NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2879 8.1227 122.4721 51.7838 20.8223 174.8751 3 L 4.6897 8.1938 121.7224 53.2957 43.2984 174.7815 4 F 5.0789 9.8718 125.1228 55.7126 43.3143 174.1218 5 G 4.5758 9.3433 106.5926 44.8027 0.0000 171.0575 6 Y 5.6247 9.3162 123.9650 55.6063 42.3627 174.0124 7 A 4.7814 7.9922 126.6552 50.2846 23.0119 174.7535 8 R 4.8355 8.8012 119.8906 55.1689 33.3941 175.3330 9 V 4.5749 7.9272 119.3184 60.6044 34.4175 175.9114 *15 S 4.4490 8.7280 115.8563 59.3558 64.9868 175.9463 16 L 3.9712 7.7887 120.3571 57.7102 41.2844 178.7512 17 D 4.2066 8.0775 118.4508 57.4062 40.6886 178.7164 18 I 3.7163 7.4031 119.7911 64.1488 37.0271 178.4514 19 Q 4.0029 7.7611 118.4159 58.6041 28.9244 178.3440 20 V 3.5587 8.4157 119.7532 66.1298 31.5153 178.3038 21 R 3.9075 8.1851 117.6628 59.2185 29.4145 178.9318 22 A 3.9839 7.6292 120.0399 55.0799 18.3674 179.7390 23 L 4.0045 7.9923 117.6267 57.7302 41.7040 179.7588 24 K 4.2496 8.0556 119.8435 59.0741 31.8358 178.9175 25 D 4.4750 8.2833 117.1342 55.9789 40.8703 177.4489 26 A 4.4588 7.3872 119.4929 51.8436 19.0016 177.6698 27 G 3.7959 7.9978 105.8298 45.4167 0.0000 173.6655 28 V 3.9013 7.6080 119.8398 61.3661 32.4675 176.0268 29 K 4.1052 8.3162 125.9663 55.8395 33.0673 177.7629 30 A 3.9195 8.6445 125.0864 55.4531 18.3338 179.3798 31 N 4.4508 8.0242 109.9617 54.4506 37.6209 175.3281 32 R 4.5327 7.9044 117.5188 56.0315 32.0183 175.0065 33 I 4.7895 7.3843 121.2528 60.0307 38.4354 175.2227 34 F 5.1465 9.4764 126.0986 55.8671 42.3494 174.5954 35 T 5.0600 8.6038 111.2140 60.0732 72.7580 172.1721 36 D 4.8625 8.5530 122.1416 52.7604 44.8179 175.4340 37 K 4.7232 8.8094 122.9893 55.0096 31.2714 176.3527 38 A 4.4047 8.2765 127.2622 51.8437 18.6810 175.6759 39 S 4.4850 8.0802 111.7791 59.5189 66.0615 175.1523 *43 S 4.2710 7.4110 116.6100 57.3525 63.1060 174.0590 44 D 4.6743 8.2977 124.5376 56.5503 41.1494 177.6018 45 R 4.6356 7.7501 117.5490 55.5366 31.3293 177.1069 46 K 3.8903 8.3285 118.2050 60.2698 32.0340 178.4035 47 G 4.0547 8.3400 105.8758 47.4919 0.0000 175.0301 48 L 3.7410 8.6300 123.0264 57.7880 41.8154 178.8041 49 D 4.2540 8.4036 118.5165 57.2054 40.7912 178.3931 50 L 4.0000 7.6923 118.7283 57.4512 41.9479 179.0181 51 L 3.2337 7.3486 120.1799 57.7052 41.7310 180.2173 52 R 3.7678 7.5696 114.4791 56.7367 30.0786 177.5772 *54 K 4.2940 8.0598 121.9665 56.0460 33.9647 176.6581 55 V 3.7413 7.1728 117.6286 61.4761 31.9880 175.2992 56 K 4.6729 9.2834 120.8594 54.0285 36.2500 175.3877 57 E 4.5425 8.1573 120.0780 57.6343 29.5483 177.0987 58 G 4.0572 8.9287 114.9574 45.2192 0.0000 173.4589 59 D 4.9661 8.0523 119.5915 54.3820 42.4763 175.4553 60 V 4.6735 8.8663 120.0049 61.2596 34.9780 174.1402 61 I 4.8900 8.4520 128.0744 59.5665 39.7135 174.4165 62 L 4.8549 8.9590 127.6796 53.5025 43.5257 175.7998 63 V 4.9074 8.3462 123.1676 59.8543 34.3065 175.8165 64 K 4.0848 9.1413 129.3491 59.1305 33.0622 176.5405 65 K 5.1578 8.0710 117.3364 54.0935 36.2254 176.8133 66 L 3.3414 9.0225 123.9725 58.2942 41.9856 179.3689 67 D 4.3911 7.8328 116.5362 57.0981 40.8628 176.7692 68 H 4.7179 7.8346 114.6841 56.5692 29.8821 175.7159 69 L 4.1056 7.9956 122.5203 56.8953 40.8766 178.1716 70 G 3.9666 8.7446 104.3933 45.0198 0.0000 173.9945 71 R 4.2301 8.9904 116.1552 56.9736 29.9425 175.4726 72 D 4.6009 7.4179 116.5972 52.8662 41.9990 175.2813 73 T 4.0455 9.8226 115.6058 66.2739 68.8834 176.0263 74 A 4.1180 8.2627 123.8450 55.5178 18.5484 180.0726 75 D 4.3427 8.5459 112.3753 55.1706 40.9661 177.9984 *77 I 4.1220 7.8635 120.2244 60.9560 39.3693 177.7915 78 Q 3.9325 8.0590 120.3829 59.1650 28.7346 178.2969 79 L 3.8020 7.8624 119.9460 57.8861 41.5969 179.6033 80 I 3.8655 7.8068 119.2064 64.2329 37.1146 178.1027 81 K 3.9026 8.1483 120.4421 59.5998 31.9784 178.7412 82 E 3.8340 8.1420 118.6261 59.3984 29.3137 179.3548 83 F 4.2917 8.0912 118.0812 60.6183 38.9942 177.1791 84 D 4.3628 8.6215 117.8406 57.4127 40.7868 178.1373 85 A 4.0208 7.9343 120.2111 55.0543 18.6732 178.6678 86 