NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A S 4.4575 8.1927 117.0966 57.6042 65.5629 175.0370 1 M 3.7748 8.1592 117.8030 58.4977 32.4124 177.0047 2 A 3.9338 8.7323 121.7270 55.1909 19.0010 179.1151 3 S 4.0001 7.8581 113.0147 61.8177 62.9260 176.3957 4 N 4.1911 8.5749 119.0364 56.2660 38.3728 176.9363 5 A 3.8333 8.0117 121.8770 55.5031 18.3561 179.4370 6 A 3.9610 7.9984 118.8085 55.2774 18.3594 179.8618 7 R 3.7057 7.8347 117.0413 59.4954 30.2425 178.6487 8 V 3.6063 7.9502 118.2471 66.1380 31.4987 177.9177 9 V 3.5295 8.2479 117.8001 66.1035 31.0975 177.6596 10 A 4.0053 7.9197 118.9492 55.5430 18.6100 179.3801 11 T 4.0721 8.4865 114.2445 66.7540 68.6096 176.4547 12 A 4.0956 8.4745 122.9867 55.4974 18.2921 179.8072 13 K 3.9520 8.2624 116.7048 59.8513 31.9255 179.3203 14 D 4.3839 8.1089 118.9001 57.2225 40.6953 178.5551 15 F 4.1750 8.5288 117.9922 59.9227 38.4402 177.6230 16 D 4.4473 8.0448 118.6937 56.9660 40.4806 178.3788 17 K 3.9886 7.6809 119.6361 59.4259 32.2935 178.8305 18 V 3.7720 7.3150 117.8430 66.2801 31.6046 175.5237 19 G 3.4924 7.3847 109.2126 45.7425 0.0000 175.0220 20 L 4.5425 7.8410 122.8879 54.0720 39.2890 177.2581 21 G 3.6646 8.1507 109.9102 47.2443 0.0000 172.6621 22 I 3.6326 7.6846 121.7534 64.3116 37.3485 178.3164 23 I 3.7467 7.7409 120.2910 64.3700 36.9793 178.5381 24 G 3.7101 7.8026 107.6114 47.1609 0.0000 174.9686 25 Y 3.7365 7.5419 121.6171 60.8817 38.8388 177.7488 26 Y 4.1158 7.5214 117.3718 60.8040 37.8238 178.8624 27 L 4.0749 7.7739 120.0877 57.7799 41.7051 179.3894 28 Q 3.8168 7.7931 117.5859 58.7431 28.5205 178.6954 29 L 3.8211 7.5925 119.9944 57.8862 41.6400 178.9294 30 Y 4.0953 7.9455 118.9896 60.6437 38.6588 177.7413 31 A 3.6537 8.6565 122.7580 55.1475 18.3892 179.6466 32 V 3.4169 8.0287 116.8259 66.3076 31.4257 177.8135 33 E 3.9525 8.0663 117.5294 59.1015 29.6193 178.7040 34 L 3.9236 7.6595 119.1432 57.7506 41.8647 179.3072 35 I 3.6861 7.7779 119.9488 64.2484 36.8203 177.6668 36 L 4.4016 7.8837 116.7202 55.4450 41.5177 178.6292 37 S 4.3995 7.8417 116.9140 59.5350 62.9849 174.1575 38 E 4.3666 7.1467 120.5265 55.0613 29.8801 176.3370 39 E 3.9941 8.9517 124.2710 58.5475 29.7349 176.4559 40 D 4.7672 7.9312 118.4741 52.3304 41.6923 174.9474 41 R 4.6713 8.0205 119.6190 53.2088 32.7273 176.2239 42 S 4.3776 8.1661 113.5103 58.0991 64.9787 175.3764 43 Q 3.9349 8.4232 120.8928 59.2215 28.4544 178.5234 44 E 3.9132 8.2459 119.0824 59.8993 29.4037 179.3882 45 M 4.0191 7.6871 117.1803 58.8245 32.0402 179.0433 46 T 3.8922 7.8856 115.4691 66.4584 68.4649 176.7151 47 A 3.9882 8.7322 123.3143 54.9299 18.3740 179.4798 48 L 3.8655 8.1768 119.0895 57.9816 42.0934 178.9416 49 A 3.9450 8.2673 121.2521 55.4324 18.2490 179.7136 50 T 3.7601 8.0078 114.1325 66.7496 68.5081 176.1641 51 E 3.9063 8.3538 121.4546 59.5800 29.5509 178.9516 52 L 3.9822 8.4194 118.8996 57.8013 41.5986 179.5457 53 L 3.9892 8.1050 118.9121 58.0238 41.5276 179.2556 54 D 4.2483 8.3754 118.9500 57.6403 40.6720 179.2651 55 T 3.9281 7.7100 115.8350 66.8465 68.3724 177.0045 56 I 4.0545 8.2130 120.5734 64.2772 37.3131 177.9741 57 E 4.1158 9.0425 120.6418 59.2310 29.4489 178.4756 58 A 3.9928 8.1952 120.9539 55.4085 18.2499 179.1828 59 F 4.0704 8.7368 119.3464 61.6260 39.1142 177.5389 60 K 3.7655 7.7196 116.6816 59.1765 31.8833 179.1261 61 K 4.0410 7.5780 117.9783 59.4712 32.0344 178.6962 62 E 3.9709 7.8600 118.0784 58.0284 29.8392 176.8974 63 I 3.9249 6.4372 118.7622 59.7033 38.2948 176.2433 64 G 3.4090 8.0778 110.1027 48.4327 0.0000 174.8461 *76 L 4.1093 7.6787 121.6044 54.5538 43.2101 177.3963 77 H 4.4579 8.7750 120.7104 