NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7667 8.0549 120.2752 61.2433 32.5902 174.4925 2 V 3.9948 7.7194 114.7310 58.8567 33.6494 173.8630 3 W 4.9923 8.4057 125.8512 55.9200 31.2618 176.8776 4 T 4.3767 9.0507 113.9139 61.2206 70.6213 175.4691 5 D 4.4369 8.8130 122.1384 57.8230 40.8803 179.1085 6 F 4.0883 8.3071 120.2526 61.3383 39.4877 176.8345 7 E 3.9266 8.4716 118.1244 59.3361 29.2514 179.1010 8 R 3.4850 8.0660 118.4201 59.5644 30.0521 178.4707 9 A 3.9217 7.7875 120.2429 55.2008 18.2412 179.7862 10 T 3.5546 7.5564 114.3661 66.6256 68.4154 176.9995 11 I 3.6564 7.5968 121.4215 64.3680 37.1251 178.4152 12 A 3.9429 7.5675 121.3363 55.0478 17.9255 179.1697 13 D 4.2388 8.0419 115.9403 57.4093 41.5179 178.1896 14 I 3.7428 8.0533 120.6500 64.6759 37.1763 178.5571 15 F 4.0221 8.3588 118.5873 60.3035 38.4971 177.7464 16 S 4.2733 8.2203 112.9487 60.4435 62.7916 175.6272 17 K 4.2959 7.9211 120.4700 55.4903 32.7204 176.0571 18 L 4.3596 7.1591 120.2292 53.2966 42.9886 176.5151 19 D 4.4730 8.4973 122.6227 53.8055 41.5492 176.2511 20 Y 4.5081 8.4390 126.4303 61.0978 37.9624 178.3480 21 E 4.2399 8.5984 120.8083 58.7246 29.9779 178.3607 22 A 3.9809 8.6850 121.1601 55.3645 18.4606 179.8243 23 V 3.6354 8.3852 117.1262 66.0586 31.6257 178.5263 24 G 3.6884 8.4276 105.7690 47.6916 0.0000 176.0500 25 G 3.5881 8.2807 108.0578 47.4992 0.0000 175.7603 26 A 4.0349 8.1274 123.3372 54.9869 18.3493 180.0146 27 T 3.7975 8.0807 114.4145 66.7500 68.5349 176.8571 28 L 3.8917 8.0123 122.0325 57.9289 42.0940 178.7369 29 A 3.8669 7.8205 120.4942 55.0705 18.3481 179.3419 30 R 3.7474 8.0084 117.2262 59.8253 30.0198 178.2011 31 C 4.1385 8.0797 118.1327 62.6328 31.7599 175.6043 32 L 3.8988 8.1575 120.4451 57.1539 40.8268 179.4136 33 I 3.8107 7.3249 119.1265 63.7991 37.5865 178.0287 34 V 3.5284 7.8542 118.1019 64.3914 32.8270 175.7589 35 Y 3.8330 7.3605 116.2858 54.6439 37.7044 174.3624 36 P 4.8259 0.0000 0.0000 64.0204 31.9907 177.8455 37 W 4.3943 7.9273 115.6743 59.3455 27.7729 177.9872 38 T 4.3236 7.6628 110.5426 64.2174 68.1299 176.2604 39 Q 4.1539 8.0043 121.6108 59.0646 28.4112 178.6148 40 R 3.8052 7.6711 118.7870 59.7416 30.1109 177.9671 41 Y 4.0971 7.2321 114.7212 59.6096 38.1374 176.6400 42 F 4.7576 8.0878 119.7141 56.9215 39.5667 177.2146 43 G 4.0042 8.4058 108.1486 47.1117 0.0000 174.2599 44 N 5.1524 8.2854 117.0403 53.3798 39.4723 174.6581 45 F 4.7046 8.5384 114.1390 57.1775 40.2435 178.1274 46 G 3.9215 8.1325 108.2171 46.3133 0.0000 174.7399 47 N 4.5658 8.7548 122.3940 52.7075 39.0560 174.3064 48 L 4.5472 8.2755 122.8938 52.4136 44.6416 176.0929 *50 N 4.4773 8.4989 120.7030 53.1549 41.1605 174.7939 51 A 3.9579 8.3311 127.3913 55.2767 18.7176 180.1199 52 A 3.9091 8.0976 118.5834 54.9537 18.2168 179.6756 53 A 3.9243 7.7955 118.4024 55.3457 18.7827 179.4393 54 I 3.7791 7.7635 118.3330 65.0055 36.9599 178.6467 55 M 4.2300 8.2117 118.5267 57.5741 31.7856 178.0379 56 G 4.1287 7.6374 103.1572 43.5075 0.0000 173.2606 57 N 4.6635 7.6036 120.8857 51.9558 39.7692 173.9850 58 P 4.3241 0.0000 0.0000 66.2552 31.5519 178.4204 59 M 4.1026 8.1647 117.9819 58.0183 31.8605 178.6348 60 I 3.7544 8.1769 120.0741 64.1409 37.3582 178.1198 61 A 3.9902 8.0912 121.6541 55.1244 18.2290 179.5894 62 K 3.9252 8.3872 118.3718 60.0765 32.3189 178.5528 63 H 4.5077 8.8185 118.8764 59.0238 29.9250 177.3784 64 G 3.6574 8.3746 107.8936 47.9976 0.0000 175.7937 65 T 3.9847 7.8596 117.4754 66.8137 68.4752 176.6970 66 T 3.9397 7.9505 117.6003 66.7611 68.3917 176.5583 67 I 3.6815 7.7172 121.4679 64.4914 37.1058 178.4081 68 L 3.9077 7.7773 119.3019 58.2580 41.4168 179.4469 69 H 4.2795 8.4235 116.1929 58.5421 28.6954 178.1537 70 G 3.6012 8.2390 107.9044 47.7517 0.0000 175.8538 71 L 4.4635 8.2128 123.1859 57.1040 41.7181 178.8201 72 D 4.0086 8.2666 118.3903 57.3113 40.7598 178.3814 73 R 3.9075 7.9047 118.0116 59.5310 30.4168 177.9841 74 A 4.0444 7.7423 119.4939 55.1717 18.1140 179.5164 75 V 3.2713 7.4962 115.7016 65.9896 31.5341 177.6924 76 K 4.2897 7.7889 115.0885 56.9078 32.9747 