NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *10 F 4.6131 8.3131 119.0077 55.7351 40.7934 174.3333 11 G 3.9533 8.5310 109.5052 44.0869 0.0000 171.5716 12 K 4.7356 8.7861 127.3662 53.6627 35.0545 172.6787 13 K 4.3903 8.6570 124.0419 54.4116 33.3217 178.1861 14 K 4.1502 9.6247 132.7584 56.0217 28.8033 175.7003 15 S 4.5650 8.6454 115.3226 57.8921 60.8028 170.9238 16 A 4.7547 7.6358 122.5618 52.5195 22.2993 176.6783 17 T 4.8242 8.0406 110.7991 60.5859 73.0020 170.8956 18 A 5.0802 9.4256 131.5670 49.8328 21.7764 176.0279 19 V 4.6370 8.2294 121.1932 59.9775 33.5658 172.5594 20 A 4.6856 8.6714 128.2986 50.8218 20.6686 176.4487 *21 H 4.8505 8.9210 123.8720 54.0948 30.1151 172.3642 22 V 4.3578 8.3598 124.9497 60.1043 34.8889 172.3365 23 K 4.4934 8.6901 127.7702 53.4234 35.0139 171.0567 24 A 4.1370 8.8887 127.6970 51.0967 18.7643 175.9074 25 G 3.8526 8.7811 114.1381 46.5779 0.0000 174.7974 26 K 4.7447 8.7966 131.3631 54.9793 35.4068 172.9330 27 G 3.8083 8.7884 111.0314 48.6974 0.0000 173.3180 28 L 3.3728 8.4579 114.2690 56.0291 36.8975 169.0806 29 I 4.3327 7.6449 124.3004 59.2424 36.2763 174.4287 30 K 4.5542 8.6014 134.5933 54.6612 32.4521 174.9631 31 V 4.3024 8.4439 126.6337 60.0842 33.4855 172.0893 32 N 4.6263 9.5536 126.7078 49.7770 36.1882 173.0739 33 G 4.8438 7.0068 111.1365 46.6343 0.0000 174.0913 34 S 4.6309 7.8809 122.4366 57.1516 62.7337 178.4418 35 P 4.8159 0.0000 0.0000 63.2402 33.1047 175.9185 36 I 3.9080 8.2558 122.4098 60.8988 35.1013 175.0027 37 T 4.3408 8.5088 117.0081 64.7937 70.3960 181.2136 38 L 4.2332 8.2571 121.6582 54.8522 39.9408 182.5102 39 V 3.3297 8.9838 111.2719 63.3413 28.1013 174.4306 40 E 4.4130 8.2054 119.9558 56.1696 30.9742 177.0317 41 P 4.8033 0.0000 0.0000 63.0591 31.2066 183.4980 42 E 4.2480 8.7231 122.1614 57.0089 30.4384 183.7962 43 I 3.0826 9.9303 116.4621 62.3893 35.7495 179.3565 44 L 4.4458 9.0392 119.0067 55.7162 39.3020 180.6046 45 R 4.2425 7.7350 122.3710 58.7212 30.8637 180.4142 *46 F 4.4727 7.8975 118.0511 58.4328 38.8445 182.0754 47 K 3.6348 8.8461 117.4087 58.2540 30.2885 173.1817 48 V 4.3570 8.3848 119.0825 66.4083 33.0358 183.1913 *49 Y 4.5132 7.7352 120.4728 60.5514 36.7389 179.6050 50 E 4.8337 8.2323 120.9015 59.2917 30.3927 181.5193 51 P 4.5811 0.0000 0.0000 68.5761 31.1454 183.9471 52 L 4.2901 7.9170 123.2125 59.7917 41.0763 181.3490 53 L 4.4217 8.1609 125.9415 59.9293 40.6913 181.7149 54 L 3.7307 7.6705 124.8239 59.9414 41.0043 181.9244 55 V 4.1984 7.7671 118.2810 64.8492 31.8713 179.8977 56 G 4.4522 8.8984 109.0862 47.1376 0.0000 173.3505 57 L 5.2574 7.9057 135.0000 56.0996 42.3250 173.2094 58 D 4.8076 8.0527 117.9897 54.8664 47.3800 182.1537 59 K 4.5198 7.7879 122.9553 53.9317 33.5710 178.7854 *60 F 4.7699 8.3382 114.0728 58.6307 40.5927 173.0302 61 S 5.1105 8.3984 123.9919 58.4535 66.0061 183.6552 62 N 4.6464 7.9758 117.6663 52.5109 34.7621 180.0612 63 I 4.5061 7.7318 125.6594 61.8888 36.8602 172.8217 64 D 5.1093 7.0523 135.0000 54.1853 43.5550 180.5160 65 I 4.8145 8.3657 122.7246 61.6541 39.7732 173.7732 66 R 4.4892 8.0954 116.7409 58.7049 32.7799 171.2164 67 V 4.6490 8.2266 124.0928 59.6148 36.9531 172.3662 68 R 4.8165 8.5544 119.2073 57.5998 32.0940 173.1482 69 V 4.8852 9.1294 122.0101 59.3741 36.0727 175.4873 70 T 4.7800 7.8343 123.0121 63.5767 72.5447 170.9714 71 G 3.9388 8.9675 114.5539 44.7914 0.0000 175.2421 72 G 3.8854 8.9627 110.8903 46.7263 0.0000 173.5690 73 G 4.3841 8.2054 115.8722 44.5225 0.0000 171.7264 *74 H 4.3366 8.8434 122.0719 59.0460 27.6052 173.7363 75 V 3.9296 8.7279 125.9611 67.6713 32.0193 180.0882 76 S 4.3656 8.4286 118.9807 64.4454 61.8241 180.7755 77 Q 4.2553 8.8538 125.7393 61.1570 28.0310 182.2580 78 V 3.8941 7.9557 123.8180 67.1709 31.5279 180.6072 *79 Y 4.2816 8.1772 120.7190 61.5942 36.5009 180.4131 80 A 4.2780 8.1246 123.3261 56.0144 18.6342 180.0865 