57.1907 29.5405 176.2536 78 V 4.0940 7.5550 113.2922 63.1139 32.8573 176.9499 79 M 4.3638 7.6328 115.7810 55.1764 31.8788 177.2684 80 N 4.4089 8.1698 117.9185 54.8613 37.6423 176.4786 81 T 4.0656 7.7764 112.3093 63.4161 67.4658 173.9737 82 L 4.3407 7.5722 121.8666 57.9772 42.5238 177.6801 83 I 4.1419 7.5933 117.8535 63.2670 37.2031 176.2248 84 H 4.9649 8.1384 115.2147 55.1412 29.5514 172.9451 85 D 4.7894 7.8905 119.5683 51.8737 42.9510 176.2144 86 Q 4.0665 8.7273 126.1732 58.1179 28.5351 178.0898 87 E 3.7579 8.0183 119.6181 58.8022 30.2261 178.0581 88 K 3.9849 8.5183 118.4823 59.4793 32.1976 178.8645 89 A 3.9978 7.7396 120.9334 55.4716 18.1011 179.6602 90 K 2.8070 6.5871 116.2104 59.0779 31.9639 178.9777 91 I 3.6084 7.5376 120.3431 64.6328 36.8293 177.8344 92 Y 4.1322 7.9522 119.5829 60.4989 38.6424 177.8718 93 M 3.8822 7.8424 119.5423 58.4184 32.3152 177.9303 94 L 3.9519 8.1720 120.9065 58.0267 42.2701 177.9229 95 N 4.5145 8.2704 117.2999 56.9330 38.9248 176.1927 96 F 3.9016 7.6777 121.1157 61.7116 39.3991 177.2433 97 T 3.7507 8.0075 115.0116 66.9174 68.3627 176.6105 98 M 4.2484 8.9386 122.0175 58.3386 31.9367 178.9084 99 S 4.0495 8.1913 114.4184 61.4991 63.2568 176.0240 100 L 3.7840 7.5176 124.6110 57.7155 41.1846 178.4473 101 Y 4.2641 8.2678 119.3187 60.7586 38.7473 177.9131 102 N 4.0980 8.0963 116.9096 56.1906 38.7242 176.7352 103 E 3.8192 7.9754 120.6942 59.5899 29.7537 179.2288 104 K 3.9424 8.0363 118.0291 59.2649 31.7869 179.4012 105 L 3.8261 7.3048 118.8091 57.3943 41.6462 179.4450 106 K 3.9890 7.8910 118.4599 59.6163 31.1267 179.0117 107 Q 3.5524 7.9773 119.6544 59.3945 28.4750 178.9219 108 L 4.1453 7.2771 118.6596 57.7807 41.5869 178.9695 109 K 4.2861 8.5482 118.9922 57.9865 32.1969 178.1307 110 D 4.8192 7.6486 118.5956 54.5788 40.9279 177.0262 111 G 3.6170 6.3008 105.2934 43.4081 0.0000 171.0216 112 P 3.9204 0.0000 0.0000 62.4658 32.2760 177.0831 113 W 4.5781 8.6235 120.6405 55.5191 27.9789 174.1747 114 D 4.9088 7.2703 120.1772 51.8163 42.3257 177.5751 115 V 3.6345 8.5056 116.9754 66.7082 31.2390 177.5194 116 M 3.9509 8.3264 117.3396 58.9923 31.9487 177.6626 117 L 4.0574 8.0324 119.4899 58.1908 42.1662 178.9596 118 K 4.0728 7.7885 117.5462 59.6643 32.1417 179.3066 119 R 4.1500 8.5305 118.6156 59.6618 29.9720 179.3199 120 S 4.2284 8.7199 115.0225 61.7502 62.8802 176.7700 121 L 4.1095 8.1121 121.5939 57.7173 41.2918 179.7219 122 W 4.2357 8.3799 118.8382 59.6116 28.9682 178.1811 123 C 4.2968 8.4571 118.8357 62.8585 31.0614 175.3676 124 C 4.0328 8.4317 118.3828 62.8890 27.6717 176.1981 125 I 3.8565 7.8840 121.2746 64.5833 36.6528 178.3073 126 D 4.4987 8.5213 119.6450 57.3700 40.7297 178.6788 127 L 3.8800 8.3202 119.8643 58.0384 41.6501 179.7617 128 F 4.4419 8.4189 117.9208 60.7535 38.7989 177.9983 129 S 4.1592 8.3433 114.9956 61.3781 62.6092 176.2139 130 C 2.5590 8.1312 122.1391 61.7676 31.1809 175.7876 131 I 3.7168 7.5930 121.3676 64.5011 36.5948 178.3702 132 L 4.0246 7.5588 118.3349 58.0203 41.4363 178.9992 133 H 4.2354 7.8757 117.3551 59.2482 30.0423 176.9236 134 L 3.7458 7.3106 119.7257 56.2957 41.9668 177.9375 135 W 5.0491 7.7602 118.3932 55.9400 29.8479 177.5711 136 K 3.9955 8.1471 121.4539 59.5694 32.1106 177.3308 137 E 4.5646 8.1232 115.7011 56.6450 29.1318 176.3231 138 N 5.0180 8.2506 113.4372 52.5420 40.5734 173.9405 139 I 4.4415 7.3765 119.1520 58.9426 39.2341 176.4361 140 S 4.2741 8.5908 120.5645 58.6493 64.4141 175.0096 141 E 3.9410 8.6931 122.7650 59.6936 29.3628 179.3432 142 T 3.8825 7.7928 115.3069 66.8673 68.6521 176.6789 143 S 4.1448 7.9844 116.8082 61.7309 62.6652 176.9384 