NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2275 8.4181 114.6850 57.9474 64.5494 175.2758 2 V 3.6044 7.6471 120.1285 64.3182 30.9749 173.2947 3 V 3.5662 8.4817 120.2354 66.0153 31.9237 178.8241 4 E 3.9661 7.9315 117.8047 59.2811 29.3203 178.7364 5 L 4.0983 8.1367 120.5073 58.3359 42.1063 179.3335 6 G 3.6789 8.2691 105.4371 47.7308 0.0000 175.8083 7 K 4.0627 8.0743 120.6368 59.5158 32.0485 179.3017 8 M 4.2172 8.2786 118.9494 58.4319 31.8654 178.7375 9 I 3.5956 7.7462 119.8217 64.5138 37.3231 178.4832 10 I 4.4536 7.6635 121.6797 64.1915 36.7499 178.5330 11 Q 4.0406 8.1361 117.6409 58.8535 28.5799 178.3089 12 E 4.2347 8.4585 119.0542 58.4174 30.0337 178.0850 13 T 4.4152 8.3336 107.5092 60.8085 70.1700 175.8214 14 G 3.7752 8.0232 110.1320 46.0452 0.0000 173.2320 *16 K 4.7573 7.7829 117.8748 56.0646 33.2664 175.2921 17 S 4.7805 8.3528 116.2050 56.7422 64.5876 172.3139 18 P 4.5260 0.0000 0.0000 65.5108 30.9355 175.7901 19 F 4.9530 8.1573 120.0109 55.6300 40.5327 173.1797 20 P 4.0535 0.0000 0.0000 61.6510 31.9593 176.4717 21 S 4.2531 7.7754 115.0131 60.7595 62.4310 174.5669 22 Y 4.8291 8.4489 114.9754 57.6145 39.0305 177.2865 23 T 3.9675 7.9637 110.6894 63.9462 69.4461 176.4489 24 S 4.8899 7.6988 115.1884 59.3891 64.3489 173.2055 25 Y 4.3651 8.3757 123.1432 59.2528 39.6235 176.2773 26 G 3.3014 7.9276 116.4887 46.7584 0.0000 172.9049 27 C 4.3185 8.5793 114.5396 57.9698 38.2664 174.9440 28 F 4.5782 8.5888 116.5752 57.3478 41.0509 174.3799 29 C 4.6336 8.3780 119.3347 58.1865 40.0909 174.5751 30 G 4.5833 7.9055 112.6327 46.0694 0.0000 171.8866 31 G 4.2269 8.1880 104.4874 43.3021 0.0000 172.6950 32 G 4.4993 7.7314 105.0890 44.3160 0.0000 173.6199 33 E 4.7101 8.3370 119.1046 57.4447 32.4992 177.0477 34 R 4.1968 7.9189 116.5776 55.8260 30.7973 177.1064 35 G 4.5989 8.3557 110.1016 45.3670 0.0000 170.7729 36 P 5.1636 0.0000 0.0000 61.4202 32.6425 175.2016 37 P 4.8089 0.0000 0.0000 62.9112 31.8235 176.7141 38 L 3.9074 9.1959 121.6889 57.6473 41.9071 176.4098 39 D 4.5496 7.4213 115.1930 51.6193 41.7085 174.9720 40 A 3.9764 8.7966 119.5324 56.1009 18.1397 180.0317 41 T 3.7887 7.9149 113.7207 66.8729 68.6435 176.2753 42 D 4.5382 8.8266 120.0880 57.4998 41.1798 178.5283 43 R 3.8885 8.3709 118.8487 59.0314 29.9892 178.2977 44 C 4.2029 8.0444 116.6314 60.3572 41.0311 175.5742 45 C 4.2161 7.9995 117.8331 59.7262 39.3858 175.9879 46 L 3.6072 7.8245 121.7792 58.0090 41.5246 178.9213 47 A 3.8739 8.0542 120.8597 55.2112 18.2311 179.1606 48 H 3.9369 8.0952 116.9420 59.3284 29.7071 177.4076 49 S 3.9359 7.9004 113.9483 61.6345 62.4234 175.2004 50 C 4.4214 8.4033 119.4886 60.0275 40.3847 175.2512 51 C 4.2119 8.3172 120.3549 60.0434 44.2795 175.3326 52 Y 4.1313 8.0950 118.1516 61.0742 37.1820 177.9371 53 D 4.6146 7.8291 118.3653 56.1304 40.9881 177.4751 54 T 4.3968 7.7933 109.5071 61.4016 70.2194 174.6376 55 L 4.9487 7.6126 121.0101 53.6760 42.0560 175.4999 56 P 4.2417 0.0000 0.0000 65.2193 32.2835 177.8981 *59 D 4.8474 7.8678 117.0954 53.3955 41.1950 175.3062 *61 C 5.2386 7.5235 116.5257 57.5667 41.2976 173.1682 *67 S 5.0172 8.2184 114.4431 57.6532 62.5189 172.8055 68 P 3.9506 0.0000 0.0000 65.0816 31.3577 178.6621 69 K 4.3133 7.9038 117.6213 57.6325 32.5181 177.8942 70 T 4.4762 7.6448 105.7416 61.0139 70.4241 173.3685 71 D 4.4618 8.2693 122.8836 53.7100 41.0886 176.0260 72 R 4.2983 8.3892 126.2578 56.4389 30.8268 175.2037 73 Y 5.0225 7.5598 117.2835 55.9987 40.7463 173.7201 74 K 4.9866 10.3101 120.3696 55.0297 35.5485 175.1525 75 Y 5.0986 8.1319 119.6485 56.0718 41.4621 173.1613 76 K 4.6960 9.1935 118.6129 54.8286 37.1210 175.7462 77 R 5.4929 8.5047 118.7445 53.7241 32.1847 174.3894 78 E 4.3186 8.6169 125.0390 55.1340 30.2752 175.3557 79 N 3.9189 9.3913 126.0263 54.9413 36.9784 174.9601 80 G 3.9326 8.4933 103.0791 45.1790 0.0000 173.3872 81 E 4.7120 7.6936 120.9522 54.2361 32.3253 174.8502 82 I 4.4609 8.2788 126.2072 61.2213 38.3429 175.4329 