81 I 3.6678 8.2726 120.6628 66.5930 35.2598 180.0068 82 R 4.0506 8.1575 120.2094 62.3972 29.1499 181.1745 83 Q 4.3667 7.8354 114.6730 59.2880 28.8819 182.6133 84 A 3.8264 8.1135 122.7160 55.0993 18.8692 179.8793 85 I 3.6317 7.8103 116.6621 64.8405 34.9160 179.3713 86 A 4.4081 8.5874 126.9100 55.1234 18.8713 178.9326 87 K 4.3279 8.5175 122.6339 56.8076 32.8838 182.5211 88 G 4.1827 7.4838 112.3387 47.0916 0.0000 175.9799 89 L 3.9954 6.8967 124.5639 56.3978 41.3709 182.0875 90 V 4.1165 7.6408 126.7437 61.2293 30.8184 177.7221 91 A 4.6612 8.0349 129.3212 51.7794 20.5960 176.8004 *92 Y 4.5298 7.5128 124.1015 58.0401 41.6110 180.0873 *93 H 5.0533 8.7659 118.1983 55.3348 26.7593 178.3244 94 Q 4.3959 9.1536 122.4297 56.7288 29.4518 179.7280 95 K 4.2102 8.0521 118.6708 56.9747 32.2393 182.7917 *96 Y 4.2606 7.1750 115.6427 60.5772 38.6402 177.9603 97 V 4.7074 8.1331 129.6913 58.4213 29.5886 167.2414 98 D 4.8538 7.5305 120.9993 53.4191 42.9870 180.2545 99 E 4.1757 9.1725 121.8962 56.5351 29.7939 174.3600 100 Q 4.4406 8.4163 115.7025 57.5158 33.2056 179.7970 101 S 3.7315 8.4261 119.5920 59.3860 59.1174 172.3180 102 K 4.3300 7.8377 122.3375 56.1803 32.1772 180.0683 103 N 4.5601 8.1653 117.0905 54.7553 37.1651 181.4230 104 E 3.7001 7.4261 112.7022 61.7465 31.9081 185.0000 105 L 4.1297 8.9878 117.6136 56.3891 42.3385 184.9032 106 K 4.0265 9.7892 120.8123 55.6889 32.9518 180.2171 107 K 4.0102 9.1322 128.0528 58.6638 32.2380 179.9113 108 A 3.9463 9.1938 124.5487 56.1280 18.6294 181.7375 *109 F 4.6120 7.7759 115.3380 57.6020 37.4457 178.6051 110 T 4.3744 8.1183 112.8080 62.6807 71.3997 177.0409 111 S 4.7471 7.7882 119.5365 59.9878 62.5252 178.9352 *112 Y 4.6603 7.4802 120.3769 57.7245 37.5789 179.1459 113 D 5.1338 7.9287 121.2906 53.2787 43.5795 179.0160 114 R 4.5618 8.2956 113.5178 59.1997 33.3612 174.5732 115 T 4.4176 7.6853 111.0486 64.1557 70.0326 182.9717 116 L 4.2296 7.8310 124.0617 57.0602 41.7100 180.8339 117 L 4.2477 7.2985 118.0559 55.2994 39.5522 182.7815 118 I 3.1974 7.3865 119.8423 59.7436 34.8778 174.3024 119 A 4.6713 8.2841 121.8673 52.8243 21.2358 176.3487 120 D 4.7764 8.2844 120.2311 52.7814 40.9845 177.2039 121 S 4.4205 8.7603 119.8749 58.7041 62.0132 172.8320 122 R 4.3953 7.8273 121.9559 57.2801 30.0468 181.2494 123 R 4.3734 8.3671 117.4058 54.9232 33.1085 173.0800 124 P 4.3157 0.0000 0.0000 61.9541 31.3081 173.3379 125 E 4.8128 8.9087 116.6347 57.1307 34.8277 169.5456 126 P 4.2024 0.0000 0.0000 64.0903 31.5094 169.8548 127 K 4.6611 8.1918 128.9029 53.2641 33.4297 173.2823 128 K 4.3917 8.5172 118.1568 55.8876 35.2761 173.1178 *129 F 4.4551 8.7135 123.1642 56.1656 37.6867 172.6090 130 G 4.1862 7.9198 124.6662 45.3338 0.0000 174.4460 131 G 4.0469 8.7494 113.3816 45.2741 0.0000 175.2793 132 K 3.9270 8.9487 125.2952 58.1910 31.4473 174.9147 133 G 3.6811 8.5795 102.8623 44.4165 0.0000 173.3492 134 A 3.6405 9.1792 128.3613 53.1664 16.5942 179.4875 135 R 4.3845 8.9227 116.6986 56.7005 33.4854 178.8158 136 S 4.3241 8.0864 118.1256 59.1661 60.7224 175.1703 137 R 4.8057 8.1625 126.7777 54.2281 30.7524 176.0355 *138 F 3.9651 8.7974 123.0708 56.9834 38.4655 174.4248 139 Q 4.4114 8.5509 122.6110 54.7091 27.2673 176.8326 140 K 4.8113 8.3989 127.3799 52.8829 35.1895 174.8754 141 S 4.7523 8.3420 119.4291 56.8894 63.2465 174.5446 *142 Y 4.1245 8.0047 121.9670 58.5637 37.4247 179.7400 143 R 4.3299 8.4391 119.6697 55.9163 30.0628 175.3872 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 *10 F 8.31 4.61 0.00 2.32 2.27 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 11 G 8.53 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 12 K 8.79 4.74 0.00 1.78 1.59 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 0.98 7.81 13 K 8.66 4.39 0.00 1.55 1.67 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.24 7.81 14 K 9.62 4.15 0.00 1.93 