144 T 3.8353 7.8399 118.4646 66.7085 68.1731 176.3577 145 N 4.4156 7.8274 118.2940 56.3797 38.4294 177.3772 146 S 3.9894 7.9993 114.4978 61.2718 62.4159 176.3146 147 L 3.4899 8.1881 121.9646 57.8564 41.4062 179.4933 148 Q 3.9368 8.2077 118.2087 58.6167 28.5414 179.0493 149 K 3.9513 8.0732 120.8540 59.6192 32.2958 179.1611 150 R 3.9557 7.2260 119.6913 58.5118 29.7633 179.1346 151 I 3.6652 7.3630 119.6064 64.1527 37.0453 178.1741 152 K 3.8050 8.0640 120.3729 60.0163 32.0489 178.2059 153 Y 3.6687 8.6830 117.0522 61.2433 37.6442 178.8063 154 C 4.3448 8.2007 117.6131 62.7054 28.2470 175.9630 155 K 3.6645 7.9010 119.9859 59.5581 31.6705 178.9523 156 I 3.5353 7.7291 119.9715 64.9840 36.9842 178.0111 157 Y 4.3893 7.5797 116.9407 61.1472 37.7045 178.6596 158 L 4.0209 8.1942 120.0178 58.0048 41.8189 179.6513 159 S 4.1568 8.1121 114.9407 61.7513 62.8166 177.0776 160 K 4.0410 8.0326 120.9751 59.4729 31.5881 179.4774 161 L 4.0702 8.1747 118.2791 57.4647 41.5111 179.2555 162 A 4.1889 7.5738 119.8985 55.1721 18.5265 179.6470 163 K 4.1270 7.7508 115.3445 57.6661 31.6289 178.5678 164 G 3.9423 8.2255 106.9296 45.0446 0.0000 174.7735 165 E 4.0530 7.9644 120.8240 58.1374 29.9397 177.4556 166 I 4.1270 7.0423 114.1509 61.9430 39.7796 175.6352 167 G 3.7435 7.9913 112.2999 45.7915 0.0000 172.9571 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 1A S 8.19 4.46 0.00 3.67 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 1 M 8.16 3.77 0.00 2.08 2.08 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 2.62 2.53 0.00 2 A 8.73 3.93 1.29 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 3 S 7.86 4.00 0.00 3.88 3.86 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 4 N 8.57 4.19 0.00 2.61 2.83 0.00 0.00 6.96 7.61 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 5 A 8.01 3.83 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 6 A 8.00 3.96 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 7 R 7.83 3.71 0.00 1.85 2.02 0.00 2.79 0.00 0.00 2.52 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 8 V 7.95 3.61 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 1.05 0.00 0.00 1.06 0.00 0.00 9 V 8.25 3.53 2.24 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 0.94 0.00 0.00 0.90 0.00 0.00 10 A 7.92 4.01 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 11 T 8.49 4.07 4.52 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 1.62 0.00 0.00 12 A 8.47 4.10 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 13 K 8.26 3.95 0.00 1.99 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.78 7.81 14 D 8.11 4.38 0.00 2.99 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 15 F 8.53 4.18 0.00 3.28 3.30 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 16 D 8.04 4.45 0.00 2.87 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 17 K 7.68 3.99 0.00 1.86 1.83 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 18 V 7.31 3.77 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 0.88 0.00 0.00 0.84 0.00 0.00 19 G 7.38 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 0.00 0.00 0.00 20 L 7.84 4.54 0.00 1.96 1.65 1.12 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.15 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 0.00 0.00 0.00 22 I 7.68 3.63 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 1.18 0.00 0.00 23 I 7.74 3.75 1.41 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.59 -0.25 0.00 0.00 24 G 7.80 3.71 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 0.00 0.00 0.00 25 Y 7.54 3.74 0.00 2.05 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 26 Y 7.52 4.12 0.00 3.15 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 27 L 7.77 4.07 0.00 1.82 1.72 0.