NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 E 4.2831 8.3027 120.2285 56.0528 31.0128 173.5417 28 R 4.1667 8.2063 120.5765 55.0748 30.7257 174.5255 29 G 4.4207 9.2749 115.0633 45.8037 0.0000 172.1760 30 I 4.8149 8.3321 116.2408 58.9473 41.6775 173.9030 31 I 4.9195 8.9453 122.9577 59.6352 39.2992 175.1894 32 I 4.7602 8.7880 128.0264 59.2736 40.5241 174.7011 33 V 4.6086 8.5307 125.8476 61.0494 34.8055 174.2198 34 F 5.2694 9.2327 127.0886 56.5551 40.7544 173.5985 35 T 5.2959 8.1610 122.2071 59.8702 70.8915 173.4698 36 G 4.1134 9.1270 105.9425 45.7118 0.0000 172.7988 37 N 4.6781 8.3355 114.0081 53.2918 39.1049 176.4207 38 G 3.8210 8.9933 108.4038 44.9966 0.0000 173.9012 39 K 4.1428 8.2334 120.2584 57.0933 32.9246 177.5123 40 G 4.5834 9.0443 108.4924 45.4504 0.0000 175.8620 41 K 3.8572 8.4332 120.0880 59.8944 32.0517 179.1153 42 T 4.0304 7.9169 115.5489 66.8303 68.4993 176.8064 43 T 3.9824 7.9747 111.0934 64.6786 68.6690 175.9809 44 A 3.6489 8.1931 123.7824 54.7325 18.2410 179.3160 45 A 4.0638 7.6069 118.7400 55.6472 18.4058 179.9939 46 F 4.3269 8.6779 116.5333 60.2901 38.9007 178.2960 47 G 3.6178 8.6893 106.2166 48.0353 0.0000 175.9816 48 T 3.9339 8.2573 118.1815 66.3060 68.4113 176.6422 49 A 3.9759 8.0828 122.5078 55.0434 18.3241 179.4831 50 A 3.9713 8.3864 119.6061 55.2715 18.4942 179.8329 51 R 3.7184 8.0626 116.9268 59.4188 30.2082 178.3515 52 A 4.0314 8.2276 120.8353 55.4347 18.3506 179.7421 53 V 3.6649 8.2390 117.0756 66.1737 31.3589 178.3928 54 G 3.6811 8.1472 104.6011 47.7370 0.0000 174.3695 55 H 4.7745 7.9553 115.6238 55.6444 29.1100 176.2329 56 G 3.9675 8.3034 110.1098 44.9450 0.0000 174.0362 57 K 4.4304 7.7068 118.5732 56.1779 33.3951 176.0473 58 N 4.9109 10.2511 120.9021 52.0837 40.3118 174.6084 59 V 4.7474 8.4591 122.5686 60.9829 35.5753 174.1878 60 G 4.3298 8.4730 111.5961 44.3995 0.0000 171.4146 61 V 4.8355 8.4798 122.2430 60.6513 35.2452 174.3443 62 V 4.6326 8.9049 126.6413 61.1361 34.6551 174.0073 63 Q 4.9360 8.9797 127.2401 54.1680 30.3785 176.3649 64 F 4.1463 9.1111 124.0027 58.9616 39.6781 175.9694 65 I 4.3395 7.6426 119.2839 58.9279 39.2905 174.7595 66 K 4.1793 8.6817 127.5435 55.5887 32.5978 176.5810 67 G 3.9835 8.5271 115.3624 45.7045 0.0000 173.4010 68 T 4.0642 8.1970 117.5816 62.8918 68.2683 174.1129 69 W 4.8720 7.3613 121.9102 53.8296 32.4325 173.2281 70 P 4.3502 0.0000 0.0000 62.8031 31.3483 177.2385 71 N 4.6868 8.4964 121.0980 51.9139 38.4271 175.8111 72 G 3.6078 8.3254 114.0998 47.7327 0.0000 172.5269 73 E 3.7910 7.9161 121.1216 58.9315 29.4198 179.4497 74 R 2.5100 7.6184 117.8987 59.0359 29.7781 178.1242 75 N 4.1788 8.2283 115.4291 56.1346 38.5275 176.9662 76 L 4.0840 7.6675 120.8886 58.1942 42.6713 178.7009 77 L 4.2377 8.2291 119.2251 57.5847 41.7213 178.6525 78 E 4.2617 7.8892 120.7786 58.4220 29.3094 177.2985 79 P 4.4340 0.0000 0.0000 64.6760 31.3474 176.3542 80 H 4.5982 8.4415 114.9822 55.5824 28.6133 176.0346 81 G 3.8429 8.3219 106.9420 45.4334 0.0000 174.0143 82 V 4.2543 7.5511 120.3440 60.9661 32.5608 174.9500 83 E 4.3376 8.9205 129.9592 56.4479 30.8410 175.2397 84 F 5.1295 8.8855 124.2106 55.7562 42.4683 174.6064 85 Q 4.5195 9.2174 121.6483 53.2456 31.9756 174.4153 86 V 4.9014 8.7326 123.3907 62.1887 34.0544 177.6689 *88 A 4.1847 8.6129 119.6646 51.6865 19.2364 177.9476 89 T 3.9245 8.6021 117.1225 66.5596 68.7181 176.4371 90 G 3.7173 8.1053 109.2049 47.8846 0.0000 173.5326 91 F 3.9772 7.8593 122.3666 58.9618 39.5131 174.6312 92 T 4.2887 8.1897 117.6478 60.8945 69.9510 175.6369 93 W 3.6788 7.5305 118.8254 56.8232 27.5333 173.3991 94 E 4.5501 8.2928 119.5554 55.3857 29.9591 177.3683 95 T 3.9999 8.9219 120.8467 66.9440 68.5695 174.7401 96 Q 4.3488 8.0296 115.5795 56.3985 29.0902 175.2794 97 N 4.9122 8.5583 116.6332 53.3090 39.8098 175.7728 98 R 4.0374 8.2790 118.1984 59.9578 30.0630 178.4027 99 E 3.9862 8.1329 117.3515 59.2283 29.5841 179.0733 100 A 3.9884 7.8143 120.2757 55.2622 18.6511 179.2514 101 D 3.8945 8.1042 117.5837 57.4952 40.4525 179.2518 102 T 4.0794 7.9195 115.1934 66.7153 68.6084 176.1456 103 A 4.1700 7.7059 120.6402 55.2047 18.6483 179.2662 104 A 4.1813 8.2260 119.2308 55.2635 18.4195 180.0521 105 C 3.9624 8.2619 113.8508 60.2378 31.3205 175.1276 *107 A 4.2778 7.9480 123.2572 51.6810 20.1001 180.2814 108 