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 0.98 7.81 15 S 8.65 4.56 0.00 3.67 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 0.00 16 A 7.64 4.75 1.33 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 0.00 0.00 17 T 8.04 4.82 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 18 A 9.43 5.08 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 19 V 8.23 4.64 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 0.72 0.00 0.00 0.93 0.00 0.00 20 A 8.67 4.69 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 *21 H 8.92 4.85 0.00 2.69 2.85 0.00 7.15 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.36 4.36 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 0.88 0.00 0.00 0.93 0.00 0.00 23 K 8.69 4.49 0.00 1.51 1.60 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.10 0.81 7.81 24 A 8.89 4.14 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 25 G 8.78 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 0.00 0.00 0.00 26 K 8.80 4.74 0.00 1.50 1.42 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.97 7.81 27 G 8.79 3.81 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 0.00 0.00 0.00 28 L 8.46 3.37 0.00 1.77 1.52 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.64 4.33 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 1.20 0.58 0.91 0.00 0.00 30 K 8.60 4.55 0.00 1.54 1.63 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.35 1.01 7.81 31 V 8.44 4.30 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 0.94 0.00 0.00 0.93 0.00 0.00 32 N 9.55 4.63 0.00 2.92 2.83 0.00 0.00 6.67 7.51 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 33 G 7.01 4.84 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 0.00 0.00 0.00 34 S 7.88 4.63 0.00 3.57 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 35 P 0.00 4.82 0.00 1.93 1.91 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.41 0.00 36 I 8.26 3.91 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 1.16 1.10 0.91 0.00 0.00 37 T 8.51 4.34 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 38 L 8.26 4.23 0.00 1.66 0.99 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.98 3.33 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 0.93 0.00 0.00 40 E 8.21 4.41 0.00 1.98 1.87 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 2.18 1.86 0.00 41 P 0.00 4.80 0.00 2.08 1.94 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 42 E 8.72 4.25 0.00 1.98 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 2.23 1.88 0.00 43 I 9.93 3.08 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 1.27 1.00 0.91 0.00 0.00 44 L 9.04 4.45 0.00 1.66 1.55 0.92 0.75 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 45 R 7.73 4.24 0.00 1.73 1.96 0.00 3.22 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *46 F 7.90 4.47 0.00 2.20 2.21 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 47 K 8.85 3.63 0.00 1.91 1.79 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.98 7.81 48 V 8.38 4.36 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 0.74 0.00 0.00 0.93 0.00 0.00 *49 Y 7.74 4.51 0.00 2.15 2.31 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 50 E 8.23 4.83 0.00 2.00 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 0.00 2.16 2.17 0.00 51 P 0.00 4.58 0.00 2.07 2.06 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.64 0.00 52 L 7.92 4.29 0.00 1.74 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.16 4.42 0.00 1.65 1.70 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.67 3.73 0.00 1.76 1.64 0.92 0.93 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 55 V 7.77 4.20 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 0.73 0.00 0.00 0.93 0.00 0.00 56 G 8.90 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 0.00 0.00 0.00 0.00 57 L 7.91 5.26 0.00 1.71 1.58 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.05 4.81 