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.79 3.82 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 29 L 7.59 3.82 0.00 1.73 1.60 0.80 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 7.95 4.10 0.00 2.91 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 31 A 8.66 3.65 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 32 V 8.03 3.42 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 1.01 0.00 0.00 0.94 0.00 0.00 33 E 8.07 3.95 0.00 2.16 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 2.44 2.37 0.00 34 L 7.66 3.92 0.00 1.66 1.45 0.32 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.78 3.69 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.99 0.92 0.00 0.00 36 L 7.88 4.40 0.00 1.56 1.67 0.90 0.76 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 37 S 7.84 4.40 0.00 3.97 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 38 E 7.15 4.37 0.00 2.00 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 2.28 2.39 0.00 39 E 8.95 3.99 0.00 1.93 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 2.39 0.00 40 D 7.93 4.77 0.00 2.61 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 41 R 8.02 4.67 0.00 1.84 1.86 0.00 3.01 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 42 S 8.17 4.38 0.00 4.05 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 43 Q 8.42 3.93 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 44 E 8.25 3.91 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 45 M 7.69 4.02 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 46 T 7.89 3.89 4.34 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 1.20 0.00 0.00 47 A 8.73 3.99 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 48 L 8.18 3.87 0.00 1.85 1.86 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.27 3.95 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 50 T 8.01 3.76 4.41 0.00 0.00 0.00 0.00 0.00 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 51 E 8.35 3.91 0.00 2.14 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 0.00 2.31 2.38 0.00 52 L 8.42 3.98 0.00 1.88 1.67 0.86 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.10 3.99 0.00 1.86 1.73 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.86 3.97 0.00 1.86 1.74 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 2.11 2.28 0.00 63 I 6.44 3.92 1.45 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 -0.24 0.64 0.00 0.00 64 G 8.08 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.11 0.00 1.71 1.44 0.78 0.96 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 77 H 8.77 4.46 0.00 3.15 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.56 4.09 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 0.79 0.00 0.00 0.95 0.00 0.00 79 M 7.63 4.36 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 80 N 8.17 4.41 0.00 2.81 3.08 0.00 0.00 6.57 6.52 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 81 T 7.78 4.07 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 1.27 0.00 0.00 82 L 7.57 4.34 0.00 1.85 1.71 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.59 4.14 1.53 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.72 0.00 0.00 84 H 8.14 4.96 0.00 3.15 3.30 0.00 5.64 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 85 D 7.89 4.79 0.00 2.69 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 86 Q 8.73 4.07 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.91 2.61 0.00 87 E 8.02 3.76 0.00 1.85 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 0.00 2.22 2.37 