V 3.6823 7.8513 116.0185 64.7567 31.3618 178.3089 109 W 4.7054 8.7456 128.6608 59.9321 30.5211 178.0079 110 Q 3.7907 7.7521 118.6742 59.1091 27.8426 178.2480 111 H 4.3301 7.5459 116.6264 58.7524 28.8373 177.7128 112 G 3.7879 7.8590 105.7069 47.9074 0.0000 175.4193 113 K 3.6531 7.3079 120.2837 58.5162 32.0783 179.7333 114 R 3.8620 7.5040 115.2477 57.1768 29.3027 177.6214 *116 L 4.4944 8.1021 115.1394 53.8218 43.3733 177.4788 117 A 4.5242 7.9501 120.2384 51.5633 20.1200 175.7355 118 D 4.6582 7.7951 117.3815 52.0255 41.5020 175.2816 119 P 4.3350 0.0000 0.0000 65.0387 31.5040 177.0027 120 L 4.3859 9.5562 117.9088 54.7921 42.1065 176.1764 121 L 4.4634 7.5498 120.1972 53.6925 42.2751 176.2403 122 D 4.3881 8.7367 123.0983 55.5381 41.9506 176.1415 *124 V 4.1410 7.5990 119.2055 62.6799 33.3423 173.8386 125 V 4.5111 8.9888 128.1771 61.3428 33.8024 174.4593 126 L 5.2168 8.8944 129.2117 52.9195 42.3515 173.4098 127 D 4.7170 9.2325 122.9378 54.3114 42.3448 175.9376 128 E 4.3675 9.4123 124.4874 57.4191 27.5982 176.3939 129 L 3.2707 8.3076 123.4195 58.0217 42.6291 178.0800 130 T 3.9308 7.7060 108.0056 65.0260 68.6454 177.2850 131 Y 4.6616 7.2146 120.9951 57.2982 37.2929 178.4973 *133 V 3.8760 7.9979 120.7758 62.9118 33.2822 176.9194 134 A 4.1565 8.4264 121.4631 54.3515 18.3225 177.4779 135 Y 4.3246 8.1962 111.8843 56.9458 38.3985 175.0227 136 D 4.3137 7.6523 117.7494 55.5947 39.7604 173.9280 137 Y 4.6201 7.8495 114.4768 58.2544 38.8354 175.5315 138 L 4.6559 7.3922 119.6848 53.0481 43.4652 173.6051 139 P 4.2129 0.0000 0.0000 62.4804 31.7671 176.5989 140 L 3.7585 8.6764 125.2988 58.2702 41.8964 178.5776 141 E 3.9410 8.1674 117.8001 59.6304 29.3060 179.1151 142 E 4.1582 8.1631 118.5307 59.0882 29.3929 179.6520 143 V 3.7549 7.5387 118.0001 66.0838 31.7005 177.7672 144 I 3.6853 7.9505 119.8693 64.5073 36.9810 178.2259 145 S 4.0771 8.2277 113.3907 61.5237 62.0484 175.9779 146 A 4.0479 8.2848 122.2739 55.1994 17.9661 179.3445 147 L 4.1434 8.3932 117.6845 58.1309 41.5325 179.5010 148 N 4.3691 8.3536 115.2582 55.9676 38.6043 176.5046 149 A 4.4004 7.7583 119.2041 51.2960 19.1920 177.6087 150 R 4.2918 6.7744 113.4080 54.4715 30.3399 174.9616 151 P 4.2411 0.0000 0.0000 62.5813 31.9451 177.7802 152 G 3.9338 8.9184 112.9819 49.0583 0.0000 174.1538 153 H 4.9832 7.8759 111.4115 55.1353 28.9584 174.5671 154 Q 4.4927 8.7142 124.2768 56.3395 29.9906 174.4611 155 T 4.9375 8.6575 123.5753 62.1084 70.7228 174.2484 156 V 4.6737 8.9230 125.1656 61.1355 35.1406 174.0307 157 I 4.9060 8.6572 127.9804 59.6189 39.8089 174.3891 158 I 5.0909 8.7845 128.5999 59.6466 39.3797 174.9004 159 T 5.1973 9.5722 116.1105 59.9485 72.1984 172.0932 160 G 4.6731 8.0324 107.2626 44.3507 0.0000 173.7292 161 R 3.9599 7.7043 121.6880 56.5171 31.0197 176.6843 162 G 3.9029 8.5447 106.5320 46.5915 0.0000 173.9277 163 C 4.0604 7.5558 116.7546 58.9085 32.6820 173.0693 164 H 3.9389 8.8460 125.7245 56.7545 30.7677 175.7045 165 R 3.8775 8.4462 127.2020 59.8849 29.7014 178.3785 166 D 4.3738 8.3121 118.0618 57.4352 40.9163 178.6987 167 I 3.7422 7.6558 119.9270 64.3003 36.9654 178.3094 168 L 4.0432 7.7154 119.0361 57.7535 41.4568 178.9857 169 D 4.4640 8.1386 118.6423 56.9138 40.7868 177.9754 170 L 4.1150 7.5326 119.7034 56.2076 42.5784 177.1478 171 A 4.1324 7.0768 121.0490 52.2904 18.9224 177.0399 172 D 4.6191 8.7345 122.0263 56.7554 41.8880 177.4478 173 T 4.6555 7.6673 113.7022 61.5966 72.9158 173.5154 174 V 4.6993 8.3494 124.4450 61.4506 34.4175 174.3423 175 S 4.8129 9.0155 124.7749 56.6789 65.5994 172.8563 176 E 4.6333 8.7483 125.8744 54.3666 30.4163 175.7440 177 L 4.2456 9.2856 129.1554 54.8367 41.8710 175.6667 178 R 4.5663 8.3227 124.8305 54.1180 31.3002 174.1993 179 P 4.4784 0.0000 0.0000 62.2270 30.7502 176.0419 180 V 3.8165 8.2935 124.8683 65.3379 31.9082 176.3276 181 K 4.7411 7.5940 116.1174 55.3104 35.9801 174.7583 182 H 4.8605 8.2625 115.6697 54.0826 31.5070 173.2657 183 A 4.2228 8.5996 123.9137 52.4300 18.8406 176.9839 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 27 E 8.30 4.28 0.00 2.01 1.97 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 2.30 2.25 0.00 28 R 8.21 4.17 0.00 1.88 1.83 0.00 3.47 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 29 G 9.27 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.33 