0.00 2.66 2.48 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 0.00 0.00 0.00 0.00 59 K 7.79 4.52 0.00 1.76 1.65 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 0.99 7.81 *60 F 8.34 4.77 0.00 2.24 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 0.00 0.00 0.00 61 S 8.40 5.11 0.00 3.61 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 62 N 7.98 4.65 0.00 2.89 2.13 0.00 0.00 6.51 7.72 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 63 I 7.73 4.51 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 1.27 0.33 0.91 0.00 0.00 64 D 7.05 5.11 0.00 2.39 1.54 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 65 I 8.37 4.81 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 1.20 1.23 0.91 0.00 0.00 66 R 8.10 4.49 0.00 1.52 1.66 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.11 0.00 67 V 8.23 4.65 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 0.70 0.00 0.00 0.93 0.00 0.00 68 R 8.55 4.82 0.00 1.48 1.80 0.00 3.15 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.17 0.00 69 V 9.13 4.89 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 0.89 0.00 0.00 0.93 0.00 0.00 70 T 7.83 4.78 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 71 G 8.97 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 0.00 0.00 0.00 72 G 8.96 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 73 G 8.21 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 *74 H 8.84 4.34 0.00 2.93 2.86 0.00 7.22 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.73 3.93 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 0.75 0.00 0.00 0.93 0.00 0.00 76 S 8.43 4.37 0.00 3.72 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 77 Q 8.85 4.26 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 78 V 7.96 3.89 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 0.71 0.00 0.00 0.93 0.00 0.00 *79 Y 8.18 4.28 0.00 2.32 2.35 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 80 A 8.12 4.28 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 81 I 8.27 3.67 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 1.38 0.70 0.91 0.00 0.00 82 R 8.16 4.05 0.00 1.92 1.73 0.00 3.27 0.00 0.00 3.26 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 83 Q 7.84 4.37 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 84 A 8.11 3.83 1.38 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 85 I 7.81 3.63 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 1.45 0.70 0.91 0.00 0.00 86 A 8.59 4.41 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 87 K 8.52 4.33 0.00 1.82 1.69 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.32 7.81 88 G 7.48 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 0.00 0.00 0.00 0.00 89 L 6.90 4.00 0.00 1.58 1.53 0.92 0.85 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 90 V 7.64 4.12 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 0.88 0.00 0.00 0.93 0.00 0.00 91 A 8.03 4.66 1.35 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 *92 Y 7.51 4.53 0.00 2.31 2.15 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 *93 H 8.77 5.05 0.00 2.92 2.71 0.00 7.05 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 94 Q 9.15 4.40 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.03 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 95 K 8.05 4.21 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *96 Y 7.17 4.26 0.00 2.17 2.15 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 97 V 8.13 4.71 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 0.93 0.00 0.00 0.93 0.00 0.00 98 D 7.53 4.85 0.00 2.61 2.56 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 0.00 0.00 0.00 99 E 9.17 4.18 0.00 1.98 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 2.23 1.88 0.00 100 Q 8.42 4.44 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.56 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 