0.00 88 K 8.52 3.98 0.00 1.78 1.82 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.42 7.81 89 A 7.74 4.00 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 90 K 6.59 2.81 0.00 0.79 1.44 0.00 1.65 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.29 7.81 91 I 7.54 3.61 2.04 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 1.34 0.62 0.93 0.00 0.00 92 Y 7.95 4.13 0.00 3.09 3.01 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 93 M 7.84 3.88 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.89 0.00 94 L 8.17 3.95 0.00 1.92 1.65 1.10 0.47 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 95 N 8.27 4.51 0.00 2.84 2.81 0.00 0.00 6.88 8.25 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 96 F 7.68 3.90 0.00 2.85 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 97 T 8.01 3.75 4.08 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 -0.02 0.00 0.00 98 M 8.94 4.25 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.93 0.00 99 S 8.19 4.05 0.00 3.97 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 0.00 100 L 7.52 3.78 0.00 1.52 1.74 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.27 4.26 0.00 3.17 3.28 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 0.00 102 N 8.10 4.10 0.00 2.91 2.78 0.00 0.00 6.66 6.95 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 0.00 103 E 7.98 3.82 0.00 1.97 2.03 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 2.23 2.30 0.00 104 K 8.04 3.94 0.00 1.93 1.82 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.65 7.81 105 L 7.30 3.83 0.00 1.59 1.54 0.36 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.89 3.99 0.00 1.95 1.76 0.00 1.48 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 107 Q 7.98 3.55 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 108 L 7.28 4.15 0.00 1.70 1.45 0.35 0.79 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 0.00 109 K 8.55 4.29 0.00 1.82 1.83 0.00 1.53 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.51 7.81 110 D 7.65 4.82 0.00 2.75 2.78 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 0.00 111 G 6.30 3.62 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 0.00 0.00 0.00 112 P 0.00 3.92 0.00 2.09 1.95 0.00 3.45 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 113 W 8.62 4.58 0.00 3.46 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 0.00 114 D 7.27 4.91 0.00 2.85 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 0.00 115 V 8.51 3.63 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 1.12 0.00 0.00 0.97 0.00 0.00 116 M 8.33 3.95 0.00 2.19 2.13 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 2.66 2.66 0.00 117 L 8.03 4.06 0.00 1.74 1.85 0.91 0.51 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 0.00 118 K 7.79 4.07 0.00 2.06 1.99 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.61 7.81 119 R 8.53 4.15 0.00 2.04 2.08 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 120 S 8.72 4.23 0.00 4.08 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 0.00 121 L 8.11 4.11 0.00 1.89 1.70 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 122 W 8.38 4.24 0.00 3.70 3.28 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 0.00 123 C 8.46 4.30 0.00 3.34 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 0.00 124 C 8.43 4.03 0.00 3.35 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 0.00 125 I 7.88 3.86 2.19 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.79 1.02 0.00 0.00 126 D 8.52 4.50 0.00 2.84 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 0.00 127 L 8.32 3.88 0.00 1.57 1.54 1.04 