176.4362 77 N 5.1397 8.1109 117.6573 52.2390 39.6656 176.1766 78 M 4.1255 8.3624 119.2205 58.5902 32.3558 177.6433 79 D 4.9943 8.0650 115.0803 54.2797 41.5093 176.2284 80 N 5.0571 8.4725 119.7329 51.7183 39.5850 176.8459 81 I 3.5649 8.0958 120.0666 63.7981 37.1450 177.3059 82 K 3.7675 7.9445 118.7602 59.7032 32.3443 178.1446 83 A 4.1476 7.9549 120.2918 55.5116 18.1141 179.5028 84 T 3.9679 7.7966 113.4057 66.3180 68.6230 175.4177 85 Y 4.6071 7.9460 116.3088 57.6670 38.0327 177.2016 86 A 4.0047 7.8722 124.8094 55.5408 18.4028 180.3393 87 E 3.9250 8.0879 116.4344 59.4810 29.5684 179.3112 88 L 3.9280 7.8108 118.5967 57.7693 41.6540 179.3980 89 S 4.4857 8.2517 114.6690 60.8322 62.2969 176.3235 90 V 4.0041 7.4953 122.0928 65.2795 31.1831 177.6109 91 L 3.8786 8.0721 120.1186 58.7703 41.9942 178.8013 92 H 4.2077 8.6727 115.7888 58.0815 28.6478 176.5150 93 S 4.4071 8.0955 114.6426 60.4880 62.8463 175.8532 94 E 3.9103 8.5767 121.2774 58.3974 29.0895 178.9164 95 K 4.0635 7.7566 117.8759 57.8945 33.1831 177.0151 96 L 4.3198 7.9499 116.6858 54.5107 42.6875 176.0214 97 H 4.0574 7.6626 114.8079 56.5643 26.6553 175.6980 98 V 3.1411 7.7604 118.6420 61.7572 31.8646 174.9953 99 D 4.3601 8.2141 127.7449 53.9533 41.7697 175.6556 100 P 4.1715 0.0000 0.0000 65.2929 32.0371 177.9012 101 D 4.4028 8.3118 119.7296 57.8245 40.6598 178.5653 102 N 4.2805 7.9930 116.5518 56.2755 38.3828 177.4424 103 F 4.3989 7.3933 118.9566 60.4143 38.8422 177.8690 104 K 4.0714 7.9533 117.8395 59.2041 31.9902 179.1159 105 L 3.7838 7.7705 119.3117 57.7808 41.4941 179.4378 106 L 4.0511 8.0158 120.0861 58.1883 41.9469 179.0296 107 S 4.2017 8.3299 115.2103 61.8127 62.8149 176.4522 108 D 4.4595 8.5081 121.7412 57.5767 40.5351 178.6061 109 C 4.1645 8.2834 117.1620 62.7338 28.1922 175.7486 110 L 3.9744 8.3690 122.2222 58.7183 41.6568 179.1067 111 T 4.0936 8.3534 115.6888 66.9802 68.4338 176.7042 112 I 3.8004 7.9422 121.6284 64.0710 37.0596 178.6604 113 V 3.4706 7.9356 119.3296 65.9544 31.3056 178.2685 114 V 3.2195 8.0387 118.0544 65.6634 31.2500 177.5497 115 A 3.2926 7.6411 120.6195 55.1587 17.9329 179.5614 116 A 3.9021 7.5052 117.6952 55.0555 18.4604 179.5084 117 Q 3.9457 7.4853 116.8427 59.4187 29.2456 178.0486 118 L 4.1476 8.2612 119.5527 54.7854 42.1072 178.4436 119 G 3.8923 8.5511 108.2424 46.3493 0.0000 177.3508 120 K 3.9488 8.8423 124.1163 58.6597 32.1819 177.6913 121 A 4.1087 7.5771 120.7404 54.6008 18.7864 177.9503 122 F 4.4749 7.9365 120.6564 57.1048 37.8484 175.0378 123 S 4.5680 7.5253 120.7819 57.1276 65.9097 175.2676 124 G 3.6103 8.4617 107.9357 48.0664 0.0000 175.3923 125 E 3.9779 8.0559 121.2165 58.7687 29.6771 178.9623 126 V 3.6212 7.7632 118.3749 66.0913 31.6622 177.7260 127 Q 3.5834 7.9365 119.4533 58.9671 28.7034 178.2070 128 A 4.0424 8.2191 121.6061 55.1324 18.4688 179.5360 129 A 4.1499 8.0010 119.3372 55.2774 18.4508 179.5294 130 F 4.3854 8.5341 119.3221 61.7845 39.4078 177.1889 131 Q 3.9982 9.0254 119.4767 58.7987 28.8326 177.9291 132 K 3.9458 8.4317 120.8874 59.4986 32.2404 178.2285 133 F 4.5896 8.5935 120.8012 61.7968 39.2415 177.1126 134 L 3.6808 8.1500 118.4018 57.7500 41.3130 179.7111 135 S 4.0864 8.3702 115.4842 61.5224 62.6755 176.9969 136 V 3.4446 7.8182 120.8604 65.7726 31.3194 178.1503 137 V 3.0762 7.4454 118.1035 66.0234 31.3331 178.2481 138 V 3.3113 7.9198 118.2707 65.7482 31.0873 177.8081 139 S 4.0203 7.9011 112.0358 61.3975 62.3088 175.8420 140 A 4.0869 7.9188 122.1625 54.4928 18.3686 179.0110 141 L 4.1589 7.7854 117.6737 55.9416 41.7196 177.5941 142 G 4.1275 7.1665 107.1160 44.1787 0.0000 172.9538 143 K 3.6064 8.4770 120.0935 56.8967 32.3090 175.7126 144 Q 4.3239 8.2697 124.6352 55.0244 29.3795 175.0928 145 Y 4.4944 8.3261 119.9315 58.2011 39.1845 175.5687 146 H 4.5838 7.8404 121.6812 55.9071 29.7131 173.1249 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 3.77 1.66 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 0.61 0.00 0.00 -0.36 0.00 0.00 2 V 7.72 3.