 73 T 4.6268 7.6631 107.8038 60.6095 71.2429 173.0481 74 E 5.3056 8.2588 122.6388 54.6028 32.2656 174.4832 75 L 5.0877 8.9387 127.7326 53.3301 44.3851 175.3134 76 R 5.3594 9.4871 125.2552 54.5835 33.7988 174.8955 77 L 4.9581 8.7890 123.5484 53.5164 45.4027 174.5904 78 Q 5.0614 9.0391 124.9600 54.2230 31.4470 174.6961 79 V 4.6057 8.7792 123.7956 60.0243 33.5524 174.8710 80 A 4.7194 8.1985 127.0826 49.3543 22.5296 175.2995 81 N 3.7774 8.6773 112.1671 54.2157 36.2543 175.4597 82 M 4.8933 8.0369 117.4872 55.1787 30.9245 175.5816 83 S 4.1777 8.3961 121.2716 60.2483 63.6410 174.0949 84 Q 4.6548 7.5348 119.1617 53.5123 32.3444 173.7988 85 G 4.3184 8.4226 107.0678 46.5184 0.0000 173.2769 86 R 4.9054 8.2043 116.7310 55.2303 33.0485 173.2308 87 T 4.9444 8.5567 115.4548 59.3874 70.0248 172.7910 *90 L 4.7283 8.3903 127.4933 54.9721 43.6451 175.2025 91 Y 5.3575 9.7294 120.7145 56.4640 41.2852 173.7095 92 C 5.2939 9.2997 122.9810 55.0598 45.8913 172.5744 93 T 4.8831 8.3108 114.2930 60.2414 72.4732 172.0056 94 C 5.9684 8.5677 115.0920 56.8506 32.9271 172.8344 95 S 4.6982 8.5503 113.0505 57.7068 65.8499 175.2902 96 A 4.3243 9.4501 123.5369 54.8514 18.6217 177.7259 97 A 4.7542 7.7593 116.7475 49.2789 22.5065 174.8580 98 P 3.8706 0.0000 0.0000 65.3118 31.2510 177.6358 99 D 4.8895 7.6015 115.3602 52.2874 39.9970 175.3971 100 W 5.2275 7.7522 127.3389 57.0559 34.8993 175.0763 101 G 4.1273 7.1921 112.7402 44.8047 0.0000 172.5583 102 A 3.6755 7.8017 123.9070 52.0693 18.4462 177.6313 103 S 4.7731 7.7414 110.9939 56.6937 64.7173 174.1547 104 A 4.6226 7.0389 123.3618 49.8805 21.8187 176.9434 105 E 2.0000 7.9571 119.5890 57.4359 29.7838 176.7379 105A T 4.4307 6.7586 110.9303 59.1328 70.5634 172.7864 106 L 3.8019 8.2127 127.4980 55.1588 42.6292 175.4705 107 Y 4.4650 8.0620 126.0120 55.6206 40.5071 174.4535 108 F 4.4423 7.8561 125.6506 55.5882 41.2260 176.3853 109 G 4.1515 8.3812 116.7966 45.2863 0.0000 173.5362 110 S 4.3033 8.9699 113.8352 58.7129 63.7450 175.6169 111 G 3.9322 8.2685 110.4594 44.7427 0.0000 171.9111 112 T 4.7382 8.2164 115.0548 61.6303 71.2544 173.8168 113 R 4.4360 8.8919 128.0786 55.5469 31.9788 174.9396 114 L 4.9570 8.8580 126.9696 53.2969 44.1813 175.2547 115 T 4.9453 8.0292 115.7117 59.3368 70.8838 174.6994 116 V 3.9135 8.5366 125.9267 62.7039 32.3929 176.1804 116A L 3.9629 9.1035 123.2833 55.4856 42.2929 174.4317 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 V 8.05 3.48 2.02 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 1.07 0.00 0.00 0.90 0.00 0.00 2 T 8.56 3.08 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 1.22 0.00 0.00 3 L 8.44 4.69 0.00 1.54 1.73 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.89 5.00 0.00 1.53 1.58 0.87 0.76 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 5 E 8.93 4.47 0.00 2.05 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 2.24 2.29 0.00 6 Q 8.76 5.21 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 7 N 8.58 5.39 0.00 2.77 2.67 0.00 0.00 6.40 7.91 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 8 P 0.00 4.80 0.00 2.36 2.11 0.00 3.75 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 1.96 1.91 0.00 9 R 8.48 4.57 0.00 2.00 2.06 0.00 3.21 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 10 W 7.98 5.65 0.00 3.30 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 11 R 7.45 4.06 0.00 1.71 1.38 0.00 2.99 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 12 L 7.83 4.91 0.00 1.33 1.39 1.04 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.14 4.34 1.95 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 0.78 0.00 0.00 0.85 0.00 0.00 14 P 0.00 4.56 0.00 2.20 2.22 0.00 3.65 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 2.02 1.92 0.00 15 R 8.79 3.86 0.00 1.90 2.10 0.00 3.00 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 16 G 7.90 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.07 4.39 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 18 A 8.07 4.82 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 19 V 8.65 4.37 1.99 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 0.93 0.00 0.00 0.83 0.00 0.00 20 N 8.46 5.28 0.00 2.54 2.70 0.00 0.00 6.96 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 21 L 9.07 4.63 0.00 1.40 