83 I 4.4069 9.1892 128.8554 59.5111 38.9143 174.5105 84 C 4.9571 8.7071 125.1180 56.6358 39.4694 173.9235 85 E 4.3297 8.4688 120.0108 55.9231 31.3995 177.1525 86 N 4.8511 8.2431 112.8359 53.7566 40.8326 175.6944 *88 S 4.5648 8.2434 114.8656 57.8669 65.1023 174.2923 89 T 4.7410 7.2644 109.4988 58.6196 73.0331 174.5285 90 S 4.0893 8.4656 115.6334 61.6696 62.4655 177.0236 91 C 4.2693 8.0936 118.7755 60.0193 38.0829 176.0188 92 K 3.9474 7.9714 119.9126 59.1755 31.5774 179.4112 93 K 3.9869 7.7708 120.7135 59.1890 32.1164 179.2579 94 R 3.9082 8.3022 118.7710 59.1168 29.9173 179.2303 95 I 3.6511 8.1001 120.0902 64.5391 37.1146 177.5700 96 C 3.5093 7.5586 119.2227 59.5565 40.6914 175.5409 97 E 3.8498 8.0882 120.0244 59.1978 28.9355 178.7580 98 C 4.3294 7.9102 116.8127 60.0734 41.5353 175.7942 99 D 4.3196 8.1992 120.5630 57.0856 40.4372 178.5407 100 K 3.7146 8.3779 120.3787 59.5341 32.1624 178.5153 101 A 3.9624 7.9006 121.0873 55.2263 18.2167 180.0395 102 V 3.4904 7.8087 117.4527 64.6382 31.6473 178.4970 103 A 3.7693 7.9976 121.4946 54.9319 18.1719 179.8156 104 V 3.5001 7.7314 116.7844 66.1638 31.6828 177.4621 105 C 4.2169 8.1051 118.3361 59.6097 43.2427 175.5651 106 L 3.7979 7.7932 119.9618 57.5003 41.3594 179.2212 107 R 3.9845 7.7905 118.4249 59.3730 29.8858 178.4600 108 K 3.9788 8.0420 118.1199 58.7836 32.3548 177.4037 109 N 4.9308 7.7364 114.5091 53.0221 39.0967 176.4928 110 L 4.1087 7.8032 124.6537 57.9198 41.5120 178.8421 111 N 4.5975 8.2179 114.0232 54.6910 37.4297 175.2764 112 T 4.5539 7.6808 107.7761 61.1370 69.5109 173.4711 113 Y 3.9413 7.9428 124.0835 58.3935 39.2602 174.6110 114 N 4.9180 8.7716 125.6957 51.4022 39.9081 174.8779 115 K 4.1620 9.0787 126.3015 58.5733 32.2616 178.6915 116 K 4.2882 8.1271 115.5020 57.9220 32.8563 176.8662 117 Y 4.7357 7.6680 117.4644 58.1350 38.9551 177.5547 118 T 3.7908 7.5220 117.9705 66.1858 68.8296 174.7005 119 Y 4.5816 7.2456 116.8390 57.0163 38.6144 175.7632 120 Y 3.8190 7.3094 119.0660 56.7471 39.6495 173.6572 121 P 3.9202 0.0000 0.0000 62.2736 31.7274 176.8737 122 N 4.1384 8.5694 122.2286 56.1477 39.0893 175.9080 *124 F 4.9463 7.8749 110.4962 56.0285 39.4905 175.2617 125 W 4.4441 7.5855 120.5602 57.7481 29.2585 175.9310 126 C 4.6706 8.1442 116.8423 55.9921 38.5298 173.3205 127 K 4.3120 8.4076 122.5473 55.8204 32.6109 176.9010 128 G 3.9969 8.2472 107.7198 45.5867 0.0000 173.2095 129 D 4.7224 8.5595 119.4573 54.2375 42.5446 176.5167 130 I 4.6491 8.1884 121.4575 60.0581 36.4196 175.7617 131 E 4.1155 8.5577 125.9889 55.6658 30.1312 177.5313 132 K 4.2298 8.3037 121.3635 56.5343 32.9614 177.9603 133 C 4.4124 8.5099 116.4780 57.4426 41.2734 174.0063 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 S 8.42 5.23 0.00 4.07 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 0.00 2 V 7.65 3.60 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.00 0.00 0.00 3 V 8.48 3.57 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 1.04 0.00 0.00 0.92 0.00 0.00 4 E 7.93 3.97 0.00 1.76 1.75 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 1.47 2.16 0.00 5 L 8.14 4.10 0.00 2.07 1.93 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.27 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 7 K 8.07 4.06 0.00 2.19 2.00 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.81 7.81 8 M 8.28 4.22 0.00 1.95 2.19 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.07 0.00 9 I 7.75 3.60 2.06 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.75 0.95 0.00 0.00 10 I 7.66 4.45 2.06 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 1.68 0.69 0.94 0.00 0.00 11 Q 8.14 4.04 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.74 0.00 12 E 8.46 4.23 0.00 1.89 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 2.44 2.39 0.00 13 T 8.33 4.42 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 1.08 0.00 0.00 14 G 8.02 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 0.00 0.00 0.00 0.00 *16 K 7.78 4.76 0.00 1.98 1.74 0.00 1.91 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.49 7.81 17 S 8.35 4.78 0.00 4.06 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.53 0.00 2.38 2.48 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 19 F 8.16 4.95 0.00 3.08 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 20 P 0.00 4.05 0.00 1.90 0.80 0.00 3.21 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 21 S 7.78 4.25 0.00 3.67 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 22 Y 8.45 4.83 0.00 3.03 2.92 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 23 T 7.96 3.97 4.47 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 1.47 0.00 0.00 24 S 7.70 4.89 0.00 4.00 4.14 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 25 Y 8.38 4.37 0.00 3.18 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 26 G 7.93 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 0.00 0.00 0.00 27 C 8.58 4.32 0.00 2.79 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 0.00 0.00 0.00 28 F 8.59 4.58 0.00 3.26 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 29 C 8.38 4.63 0.00 3.42 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 30 G 7.91 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 31 G 8.19 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 0.00 0.00 0.00 0.00 32 G 7.73 4.50 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 33 E 8.34 4.71 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 34 R 7.92 4.20 0.00 1.72 1.98 0.00 3.18 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 35 G 8.36 4.60 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 36 P 0.00 5.16 0.00 2.11 2.10 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 37 P 0.00 4.81 0.00 2.22 2.09 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 38 L 9.20 3.91 0.00 0.95 0.80 -1.20 0.46 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 39 D 7.42 4.55 0.00 2.96 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 40 A 8.80 3.98 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 41 T 7.91 3.79 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 42 D 8.83 4.54 0.00 3.11 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 43 R 8.37 3.89 0.00 2.01 1.90 0.00 3.15 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 44 C 8.04 4.20 0.00 3.14 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 45 C 8.00 4.22 0.00 3.20 3.36 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 46 L 7.82 3.61 0.00 0.74 1.43 0.22 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.05 3.87 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 48 H 8.10 3.94 0.00 3.15 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.90 3.94 0.00 3.91 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 50 C 8.40 4.42 0.00 3.10 3.08 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 51 C 8.32 4.21 0.00 3.09 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 52 Y 8.10 4.13 0.00 3.14 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 53 D 7.83 4.61 0.00 2.87 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 54 T 7.79 4.40 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 55 L 7.61 4.95 0.00 1.55 1.58 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.24 0.00 2.21 2.31 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 *59 D 7.87 4.85 0.00 2.86 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 *61 C 7.52 5.24 0.00 2.94 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 *67 S 8.22 5.02 0.00 3.88 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 68 P 0.00 3.95 0.00 0.49 1.34 0.00 3.68 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 69 K 7.90 4.31 0.00 1.86 1.93 0.00 1.66 0.00 0.00 1.94 0.00 0.00 3.11 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.66 1.52 7.81 70 T 7.64 4.48 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 1.22 0.00 0.00 71 D 8.27 4.46 0.00 2.72 