Q 4.1866 8.1522 116.3676 56.2085 29.2902 176.1725 87 G 4.1016 8.3489 107.5701 47.4218 0.0000 172.8284 88 V 4.8568 8.1475 119.7473 60.6618 33.5928 174.9122 89 S 4.8187 8.4051 122.1234 57.0560 65.7409 172.9032 90 I 4.6362 8.5939 122.7608 59.4364 39.9509 174.3470 91 R 4.7579 8.5693 127.2681 54.4419 32.8664 174.4316 92 F 5.0266 9.1526 126.0329 56.4228 39.5831 176.8481 93 I 3.7271 8.9286 126.4016 64.6612 37.1873 177.9290 94 D 4.5548 8.4057 119.0282 57.3157 40.7947 177.8605 95 D 4.3805 8.2152 117.6380 55.2246 41.0653 176.8839 96 G 3.9825 8.3605 106.3788 46.3193 0.0000 173.2960 97 I 4.7452 7.6707 118.5554 59.0190 40.9445 174.6193 98 S 5.2359 8.4773 116.6228 56.9001 65.7689 173.5463 99 T 4.4668 8.7719 109.7486 62.0333 68.4902 174.9352 100 D 4.8468 7.8517 119.8666 54.3975 41.0748 175.7189 101 S 4.6122 7.6071 111.0563 56.7890 65.8191 175.1889 102 Y 4.2304 8.0828 119.7857 60.0448 38.2507 177.4811 103 I 3.9385 7.4414 120.7407 64.1895 37.8091 177.3016 104 G 3.8959 8.3695 109.5173 48.8007 0.0000 177.1767 105 K 4.1403 8.2002 119.0716 56.2730 31.4555 179.3288 *107 V 3.9943 7.9532 120.6059 63.0219 33.3569 177.4847 108 V 3.5132 7.9526 118.8120 66.3173 31.3147 178.0984 109 T 3.8425 8.0052 115.3203 66.6721 68.3257 176.4585 110 I 3.6978 7.7790 121.1031 64.5992 37.0891 178.3144 111 L 3.9588 8.1594 119.8625 57.6558 41.2374 179.4016 112 S 3.9865 8.2872 113.1498 61.4169 62.3091 176.0970 113 A 3.9867 8.0323 123.2933 55.1474 18.2197 179.8237 114 V 3.4759 7.9266 116.4441 66.1662 31.6398 178.1922 115 A 4.0093 8.2667 120.8361 54.9905 18.1625 179.4395 116 Q 3.8606 8.5333 118.4418 59.3208 29.1486 178.2460 117 A 4.0073 7.9797 121.8207 55.2755 18.3832 179.5027 118 E 3.9172 8.1132 116.6113 59.4790 29.4780 179.6852 119 R 3.9282 7.8115 117.7264 59.5623 30.1819 179.2202 120 Q 4.0013 8.0747 117.6719 58.6617 28.6518 178.7354 121 R 3.8748 8.1832 119.9711 59.5842 29.9539 178.7079 122 I 3.7495 7.5607 118.2947 64.3610 37.1244 178.1678 123 L 4.1478 7.9371 119.1736 57.7673 41.4882 179.0665 124 E 4.1319 8.0794 117.9157 58.9370 29.5141 177.4355 125 R 4.1964 7.9779 122.5112 56.5942 30.3284 175.7976 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 2 A 8.12 4.29 1.15 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 0.00 0.00 3 L 8.19 4.69 0.00 1.68 1.49 0.96 0.37 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 4 F 9.87 5.08 0.00 3.06 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 5 G 9.34 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 6 Y 9.32 5.62 0.00 3.07 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 7 A 7.99 4.78 1.08 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 0.00 0.00 8 R 8.80 4.84 0.00 1.56 1.73 0.00 3.33 0.00 0.00 3.44 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 9 V 7.93 4.57 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 0.70 0.00 0.00 0.97 0.00 0.00 *15 S 8.73 4.45 0.00 3.89 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 16 L 7.79 3.97 0.00 1.65 1.67 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.08 4.21 0.00 2.67 2.70 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 18 I 7.40 3.72 2.04 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 1.52 0.84 0.91 0.00 0.00 19 Q 7.76 4.00 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 20 V 8.42 3.56 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 1.00 0.00 0.00 0.93 0.00 0.00 21 R 8.19 3.91 0.00 1.96 1.95 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 22 A 7.63 3.98 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 23 L 7.99 4.00 0.00 1.86 1.73 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.06 4.25 0.00 1.96 1.83 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.47 7.81 25 D 8.28 4.48 0.00 2.66 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 26 A 7.39 4.46 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 27 G 8.00 3.80 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 0.00 0.00 0.00 28 V 7.61 3.90 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 0.94 0.00 0.00 0.98 0.00 0.00 29 K 8.32 4.11 0.00 1.75 1.72 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.36 7.81 30 A 8.64 3.92 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 31 N 8.02 4.45 0.00 2.78 2.89 0.00 0.00 5.84 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 32 R 7.90 4.53 0.00 1.73 1.70 0.00 2.51 0.00 0.00 2.