1.57 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.34 5.32 0.00 1.90 2.03 0.00 2.74 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 23 C 9.72 5.24 0.00 2.78 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 24 I 8.52 4.91 1.89 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 1.15 1.08 0.92 0.00 0.00 25 L 9.40 4.16 0.00 1.54 1.61 1.06 0.71 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 26 K 10.09 4.21 0.00 1.84 1.84 0.00 1.86 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.39 7.81 27 N 7.91 4.55 0.00 2.78 2.86 0.00 0.00 6.92 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 28 S 8.51 4.30 0.00 3.84 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 29 Q 9.35 4.04 0.00 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.93 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 30 Y 6.72 5.10 0.00 3.06 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 30A P 0.00 4.24 0.00 1.71 1.94 0.00 4.00 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 31 W 8.23 4.30 0.00 3.55 3.29 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 32 M 9.09 5.30 0.00 1.78 1.85 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 33 S 8.85 5.40 0.00 4.05 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 0.00 34 W 9.25 5.89 0.00 3.31 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 35 Y 10.08 5.34 0.00 3.37 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 36 Q 9.16 5.16 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 37 Q 9.33 5.17 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 38 D 8.66 5.09 0.00 3.01 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 39 L 8.51 4.15 0.00 1.67 1.82 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.27 4.36 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.15 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 41 K 8.48 4.13 0.00 1.92 2.06 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.40 7.81 42 Q 8.11 4.46 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 7.07 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 43 L 8.53 4.92 0.00 1.57 1.72 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.18 4.63 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 45 W 8.93 3.11 0.00 2.71 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 46 L 7.73 3.68 0.00 1.20 0.59 0.52 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.84 4.30 0.00 2.94 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 48 T 8.77 5.28 4.77 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 1.65 0.00 0.00 49 L 9.60 4.92 0.00 1.60 1.54 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.64 3.67 0.00 0.67 1.16 0.00 2.92 0.00 0.00 2.82 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 51 S 7.63 4.70 0.00 3.89 3.77 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 52 P 0.00 4.56 0.00 2.02 2.01 0.00 3.60 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 2.08 2.10 0.00 53 G 8.60 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 0.00 0.00 0.00 54 D 7.83 4.71 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 5.10 0.00 1.65 1.68 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.42 7.81 56 E 9.06 4.80 0.00 2.06 1.99 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 2.35 2.42 0.00 57 V 8.52 5.31 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 1.10 0.00 0.00 0.99 0.00 0.00 58 K 8.98 4.79 0.00 1.54 1.25 0.00 0.91 0.00 0.00 1.53 0.00 0.00 2.45 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.29 7.81 59 S 8.80 5.25 0.00 3.99 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 60 L 8.94 4.70 0.00 1.75 1.57 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.32 0.00 2.04 2.03 0.00 3.65 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 2.03 2.09 0.00 62 G 9.56 4.54 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 0.00 0.00 0.00 63 A 8.03 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.12 5.06 0.00 2.68 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 65 Y 8.67 5.25 0.00 3.35 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 66 L 8.62 4.71 0.00 1.71 1.47 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.05 5.15 0.22 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 T 8.85 4.91 