NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2608 8.4449 118.7972 55.5731 31.2313 175.2604 4 K 3.9501 8.1791 119.6747 55.5530 32.2467 174.6318 5 T 5.0596 8.7356 116.9339 58.9495 72.3112 173.6055 6 C 4.9223 8.5426 118.2953 57.9610 37.4965 173.0796 7 D 5.0493 9.3771 123.3524 52.2758 42.9963 175.6318 8 L 4.7021 8.5732 124.4084 54.3807 42.3657 177.3536 9 V 3.7300 8.7838 124.7515 61.4577 31.9975 176.3855 10 G 3.9825 8.4783 116.1820 46.5459 0.0000 175.4908 *16 S 4.1742 7.9467 121.4433 58.1933 62.2820 172.8614 17 E 4.3879 8.1392 126.2908 57.7740 32.1855 179.1495 18 K 4.1849 7.8717 118.9315 59.4409 32.7058 177.5624 19 E 4.0079 8.1237 119.2499 59.0991 29.6360 178.4420 20 L 4.0450 7.6431 118.6431 57.6902 41.7194 179.3258 21 A 4.0104 8.5583 121.2431 55.0325 18.0233 179.7514 22 L 3.9685 7.2476 115.8231 57.9239 42.0489 179.3171 23 L 4.2612 7.8775 118.5989 57.7045 41.6889 179.4646 24 K 3.9511 8.4998 120.0345 59.4840 31.8912 178.8615 25 R 3.9391 7.7136 117.8605 58.6149 30.1978 177.4480 26 L 4.3859 7.6325 117.3343 54.6801 41.8271 178.1352 27 T 2.0000 7.0651 111.5947 63.9059 68.1281 174.2608 28 P 4.1005 0.0000 0.0000 64.3243 31.6978 176.8139 29 L 4.5307 7.8108 117.2152 54.9668 42.4467 178.3734 30 F 4.9137 7.9823 117.3496 60.0748 38.8707 176.6221 31 Q 4.1793 7.9801 116.6805 57.0712 29.0887 176.4016 32 K 4.0521 7.6301 117.4368 55.8968 32.7954 176.0106 33 S 4.5404 7.6728 114.9354 56.3848 65.3505 173.0358 34 F 4.8148 8.7244 123.9305 55.6418 42.1328 173.7491 35 E 5.8329 8.7859 122.3072 54.3777 33.3864 174.2824 36 S 4.8431 8.9292 117.7025 57.7683 66.0949 172.6829 37 T 5.2222 8.7923 123.7671 62.2602 70.3195 174.1934 38 V 4.5140 8.8969 118.4949 60.5682 36.4662 176.3083 39 G 4.1778 9.4676 110.4915 45.1621 0.0000 172.6317 40 Q 4.5809 7.8805 113.4555 54.1617 31.5072 174.7052 41 S 3.9737 8.5372 115.4162 57.9216 63.5790 173.0309 42 P 4.3878 0.0000 0.0000 65.7101 31.8584 177.4724 43 D 4.6306 7.8866 118.6416 53.2447 36.8751 174.2976 44 M 4.9869 7.5637 124.2565 54.6596 35.2891 175.0408 45 Y 5.1708 9.0187 119.1471 56.2826 42.9426 174.3003 46 S 5.1259 9.1290 115.5665 56.9551 66.0608 172.0850 47 Y 5.3345 9.4499 125.0760 56.4819 40.3469 174.7054 48 V 4.9466 8.8660 123.6514 61.0863 34.4432 173.8761 49 F 5.4913 9.6423 130.8806 56.5734 42.2908 173.9362 50 R 4.3858 8.2473 123.1636 54.2692 34.6467 175.1921 51 V 3.9173 8.0081 121.8260 62.5014 31.5532 176.3673 52 C 3.8825 9.1443 125.4291 57.3432 38.1028 173.2394 53 R 3.8748 6.5225 115.3166 53.6966 33.7706 174.6603 54 E 4.2971 8.4600 120.7011 56.7614 29.9476 176.4922 55 A 4.4852 8.9307 128.1754 51.9622 20.7420 176.5799 56 G 4.0463 8.5123 105.1528 44.7437 0.0000 173.5960 57 Q 4.6388 8.8942 115.0953 55.9692 28.8884 176.1921 58 H 4.7252 8.1498 113.3848 55.3461 29.8885 174.2652 59 S 3.6712 7.8652 111.9430 59.6373 61.2711 172.1447 60 S 4.5053 7.8634 112.0065 58.6125 63.2549 174.8494 61 G 3.5309 8.8318 108.4188 46.5594 0.0000 173.6973 62 A 4.2868 7.6698 119.9349 51.7814 19.1131 179.5338 63 G 3.4959 8.9793 109.8087 47.4268 0.0000 173.5304 64 L 5.3398 7.7572 121.9064 54.0817 45.7625 174.7013 65 V 5.0358 9.0968 118.8479 59.5760 36.2538 174.1864 66 Q 4.8465 9.2576 124.5389 54.5656 31.4169 174.2370 67 I 4.8275 8.9305 128.8488 59.6619 39.4299 174.8199 68 Q 3.9074 8.9495 130.5211 54.8286 29.6956 175.6438 69 K 4.7825 8.3720 131.7156 55.4949 29.2136 176.2914 70 S 4.6625 7.7781 114.6873 57.8763 67.1042 174.7680 71 N 4.8291 7.7832 112.9870 51.2897 39.2742 175.2453 72 G 3.8425 8.2193 106.8368 45.7174 0.0000 173.3535 73 K 4.1531 8.3494 122.0050 56.1917 33.2855 175.4827 74 E 5.0013 8.6723 126.5626 55.2541 31.3905 175.3069 75 T 4.6798 8.9769 121.1771 61.6072 71.7884 173.4347 76 V 4.0697 9.7167 128.2578 62.5595 31.6305 176.7572 77 V 3.3325 8.7751 129.4048 65.6171 32.7187 175.8703 78 G 4.2664 7.7197 104.1327 45.4292 0.0000 172.4303 79 R 5.1619 8.7062 121.0064 53.8966 32.9953 176.8358 80 F 4.2789 8.2104 116.5159 56.8775 38.7255 176.1350 81 N 4.7347 7.5028 116.1334 53.4310 38.2565 175.0886 82 E 4.7738 7.8345 118.1335 55.3961 29.2836 174.4432 83 T 5.3132 9.0670 118.4704 62.3073 71.5263 175.4777 84 Q 4.7904 9.0528 123.6857 54.2494 32.9762 174.2822 85 I 5.0520 8.1212 121.9073 59.6276 41.4877 174.0984 86 F 4.9944 9.3891 