4.81 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.21 0.90 0.00 0.00 31 I 8.95 4.92 1.84 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 1.22 0.71 0.87 0.00 0.00 32 I 8.79 4.76 1.62 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 0.98 0.75 0.20 0.00 0.00 33 V 8.53 4.61 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 1.03 0.00 0.00 0.86 0.00 0.00 34 F 9.23 5.27 0.00 3.02 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 35 T 8.16 5.30 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 1.22 0.00 0.00 36 G 9.13 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 0.00 0.00 0.00 37 N 8.34 4.68 0.00 2.73 2.88 0.00 0.00 6.83 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 38 G 8.99 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 0.00 0.00 0.00 39 K 8.23 4.14 0.00 1.77 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.39 7.81 40 G 9.04 4.58 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 0.00 0.00 0.00 41 K 8.43 3.86 0.00 1.90 2.10 0.00 1.96 0.00 0.00 2.04 0.00 0.00 3.18 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.74 7.81 42 T 7.92 4.03 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 1.72 0.00 0.00 43 T 7.97 3.98 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 1.24 0.00 0.00 44 A 8.19 3.65 0.19 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 45 A 7.61 4.06 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 46 F 8.68 4.33 0.00 3.23 3.18 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 47 G 8.69 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 48 T 8.26 3.93 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 1.27 0.00 0.00 49 A 8.08 3.98 1.41 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 50 A 8.39 3.97 1.44 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 0.00 0.00 51 R 8.06 3.72 0.00 1.92 2.15 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 52 A 8.23 4.03 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 53 V 8.24 3.66 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 1.04 0.00 0.00 1.02 0.00 0.00 54 G 8.15 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 55 H 7.96 4.77 0.00 3.26 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.30 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.71 4.43 0.00 1.78 1.75 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.44 7.81 58 N 10.25 4.91 0.00 2.67 2.74 0.00 0.00 6.72 7.56 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 59 V 8.46 4.75 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 0.96 0.00 0.00 0.94 0.00 0.00 60 G 8.47 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 0.00 0.00 0.00 0.00 61 V 8.48 4.84 1.58 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 0.68 0.00 0.00 0.58 0.00 0.00 62 V 8.90 4.63 1.96 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 -0.11 0.00 0.00 0.90 0.00 0.00 63 Q 8.98 4.94 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 64 F 9.11 4.15 0.00 3.31 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.64 4.34 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.98 0.00 0.00 66 K 8.68 4.18 0.00 1.70 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.43 7.81 67 G 8.53 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 68 T 8.20 4.06 3.31 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 0.70 0.00 0.00 69 W 7.36 4.87 0.00 3.45 3.04 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 70 P 0.00 4.35 0.00 2.08 2.00 0.00 4.06 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 71 N 8.50 4.69 0.00 2.68 2.56 0.00 0.00 7.05 8.28 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 72 G 8.33 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.92 3.79 0.00 1.44 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 1.54 2.18 0.00 74 R 7.62 2.51 0.00 0.98 1.59 0.00 2.79 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 75 N 8.23 4.18 0.00 2.77 2.81 0.00 0.00 7.04 8.07 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 76 L 7.67 4.08 0.00 1.65 1.81 0.