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 1.16 0.00 0.00 69 R 9.06 4.49 0.00 1.88 1.95 0.00 3.31 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 70 V 8.61 3.68 2.08 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 0.83 0.00 0.00 0.94 0.00 0.00 71 T 7.19 4.55 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 1.26 0.00 0.00 72 D 8.63 4.48 0.00 2.65 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 73 T 7.66 4.63 4.33 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 1.23 0.00 0.00 74 E 8.26 5.31 0.00 1.99 1.90 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 2.23 2.26 0.00 75 L 8.94 5.09 0.00 1.61 1.33 0.96 -0.15 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 76 R 9.49 5.36 0.00 1.90 1.83 0.00 3.15 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 77 L 8.79 4.96 0.00 0.47 0.55 0.69 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 9.04 5.06 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 79 V 8.78 4.61 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 0.73 0.00 0.00 0.71 0.00 0.00 80 A 8.20 4.72 1.15 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 81 N 8.68 3.78 0.00 2.72 2.78 0.00 0.00 6.84 7.66 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 82 M 8.04 4.89 0.00 1.87 1.88 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 83 S 8.40 4.18 0.00 4.01 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 84 Q 7.53 4.65 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 85 G 8.42 4.32 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 0.00 86 R 8.20 4.91 0.00 1.90 2.02 0.00 2.90 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 87 T 8.56 4.94 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 1.29 0.00 0.00 *90 L 8.39 4.73 0.00 1.61 1.59 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.73 5.36 0.00 3.32 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 92 C 9.30 5.29 0.00 2.35 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 93 T 8.31 4.88 3.98 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 0.53 0.00 0.00 94 C 8.57 5.97 0.00 3.25 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 95 S 8.55 4.70 0.00 4.33 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 96 A 9.45 4.32 1.65 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 0.00 0.00 97 A 7.76 4.75 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 98 P 0.00 3.87 0.00 1.63 1.63 0.00 3.19 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.44 0.00 99 D 7.60 4.89 0.00 2.77 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 0.00 100 W 7.75 5.23 0.00 3.24 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 0.00 101 G 7.19 4.13 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 0.00 0.00 0.00 102 A 7.80 3.68 0.39 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 0.00 103 S 7.74 4.77 0.00 4.14 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 0.00 104 A 7.04 4.62 1.01 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 0.00 0.00 105 E 7.96 2.00 0.00 1.27 1.56 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 2.02 1.93 0.00 105A T 6.76 4.43 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 1.08 0.00 0.00 106 L 8.21 3.80 0.00 1.46 1.29 0.79 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.06 4.46 0.00 2.77 2.63 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 0.00 108 F 7.86 4.44 0.00 2.57 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 0.00 0.00 0.00 0.00 109 G 8.38 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 0.00 110 S 8.97 4.30 0.00 4.10 4.11 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 0.00 111 G 8.27 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 0.00 112 T 8.22 4.74 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 1.22 0.00 0.00 113 R 8.89 4.44 0.00 2.04 2.15 0.00 3.25 0.00 0.00 3.63 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 114 L 8.86 4.96 0.00 1.64 1.44 0.83 0.16 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 0.00 115 T 8.03 4.95 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 1.51 0.00 0.00 116 V 8.54 3.91 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 0.71 0.00 0.00 0.90 0.00 0.00 116A L 9.10 3.96 0.00 1.63 1.62 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.