126.8295 55.7641 43.2724 173.3628 87 Q 4.5959 8.9117 123.3726 54.7577 29.7244 174.8680 88 G 2.0878 8.1425 115.3163 42.3281 0.0000 173.7224 89 S 4.0778 7.5835 112.6673 61.2976 63.0085 175.2506 90 N 5.0296 7.1136 115.5430 52.5787 40.6062 173.5887 91 W 5.5840 7.2786 112.8823 55.3477 31.9581 172.6605 92 I 5.1538 9.2439 120.6040 59.8212 40.7230 174.2943 93 M 5.1085 9.7201 127.1512 53.9375 34.3317 173.9632 94 L 4.9535 8.8510 128.9095 53.4206 44.6865 174.9938 95 I 5.1222 8.9104 126.5725 59.7023 41.1018 173.8662 96 Y 5.4534 9.1517 124.1429 56.5395 40.9099 175.5698 97 K 4.4819 9.0407 124.3690 54.6653 35.8654 176.1121 98 G 3.9206 8.6545 106.4907 47.1237 0.0000 174.1044 99 G 4.0439 7.9653 108.0654 44.1550 0.0000 174.1482 100 D 4.6793 8.9468 119.6160 54.0218 41.9426 176.5218 101 E 4.5594 8.5930 121.1997 56.8179 30.3288 176.4361 102 Y 4.5459 8.9136 121.4150 57.5217 39.7386 175.7965 103 D 5.2897 8.5851 121.3229 54.1977 43.3471 175.4437 104 N 5.2210 7.9939 118.7755 52.3692 38.3424 175.6663 105 H 4.2351 8.9809 110.5701 58.6073 28.6745 177.4139 106 C 4.0526 7.4381 116.5176 57.6540 40.2357 172.6927 107 G 3.6950 7.7851 104.5840 44.2948 0.0000 174.1217 108 R 5.8217 8.5224 119.7650 55.2952 31.0767 176.6544 109 E 4.3172 8.2444 117.8785 56.3967 31.0757 175.9611 110 Q 4.4417 8.5367 119.9645 55.5784 29.7791 176.3614 111 R 4.0800 8.4851 122.3043 56.6708 31.5023 175.7502 112 R 5.2221 8.4894 117.7204 54.7962 34.6493 174.3448 113 A 4.9101 9.6441 124.2953 50.1751 21.8625 175.5033 114 V 4.7298 8.5631 122.0101 60.9402 34.6664 174.3401 115 V 4.6103 8.8553 128.0547 61.3518 34.2825 174.2938 116 M 4.5106 9.2740 129.2603 54.5548 32.8598 175.8917 117 I 4.3739 8.9249 127.4543 60.0437 38.3464 175.5902 118 S 4.9978 9.0185 124.7587 57.6344 64.3865 173.4311 119 C 4.7673 8.9397 124.8911 57.1932 38.5544 173.1805 120 N 4.7328 8.5799 124.3390 53.0875 39.9816 174.8904 121 R 4.1104 8.7775 125.9977 58.4888 30.4389 177.6971 122 H 4.4899 8.4492 116.9206 57.7169 30.3584 174.8702 123 T 4.6513 7.7171 112.8376 60.1134 70.3888 174.2645 124 L 3.8828 8.9687 128.5090 57.2421 42.5481 176.7884 125 A 4.6022 7.4177 116.0406 51.8568 22.7851 174.6867 126 D 4.5051 8.8795 121.5552 54.8512 44.9091 175.1127 127 N 4.4682 9.2001 114.8814 53.8869 35.7769 174.5972 128 F 4.4852 8.5798 120.3228 58.7038 39.9665 173.5397 129 N 4.8974 8.7811 126.3976 51.3036 42.5953 171.6985 130 P 4.0010 0.0000 0.0000 62.6901 31.9351 175.7139 131 V 4.0779 8.2811 121.1015 63.6063 34.0136 175.7889 132 S 4.6301 7.0563 113.2700 56.6514 66.1339 172.7001 133 E 4.2398 8.8346 123.9738 55.6438 34.8146 173.7857 134 E 4.8224 7.6543 120.9632 54.2279 30.6395 173.6989 135 R 4.0748 9.1837 124.4322 54.4629 33.3843 177.2441 136 G 4.0081 8.7130 117.5821 46.4928 0.0000 174.1696 137 K 3.9715 9.2106 121.9278 58.7383 32.5494 177.0080 138 V 3.7862 7.9185 119.8718 62.5999 31.4930 175.4660 139 Q 4.9908 8.2030 127.6540 54.6920 28.4969 175.4249 140 D 4.4371 8.6011 117.7852 54.6728 41.8671 176.4842 141 C 3.9797 8.2910 115.8443 56.7953 34.9723 172.7306 142 F 5.2303 7.5242 118.0817 57.5515 43.0662 171.9403 143 Y 4.5238 8.6671 123.4090 56.0923 40.3671 174.2205 144 L 4.8029 7.9084 126.9205 52.9634 45.3014 175.3047 145 F 5.0214 9.1613 124.3182 55.4023 43.2821 173.7651 146 E 5.2553 8.6529 118.2644 55.2334 33.1678 174.2830 147 M 4.9357 8.4329 116.1490 55.1327 35.2054 172.9150 148 D 5.5116 8.8844 119.9434 53.1118 44.2558 175.6694 149 S 5.3580 9.0276 114.9530 58.1906 65.9522 175.7602 150 S 4.3716 9.3446 121.9954 60.3939 63.1631 176.3096 151 L 4.0605 7.8412 120.8860 57.3703 41.4166 177.6481 152 A 4.3338 7.6701 119.1297 52.6878 18.6906 176.5928 153 C 4.5152 7.6931 113.9595 57.0877 41.3466 174.1279 154 S 4.0610 8.5879 118.0252 59.2317 62.4966 172.0146 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 3 E 8.44 4.26 0.00 2.10 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 2.18 2.35 0.00 4 K 8.18 3.95 0.00 1.97 1.95 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.46 7.81 5 T 8.74 5.06 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 1.13 0.00 0.00 6 C 8.54 4.92 0.00 2.92 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 7 D 9.38 5.05 0.00 2.55 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 8 L 8.57 4.70 0.00 