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.23 4.24 0.00 2.15 1.99 1.26 0.90 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 78 E 7.89 4.26 0.00 1.75 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 2.31 2.48 0.00 79 P 0.00 4.43 0.00 1.99 2.05 0.00 3.76 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 2.09 2.14 0.00 80 H 8.44 4.60 0.00 3.38 3.38 0.00 5.88 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 81 G 8.32 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 82 V 7.55 4.25 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 1.16 0.00 0.00 1.08 0.00 0.00 83 E 8.92 4.34 0.00 2.11 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 2.36 2.36 0.00 84 F 8.89 5.13 0.00 3.04 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 9.22 4.52 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 86 V 8.73 4.90 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 1.08 0.00 0.00 1.08 0.00 0.00 *88 A 8.61 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.60 3.92 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 1.20 0.00 0.00 90 G 8.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.86 3.98 0.00 2.84 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.19 4.29 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 1.22 0.00 0.00 93 W 7.53 3.68 0.00 3.46 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 94 E 8.29 4.55 0.00 2.03 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 0.00 2.42 2.35 0.00 95 T 8.92 4.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 96 Q 8.03 4.35 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.14 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 97 N 8.56 4.91 0.00 2.69 2.65 0.00 0.00 7.14 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 98 R 8.28 4.04 0.00 1.92 2.05 0.00 3.20 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.07 0.00 99 E 8.13 3.99 0.00 2.01 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 2.41 2.39 0.00 100 A 7.81 3.99 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 0.00 101 D 8.10 3.89 0.00 2.46 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 0.00 102 T 7.92 4.08 4.36 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 1.39 0.00 0.00 103 A 7.71 4.17 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 0.00 104 A 8.23 4.18 1.41 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 0.00 105 C 8.26 3.96 0.00 3.06 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 *107 A 7.95 4.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.85 3.68 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 0.89 0.00 0.00 109 W 8.75 4.71 0.00 3.64 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 0.00 110 Q 7.75 3.79 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 111 H 7.55 4.33 0.00 3.32 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.31 3.65 0.00 1.24 1.53 0.00 1.48 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.81 0.21 7.81 114 R 7.50 3.86 0.00 1.82 2.01 0.00 3.10 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 *116 L 8.10 4.49 0.00 1.78 1.71 1.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.95 4.52 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 0.00 118 D 7.80 4.66 0.00 2.67 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 0.00 119 P 0.00 4.33 0.00 2.20 2.13 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 120 L 9.56 4.39 0.00 1.75 1.76 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.55 4.46 0.00 1.82 1.61 0.90 1.13 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 0.00 122 D 8.74 4.39 0.00 2.72 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 *124 V 7.60 4.14 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 0.96 0.00 0.00 0.97 0.00 0.00 125 V 8.99 4.51 1.81 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 0.50 0.00 0.00 0.67 0.00 0.00 126 L 8.89 5.22 0.00 1.74 1.97 1.15 1.05 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 0.00 127 D 9.23 4.72 0.00 2.81 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 0.00 128 E 9.41 4.37 0.00 2.52 2.40 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 2.42 2.52 0.00 129 L 8.31 3.27 0.00 1.49 1.67 0.14 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 T 7.71 3.93 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 1.21 0.00 0.00 131 Y 7.21 4.66 0.00 3.42 3.40 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 *133 V 8.00 3.88 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 0.89 0.00 0.00 0.70 0.00 0.00 134 A 8.43 4.16 1.45 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 