101 S 8.43 3.73 0.00 3.76 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 0.00 102 K 7.84 4.33 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.00 7.81 103 N 8.17 4.56 0.00 2.74 2.75 0.00 0.00 6.60 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 0.00 104 E 7.43 3.70 0.00 1.99 1.76 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 2.27 2.17 0.00 105 L 8.99 4.13 0.00 1.56 1.25 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.79 4.03 0.00 1.76 1.48 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.00 7.81 107 K 9.13 4.01 0.00 1.67 1.89 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.06 7.81 108 A 9.19 3.95 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 *109 F 7.78 4.61 0.00 2.35 2.18 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 0.00 110 T 8.12 4.37 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 0.00 111 S 7.79 4.75 0.00 3.44 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 *112 Y 7.48 4.66 0.00 2.28 2.12 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 0.00 113 D 7.93 5.13 0.00 2.64 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 0.00 114 R 8.30 4.56 0.00 1.77 1.77 0.00 3.21 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 0.00 115 T 7.69 4.42 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 0.00 116 L 7.83 4.23 0.00 1.66 1.62 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.30 4.25 0.00 1.66 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.39 3.20 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 1.35 0.99 0.91 0.00 0.00 119 A 8.28 4.67 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.78 0.00 2.61 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.76 4.42 0.00 3.62 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 0.00 122 R 7.83 4.40 0.00 1.84 1.73 0.00 3.27 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 123 R 8.37 4.37 0.00 1.76 1.67 0.00 3.26 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.00 124 P 0.00 4.32 0.00 2.08 1.90 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 125 E 8.91 4.81 0.00 2.00 1.80 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 1.98 1.63 0.00 126 P 0.00 4.20 0.00 2.24 1.94 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.56 0.00 127 K 8.19 4.66 0.00 1.70 1.43 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 0.97 7.81 128 K 8.52 4.39 0.00 1.71 1.54 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 0.95 7.81 *129 F 8.71 4.46 0.00 2.29 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 0.00 0.00 0.00 130 G 7.92 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 0.00 131 G 8.75 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.95 3.93 0.00 1.78 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.06 7.81 133 G 8.58 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 0.00 0.00 0.00 134 A 9.18 3.64 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 0.00 135 R 8.92 4.38 0.00 1.79 1.78 0.00 3.28 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 136 S 8.09 4.32 0.00 3.65 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 0.00 137 R 8.16 4.81 0.00 1.82 1.73 0.00 3.27 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.18 0.00 *138 F 8.80 3.97 0.00 2.29 2.15 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 0.00 139 Q 8.55 4.41 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.70 0.00 0.00 0.00 0.00 0.00 2.23 1.91 0.00 140 K 8.40 4.81 0.00 1.73 1.56 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.24 0.95 7.81 141 S 8.34 4.75 0.00 3.56 3.66 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 *142 Y 8.00 4.12 0.00 2.32 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 0.00 0.00 0.00 0.00 143 R 8.44 4.33 0.00 1.80 1.69 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 * Residues marked with a * may have inaccurate shift predictions.