1.53 1.61 0.96 1.06 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 9 V 8.78 3.73 2.13 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 0.75 0.00 0.00 1.03 0.00 0.00 10 G 8.48 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 0.00 0.00 0.00 *16 S 7.95 4.17 0.00 3.90 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 17 E 8.14 4.39 0.00 2.08 1.92 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 2.29 2.31 0.00 18 K 7.87 4.18 0.00 1.80 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 19 E 8.12 4.01 0.00 2.04 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 2.25 2.31 0.00 20 L 7.64 4.05 0.00 1.94 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.56 4.01 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 22 L 7.25 3.97 0.00 1.88 1.75 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.88 4.26 0.00 2.00 1.87 1.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.50 3.95 0.00 1.94 1.99 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 R 7.71 3.94 0.00 1.98 2.17 0.00 3.29 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 L 7.63 4.39 0.00 2.07 1.82 0.95 0.68 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 27 T 7.07 2.00 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 0.97 0.00 0.00 28 P 0.00 4.10 0.00 2.00 2.11 0.00 3.52 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 29 L 7.81 4.53 0.00 1.91 1.89 1.00 1.47 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 30 F 7.98 4.91 0.00 2.96 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 31 Q 7.98 4.18 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 32 K 7.63 4.05 0.00 1.76 1.05 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.32 7.81 33 S 7.67 4.54 0.00 3.64 3.47 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 34 F 8.72 4.81 0.00 2.61 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 35 E 8.79 5.83 0.00 1.97 1.84 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 2.58 2.16 0.00 36 S 8.93 4.84 0.00 4.24 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 37 T 8.79 5.22 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 1.30 0.00 0.00 38 V 8.90 4.51 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 0.99 0.00 0.00 1.22 0.00 0.00 39 G 9.47 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 40 Q 7.88 4.58 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 41 S 8.54 3.97 0.00 3.89 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 42 P 0.00 4.39 0.00 2.16 2.16 0.00 3.78 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 1.99 1.95 0.00 43 D 7.89 4.63 0.00 3.05 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 44 M 7.56 4.99 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 45 Y 9.02 5.17 0.00 2.74 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 46 S 9.13 5.13 0.00 3.83 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 47 Y 9.45 5.33 0.00 3.35 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 48 V 8.87 4.95 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 1.06 0.00 0.00 0.99 0.00 0.00 49 F 9.64 5.49 0.00 2.78 2.13 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 50 R 8.25 4.39 0.00 1.58 1.46 0.00 3.06 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 51 V 8.01 3.92 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 1.25 0.00 0.00 0.87 0.00 0.00 52 C 9.14 3.88 0.00 1.65 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 53 R 6.52 3.87 0.00 1.39 1.47 0.00 3.19 0.00 0.00 2.75 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 0.00 54 E 8.46 4.30 0.00 2.03 1.86 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 2.32 2.50 0.00 55 A 8.93 4.49 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 56 G 8.51 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 57 Q 8.89 4.64 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.26 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 58 H 8.15 4.73 0.00 3.04 3.27 0.00 6.00 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.87 3.67 0.00 4.04 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 60 S 7.86 4.51 0.00 3.97 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 0.00 61 G 8.83 3.53 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 0.00 0.00 0.00 62 A 7.67 4.29 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 63 G 8.98 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 5.34 0.00 2.05 1.60 0.