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.00 33 I 7.38 4.79 1.78 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 1.22 0.67 0.89 0.00 0.00 34 F 9.48 5.15 0.00 3.26 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.60 5.06 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 1.15 0.00 0.00 36 D 8.55 4.86 0.00 2.72 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 37 K 8.81 4.72 0.00 1.65 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 8.28 4.40 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 39 S 8.08 4.48 0.00 3.99 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 *43 S 7.41 4.27 0.00 4.07 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 44 D 8.30 4.67 0.00 2.72 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.75 4.64 0.00 1.74 2.05 0.00 3.32 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 46 K 8.33 3.89 0.00 1.85 1.91 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.59 7.81 47 G 8.34 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 48 L 8.63 3.74 0.00 1.73 1.79 0.45 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.40 4.25 0.00 2.82 2.66 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 50 L 7.69 4.00 0.00 1.60 1.56 1.12 0.82 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 51 L 7.35 3.23 0.00 1.46 1.51 0.77 0.29 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 52 R 7.57 3.77 0.00 1.78 1.72 0.00 3.03 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.67 0.00 *54 K 8.06 4.29 0.00 1.83 1.73 0.00 2.17 0.00 0.00 2.35 0.00 0.00 3.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.56 7.81 55 V 7.17 3.74 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 0.86 0.00 0.00 0.71 0.00 0.00 56 K 9.28 4.67 0.00 1.81 1.72 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.38 7.81 57 E 8.16 4.54 0.00 1.94 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 2.32 2.31 0.00 58 G 8.93 4.06 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 0.00 0.00 0.00 59 D 8.05 4.97 0.00 2.81 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 60 V 8.87 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 0.94 0.00 0.00 0.93 0.00 0.00 61 I 8.45 4.89 1.50 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.33 0.81 0.00 0.00 62 L 8.96 4.85 0.00 1.55 1.57 0.91 0.57 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 63 V 8.35 4.91 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 1.47 0.00 0.00 0.88 0.00 0.00 64 K 9.14 4.08 0.00 1.98 1.94 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.64 7.81 65 K 8.07 5.16 0.00 1.42 1.47 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.44 7.81 66 L 9.02 3.34 0.00 1.57 1.43 0.51 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.83 4.39 0.00 2.58 2.70 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 68 H 7.83 4.72 0.00 3.40 3.36 0.00 5.65 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 69 L 8.00 4.11 0.00 1.90 1.64 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.74 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 71 R 8.99 4.23 0.00 1.95 2.10 0.00 3.13 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00 72 D 7.42 4.60 0.00 3.04 2.68 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 73 T 9.82 4.05 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 74 A 8.26 4.12 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 75 D 8.55 4.34 0.00 2.85 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 *77 I 7.86 4.12 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.93 0.92 0.00 0.00 78 Q 8.06 3.93 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 79 L 7.86 3.80 0.00 1.82 1.80 0.95 0.68 