0.00 135 Y 8.20 4.32 0.00 3.09 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 0.00 136 D 7.65 4.31 0.00 2.70 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 0.00 137 Y 7.85 4.62 0.00 3.18 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 0.00 138 L 7.39 4.66 0.00 1.26 1.41 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.21 0.00 2.24 2.24 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 140 L 8.68 3.76 0.00 1.59 1.58 0.63 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.17 3.94 0.00 2.02 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 2.38 2.35 0.00 142 E 8.16 4.16 0.00 2.37 2.53 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 2.49 2.43 0.00 143 V 7.54 3.75 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 1.10 0.00 0.00 0.32 0.00 0.00 144 I 7.95 3.69 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.79 0.91 0.00 0.00 145 S 8.23 4.08 0.00 3.96 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 0.00 146 A 8.28 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.39 4.14 0.00 1.90 1.76 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.35 4.37 0.00 2.89 2.89 0.00 0.00 7.05 7.29 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 0.00 149 A 7.76 4.40 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 0.00 150 R 6.77 4.29 0.00 2.10 2.01 0.00 3.28 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 151 P 0.00 4.24 0.00 2.13 1.94 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.06 0.00 152 G 8.92 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 0.00 153 H 7.88 4.98 0.00 3.24 3.41 0.00 5.15 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.71 4.49 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 155 T 8.66 4.94 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 1.26 0.00 0.00 156 V 8.92 4.67 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 1.06 0.00 0.00 0.95 0.00 0.00 157 I 8.66 4.91 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 1.01 0.00 0.00 158 I 8.78 5.09 1.84 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 1.32 0.82 0.90 0.00 0.00 159 T 9.57 5.20 4.39 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 1.41 0.00 0.00 160 G 8.03 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.70 3.96 0.00 1.87 1.83 0.00 3.51 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 162 G 8.54 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 C 7.56 4.06 0.00 2.93 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 0.00 164 H 8.85 3.94 0.00 3.20 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.45 3.88 0.00 1.86 1.85 0.00 3.21 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 166 D 8.31 4.37 0.00 2.73 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 0.00 167 I 7.66 3.74 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 0.88 0.00 0.00 168 L 7.72 4.04 0.00 1.77 1.71 0.90 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 0.00 169 D 8.14 4.46 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.53 4.11 0.00 1.77 1.81 1.00 1.03 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 0.00 171 A 7.08 4.13 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 0.00 172 D 8.73 4.62 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 7.67 4.66 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 1.12 0.00 0.00 174 V 8.35 4.70 2.05 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 0.79 0.00 0.00 0.88 0.00 0.00 175 S 9.02 4.81 0.00 4.06 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 0.00 176 E 8.75 4.63 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 177 L 9.29 4.25 0.00 1.85 1.65 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 178 R 8.32 4.57 0.00 2.03 1.84 0.00 3.30 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 179 P 0.00 4.48 0.00 2.25 2.11 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 180 V 8.29 3.82 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 0.82 0.00 0.00 0.99 0.00 0.00 181 K 7.59 4.74 0.00 1.73 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.42 7.81 182 H 8.26 4.86 0.00 3.21 3.22 0.00 5.51 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 0.00 183 A 8.60 4.22 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 * Residues marked with a * may have inaccurate shift predictions.