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.10 5.04 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 0.77 0.00 0.00 1.04 0.00 0.00 66 Q 9.26 4.85 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.32 1.85 0.00 67 I 8.93 4.83 1.96 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 1.13 0.46 0.90 0.00 0.00 68 Q 8.95 3.91 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.07 1.35 0.00 69 K 8.37 4.78 0.00 1.65 1.70 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.39 7.81 70 S 7.78 4.66 0.00 3.73 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 71 N 7.78 4.83 0.00 2.73 2.83 0.00 0.00 6.08 7.00 0.00 0.00 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 8.22 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 0.00 0.00 0.00 73 K 8.35 4.15 0.00 1.89 1.77 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.42 7.81 74 E 8.67 5.00 0.00 1.72 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 2.25 2.34 0.00 75 T 8.98 4.68 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 1.24 0.00 0.00 76 V 9.72 4.07 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 0.85 0.00 0.00 0.89 0.00 0.00 77 V 8.78 3.33 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 0.30 0.00 0.00 0.70 0.00 0.00 78 G 7.72 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 0.00 0.00 0.00 0.00 79 R 8.71 5.16 0.00 1.65 1.67 0.00 3.01 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 80 F 8.21 4.28 0.00 2.87 2.30 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 81 N 7.50 4.73 0.00 2.66 2.51 0.00 0.00 5.88 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 E 7.83 4.77 0.00 1.99 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 2.20 2.21 0.00 83 T 9.07 5.31 4.46 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 1.40 0.00 0.00 84 Q 9.05 4.79 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 85 I 8.12 5.05 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.94 0.81 0.00 0.00 86 F 9.39 4.99 0.00 3.26 2.99 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 87 Q 8.91 4.60 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 88 G 8.14 2.09 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 0.00 0.00 0.00 89 S 7.58 4.08 0.00 3.93 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 90 N 7.11 5.03 0.00 2.89 2.88 0.00 0.00 6.63 7.83 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 91 W 7.28 5.58 0.00 3.53 3.15 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 92 I 9.24 5.15 1.98 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 1.14 0.73 1.06 0.00 0.00 93 M 9.72 5.11 0.00 2.46 2.12 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 94 L 8.85 4.95 0.00 1.80 1.41 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.91 5.12 2.08 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 1.09 0.00 0.00 96 Y 9.15 5.45 0.00 2.92 2.87 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 97 K 9.04 4.48 0.00 1.89 1.80 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 98 G 8.65 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 99 G 7.97 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 0.00 100 D 8.95 4.68 0.00 2.50 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 0.00 101 E 8.59 4.56 0.00 1.86 2.06 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 2.48 2.35 0.00 102 Y 8.91 4.55 0.00 3.09 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 0.00 103 D 8.59 5.29 0.00 2.66 2.64 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 0.00 104 N 7.99 5.22 0.00 2.97 2.85 0.00 0.00 5.86 7.90 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 0.00 105 H 8.98 4.24 0.00 3.23 3.48 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 7.44 4.05 0.00 2.37 2.47 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 0.00 107 G 7.79 3.70 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 0.00 0.00 0.00 0.00 108 R 8.52 5.82 0.00 1.72 2.23 0.00 3.29 0.00 0.00 3.96 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 109 E 8.24 4.32 0.00 2.15 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 2.63 2.70 0.00 110 Q 8.54 4.44 