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 80 I 7.81 3.87 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.89 1.00 0.00 0.00 81 K 8.15 3.90 0.00 1.94 2.00 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.48 7.81 82 E 8.14 3.83 0.00 1.80 1.61 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 2.18 2.36 0.00 83 F 8.09 4.29 0.00 3.08 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 84 D 8.62 4.36 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 7.93 4.02 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 86 Q 8.15 4.19 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.84 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 87 G 8.35 4.10 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 0.00 0.00 0.00 88 V 8.15 4.86 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.01 0.00 0.00 89 S 8.41 4.82 0.00 3.91 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.59 4.64 1.62 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 0.65 0.43 0.16 0.00 0.00 91 R 8.57 4.76 0.00 1.77 1.66 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 92 F 9.15 5.03 0.00 3.16 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 93 I 8.93 3.73 1.92 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 1.31 0.35 0.94 0.00 0.00 94 D 8.41 4.55 0.00 2.89 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 95 D 8.22 4.38 0.00 2.73 2.70 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 96 G 8.36 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 97 I 7.67 4.75 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.55 0.98 0.00 0.00 98 S 8.48 5.24 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 99 T 8.77 4.47 4.32 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 1.38 0.00 0.00 100 D 7.85 4.85 0.00 2.66 2.67 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 0.00 101 S 7.61 4.61 0.00 3.72 3.80 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 0.00 102 Y 8.08 4.23 0.00 3.03 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 0.00 103 I 7.44 3.94 1.75 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 1.44 0.22 0.91 0.00 0.00 104 G 8.37 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 0.00 105 K 8.20 4.14 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.72 7.81 *107 V 7.95 3.99 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 1.05 0.00 0.00 1.00 0.00 0.00 108 V 7.95 3.51 2.28 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 1.03 0.00 0.00 1.13 0.00 0.00 109 T 8.01 3.84 4.26 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 1.22 0.00 0.00 110 I 7.78 3.70 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 0.90 0.00 0.00 111 L 8.16 3.96 0.00 1.72 1.63 0.87 0.92 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 0.00 112 S 8.29 3.99 0.00 3.86 3.99 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 0.00 113 A 8.03 3.99 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 0.00 114 V 7.93 3.48 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 0.99 0.00 0.00 0.94 0.00 0.00 115 A 8.27 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 0.00 116 Q 8.53 3.86 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 117 A 7.98 4.01 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 0.00 118 E 8.11 3.92 0.00 2.17 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 2.46 2.48 0.00 119 R 7.81 3.93 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 120 Q 8.07 4.00 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 121 R 8.18 3.87 0.00 1.96 2.08 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 122 I 7.56 3.75 2.00 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 1.52 0.72 0.91 0.00 0.00 123 L 7.94 4.15 0.00 1.83 1.73 0.92 0.80 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 0.00 124 E 8.08 4.13 0.00 2.09 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 2.34 2.48 0.00 125 R 7.98 4.20 0.00 1.94 1.96 0.00 3.29 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 * Residues marked with a * may have inaccurate shift predictions.