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.86 0.00 0.00 3 W 8.41 4.99 0.00 3.29 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 4 T 9.05 4.38 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 1.31 0.00 0.00 5 D 8.81 4.44 0.00 2.79 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 6 F 8.31 4.09 0.00 3.11 3.14 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 0.00 0.00 0.00 7 E 8.47 3.93 0.00 2.54 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 8 R 8.07 3.48 0.00 2.07 1.96 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 9 A 7.79 3.92 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 10 T 7.56 3.55 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 1.05 0.00 0.00 11 I 7.60 3.66 1.45 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 1.41 0.33 0.16 0.00 0.00 12 A 7.57 3.94 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.04 4.24 0.00 2.69 2.79 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 14 I 8.05 3.74 1.96 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 1.42 0.51 0.36 0.00 0.00 15 F 8.36 4.02 0.00 3.07 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 16 S 8.22 4.27 0.00 4.02 4.16 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 17 K 7.92 4.30 0.00 1.84 1.82 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.42 7.81 18 L 7.16 4.36 0.00 1.88 1.66 0.40 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.50 4.47 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 20 Y 8.44 4.51 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.60 4.24 0.00 2.10 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 0.00 2.41 2.29 0.00 22 A 8.69 3.98 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 23 V 8.39 3.64 2.19 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 0.95 0.00 0.00 0.92 0.00 0.00 24 G 8.43 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 0.00 0.00 0.00 25 G 8.28 3.59 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 0.00 0.00 0.00 26 A 8.13 4.03 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 27 T 8.08 3.80 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 1.27 0.00 0.00 28 L 8.01 3.89 0.00 1.70 1.57 0.61 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.82 3.87 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 30 R 8.01 3.75 0.00 2.07 2.09 0.00 3.09 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 C 8.08 4.14 0.00 3.09 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 32 L 8.16 3.90 0.00 1.61 1.62 0.61 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.32 3.81 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.83 0.00 0.00 34 V 7.85 3.53 1.46 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 -0.09 0.00 0.00 0.72 0.00 0.00 35 Y 7.36 3.83 0.00 2.49 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 36 P 0.00 4.83 0.00 2.22 2.09 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 37 W 7.93 4.39 0.00 3.57 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 38 T 7.66 4.32 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 1.12 0.00 0.00 39 Q 8.00 4.15 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 40 R 7.67 3.81 0.00 1.71 1.74 0.00 3.14 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.45 0.00 41 Y 7.23 4.10 0.00 2.64 2.52 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 0.00 42 F 8.09 4.76 0.00 2.97 2.38 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 43 G 8.41 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.29 5.15 0.00 2.80 2.84 0.00 0.00 6.88 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 45 F 8.54 4.70 0.00 3.07 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 46 G 8.13 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 47 N 8.75 4.57 0.00 2.75 2.79 0.00 0.00 6.52 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.28 4.55 0.00 1.60 1.55 0.99 1.03 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 *50 N 8.50 4.48 0.00 2.78 2.72 0.00 0.00 7.07 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.33 3.96 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 52 A 8.10 3.91 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 