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.07 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 111 R 8.49 4.08 0.00 1.55 1.68 0.00 2.96 0.00 0.00 2.69 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.06 0.00 112 R 8.49 5.22 0.00 1.82 1.90 0.00 3.27 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 113 A 9.64 4.91 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 0.00 114 V 8.56 4.73 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 1.05 0.00 0.00 1.10 0.00 0.00 115 V 8.86 4.61 1.77 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 0.75 0.00 0.00 0.13 0.00 0.00 116 M 9.27 4.51 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 117 I 8.92 4.37 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.96 0.00 0.00 118 S 9.02 5.00 0.00 3.99 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 0.00 119 C 8.94 4.77 0.00 3.10 3.27 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 0.00 120 N 8.58 4.73 0.00 2.82 2.70 0.00 0.00 7.23 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 0.00 121 R 8.78 4.11 0.00 1.87 2.00 0.00 3.27 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 122 H 8.45 4.49 0.00 3.14 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.72 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 1.27 0.00 0.00 124 L 8.97 3.88 0.00 1.74 1.69 0.93 1.24 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 0.00 125 A 7.42 4.60 1.49 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 0.00 126 D 8.88 4.51 0.00 2.75 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 0.00 127 N 9.20 4.47 0.00 2.99 2.95 0.00 0.00 6.80 7.45 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 0.00 128 F 8.58 4.49 0.00 3.08 3.25 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 0.00 129 N 8.78 4.90 0.00 2.71 2.58 0.00 0.00 6.53 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 0.00 130 P 0.00 4.00 0.00 1.65 1.49 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.02 0.00 131 V 8.28 4.08 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 0.61 0.00 0.00 0.72 0.00 0.00 132 S 7.06 4.63 0.00 3.71 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 0.00 133 E 8.83 4.24 0.00 1.74 1.62 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 1.79 1.81 0.00 134 E 7.65 4.82 0.00 1.70 1.85 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 2.33 2.48 0.00 135 R 9.18 4.07 0.00 1.68 1.59 0.00 3.28 0.00 0.00 3.50 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.53 0.00 136 G 8.71 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 0.00 0.00 0.00 137 K 9.21 3.97 0.00 1.76 1.88 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.39 7.81 138 V 7.92 3.79 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 0.82 0.00 0.00 0.89 0.00 0.00 139 Q 8.20 4.99 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 140 D 8.60 4.44 0.00 2.70 2.73 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 0.00 141 C 8.29 3.98 0.00 2.90 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 0.00 142 F 7.52 5.23 0.00 2.92 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 0.00 143 Y 8.67 4.52 0.00 3.22 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 0.00 144 L 7.91 4.80 0.00 0.58 0.85 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.16 5.02 0.00 2.71 2.36 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 0.00 146 E 8.65 5.26 0.00 1.88 1.86 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 2.25 2.13 0.00 147 M 8.43 4.94 0.00 2.24 2.19 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 2.42 2.45 0.00 148 D 8.88 5.51 0.00 2.62 2.64 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 0.00 149 S 9.03 5.36 0.00 3.91 3.69 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 0.00 150 S 9.34 4.37 0.00 4.04 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 0.00 151 L 7.84 4.06 0.00 1.68 1.79 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.67 4.33 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 0.00 0.00 0.00 0.00 0.00 153 C 7.69 4.52 0.00 3.08 3.02 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 0.00 154 S 8.59 4.06 0.00 4.00 3.82 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 * Residues marked with a * may have inaccurate shift predictions.