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.42 4.44 0.00 3.15 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 0.00 129 S 8.34 4.16 0.00 4.09 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 0.00 130 C 8.13 2.56 0.00 2.60 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 0.00 131 I 7.59 3.72 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.88 1.18 0.00 0.00 132 L 7.56 4.02 0.00 1.73 1.73 0.89 1.13 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 0.00 133 H 7.88 4.24 0.00 3.24 3.17 0.00 5.96 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 0.00 134 L 7.31 3.75 0.00 0.27 0.13 0.41 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 135 W 7.76 5.05 0.00 3.44 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 0.00 136 K 8.15 4.00 0.00 2.01 1.78 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.46 7.81 137 E 8.12 4.56 0.00 2.03 1.98 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 2.31 2.33 0.00 138 N 8.25 5.02 0.00 2.93 2.79 0.00 0.00 6.72 7.40 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 0.00 139 I 7.38 4.44 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.89 0.94 0.00 0.00 140 S 8.59 4.27 0.00 4.04 4.01 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 0.00 141 E 8.69 3.94 0.00 2.05 1.98 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 2.37 2.40 0.00 142 T 7.79 3.88 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 0.00 143 S 7.98 4.14 0.00 4.02 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 0.00 144 T 7.84 3.84 4.40 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 1.25 0.00 0.00 145 N 7.83 4.42 0.00 2.80 2.84 0.00 0.00 6.70 7.44 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 0.00 146 S 8.00 3.99 0.00 3.97 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 0.00 147 L 8.19 3.49 0.00 1.72 1.48 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.21 3.94 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 149 K 8.07 3.95 0.00 1.97 1.70 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.54 7.81 150 R 7.23 3.96 0.00 0.93 0.78 0.00 2.23 0.00 0.00 2.71 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.28 0.00 151 I 7.36 3.67 1.97 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 1.47 0.58 0.91 0.00 0.00 152 K 8.06 3.81 0.00 1.88 2.08 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 153 Y 8.68 3.67 0.00 3.28 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 0.00 154 C 8.20 4.34 0.00 3.23 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 0.00 155 K 7.90 3.66 0.00 1.86 1.76 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 156 I 7.73 3.54 1.48 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.56 0.00 0.00 157 Y 7.58 4.39 0.00 3.08 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 0.00 158 L 8.19 4.02 0.00 1.82 1.68 -0.19 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.11 4.16 0.00 4.06 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 0.00 160 K 8.03 4.04 0.00 2.06 1.90 0.00 1.91 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.78 7.81 161 L 8.17 4.07 0.00 1.89 1.83 1.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 162 A 7.57 4.19 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 0.00 163 K 7.75 4.13 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.55 7.81 164 G 8.23 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 0.00 165 E 7.96 4.05 0.00 1.92 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 0.00 2.27 2.31 0.00 166 I 7.04 4.13 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 0.80 0.00 0.00 167 G 7.99 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.