53 A 7.80 3.92 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 54 I 7.76 3.78 1.96 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 1.49 1.49 0.85 0.00 0.00 55 M 8.21 4.23 0.00 1.97 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.90 0.00 56 G 7.64 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.60 4.66 0.00 2.97 2.82 0.00 0.00 6.96 9.04 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 58 P 0.00 4.32 0.00 2.31 2.30 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 59 M 8.16 4.10 0.00 1.94 2.35 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.57 0.00 60 I 8.18 3.75 2.04 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 1.33 0.79 0.80 0.00 0.00 61 A 8.09 3.99 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 62 K 8.39 3.93 0.00 1.82 2.08 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.51 1.63 7.81 63 H 8.82 4.51 0.00 3.82 3.43 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.37 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 65 T 7.86 3.98 4.51 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 0.00 0.00 0.00 1.37 0.00 0.00 66 T 7.95 3.94 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 1.26 0.00 0.00 67 I 7.72 3.68 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.95 0.00 0.00 68 L 7.78 3.91 0.00 1.75 1.16 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.42 4.28 0.00 3.44 3.43 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.24 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.46 0.00 2.01 2.04 1.14 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.27 4.01 0.00 2.70 2.91 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 73 R 7.90 3.91 0.00 1.94 2.28 0.00 3.45 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 74 A 7.74 4.04 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 75 V 7.50 3.27 1.83 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 0.58 0.00 0.00 -0.32 0.00 0.00 76 K 7.79 4.29 0.00 1.77 1.82 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.59 7.81 77 N 8.11 5.14 0.00 2.81 2.73 0.00 0.00 6.88 6.97 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 78 M 8.36 4.13 0.00 1.66 2.06 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.54 0.00 79 D 8.06 4.99 0.00 2.73 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.47 5.06 0.00 2.71 2.69 0.00 0.00 7.21 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 81 I 8.10 3.56 1.75 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.35 0.00 0.00 82 K 7.94 3.77 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.50 7.81 83 A 7.95 4.15 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 84 T 7.80 3.97 4.43 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 1.36 0.00 0.00 85 Y 7.95 4.61 0.00 3.04 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 86 A 7.87 4.00 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 87 E 8.09 3.92 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 88 L 7.81 3.93 0.00 1.54 1.48 0.21 0.74 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 89 S 8.25 4.49 0.00 4.05 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 90 V 7.50 4.00 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 1.34 0.00 0.00 0.94 0.00 0.00 91 L 8.07 3.88 0.00 1.75 1.85 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.67 4.21 0.00 3.35 3.60 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.10 4.41 0.00 3.90 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 94 E 8.58 3.91 0.00 2.19 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 2.29 2.32 0.00 95 K 7.76 4.06 0.00 1.71 1.95 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.50 7.81 96 L 7.95 4.32 0.00 1.75 1.65 0.74 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.66 4.06 0.00 3.35 3.41 0.00 5.85 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.76 3.14 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 -0.25 0.00 0.00 0.53 0.00 0.00 99 D 8.21 4.36 0.00 2.75 2.54 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 0.00 100 P 0.00 4.17 0.00 2.39 2.49 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 101 D 8.31 4.40 0.00 2.84 2.79 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 0.00 102 N 7.99 4.28 0.00 2.38 2.62 0.00 0.00 7.03 8.29 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 0.00 103 F 7.39 4.40 0.00 3.21 2.98 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 0.00 104 K 7.95 4.07 0.00 1.94 1.88 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.52 7.81 105 L 7.77 3.78 0.00 1.68 1.19 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.02 4.05 0.00 1.83 1.75 0.97 0.88 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 0.00 107 S 8.33 4.20 0.00 4.15 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 0.00 108 D 8.51 4.46 0.00 2.99 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 0.00 109 C 8.28 4.16 0.00 3.23 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 0.00 110 L 8.37 3.97 0.00 1.88 2.01 0.97 0.94 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 0.00 111 T 8.35 4.09 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 112 I 7.94 3.80 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.90 0.00 0.00 113 V 7.94 3.47 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 0.93 0.00 0.00 0.96 0.00 0.00 114 V 8.04 3.22 1.66 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 0.13 0.00 0.00 0.65 0.00 0.00 115 A 7.64 3.29 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 0.00 116 A 7.51 3.90 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 0.00 117 Q 7.49 3.95 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 118 L 8.26 4.15 0.00 1.64 1.70 0.85 0.82 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 0.00 119 G 8.55 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 0.00 120 K 8.84 3.95 0.00 1.75 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 121 A 7.58 4.11 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 0.00 122 F 7.94 4.47 0.00 2.87 3.10 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 0.00 0.00 0.00 123 S 7.53 4.57 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 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 0.00 125 E 8.06 3.98 0.00 1.98 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 2.08 2.29 0.00 126 V 7.76 3.62 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 0.87 0.00 0.00 1.03 0.00 0.00 127 Q 7.94 3.58 0.00 1.51 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 128 A 8.22 4.04 1.48 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 0.00 0.00 129 A 8.00 4.15 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 0.00 130 F 8.53 4.39 0.00 3.31 3.43 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 0.00 131 Q 9.03 4.00 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 132 K 8.43 3.95 0.00 2.09 2.28 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.45 1.40 7.81 133 F 8.59 4.59 0.00 3.17 3.23 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 0.00 134 L 8.15 3.68 0.00 1.64 1.61 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.37 4.09 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 0.00 136 V 7.82 3.44 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.85 0.00 0.00 137 V 7.45 3.08 1.82 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 0.87 0.00 0.00 -0.07 0.00 0.00 138 V 7.92 3.31 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 0.97 0.00 0.00 0.94 0.00 0.00 139 S 7.90 4.02 0.00 3.92 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 0.00 140 A 7.92 4.09 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 0.00 141 L 7.79 4.16 0.00 1.36 0.71 0.63 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.17 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.48 3.61 0.00 1.63 1.54 0.00 1.67 0.00 0.00 1.42 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.74 1.24 7.81 144 Q 8.27 4.32 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 145 Y 8.33 4.49 0.00 2.71 2.76 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 0.00 146 H 7.84 4.58 0.00 3.13 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.