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 72 R 8.39 4.30 0.00 1.84 1.79 0.00 3.38 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 73 Y 7.56 5.02 0.00 3.12 2.94 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 74 K 10.31 4.99 0.00 1.77 1.73 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.39 7.81 75 Y 8.13 5.10 0.00 3.09 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 76 K 9.19 4.70 0.00 1.72 1.74 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.54 7.81 77 R 8.50 5.49 0.00 1.69 1.90 0.00 3.60 0.00 0.00 3.89 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 78 E 8.62 4.32 0.00 2.01 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 2.31 2.28 0.00 79 N 9.39 3.92 0.00 2.90 2.89 0.00 0.00 7.28 7.98 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 80 G 8.49 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 81 E 7.69 4.71 0.00 2.07 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 2.22 2.26 0.00 82 I 8.28 4.46 1.82 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 1.32 0.80 0.74 0.00 0.00 83 I 9.19 4.41 1.94 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 1.42 1.35 0.94 0.00 0.00 84 C 8.71 4.96 0.00 2.95 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.47 4.33 0.00 2.14 2.41 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 2.47 2.32 0.00 86 N 8.24 4.85 0.00 2.65 2.77 0.00 0.00 6.82 7.57 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 *88 S 8.24 4.56 0.00 4.02 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 89 T 7.26 4.74 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 1.22 0.00 0.00 90 S 8.47 4.09 0.00 3.90 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.09 4.27 0.00 3.00 3.20 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 92 K 7.97 3.95 0.00 1.98 1.93 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.73 1.50 7.81 93 K 7.77 3.99 0.00 1.98 2.01 0.00 1.50 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.33 7.81 94 R 8.30 3.91 0.00 1.81 1.93 0.00 3.16 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 95 I 8.10 3.65 1.83 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 1.24 0.60 1.01 0.00 0.00 96 C 7.56 3.51 0.00 1.67 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 97 E 8.09 3.85 0.00 2.12 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 2.46 2.44 0.00 98 C 7.91 4.33 0.00 3.33 3.22 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 0.00 0.00 0.00 0.00 99 D 8.20 4.32 0.00 2.93 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 0.00 100 K 8.38 3.71 0.00 1.71 1.92 0.00 1.58 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 101 A 7.90 3.96 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 0.00 102 V 7.81 3.49 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 0.54 0.00 0.00 0.72 0.00 0.00 103 A 8.00 3.77 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 0.00 104 V 7.73 3.50 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 1.02 0.00 0.00 0.93 0.00 0.00 105 C 8.11 4.22 0.00 3.13 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 0.00 106 L 7.79 3.80 0.00 1.48 1.27 0.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.79 3.98 0.00 1.95 2.08 0.00 3.09 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 1.61 1.69 0.00 108 K 8.04 3.98 0.00 1.74 1.97 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.53 7.81 109 N 7.74 4.93 0.00 2.80 2.81 0.00 0.00 6.91 6.23 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 0.00 110 L 7.80 4.11 0.00 1.84 1.74 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.22 4.60 0.00 2.85 2.96 0.00 0.00 5.80 7.71 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 0.00 112 T 7.68 4.55 4.30 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 1.25 0.00 0.00 113 Y 7.94 3.94 0.00 3.18 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 0.00 114 N 8.77 4.92 0.00 2.49 1.98 0.00 0.00 6.86 7.58 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 0.00 115 K 9.08 4.16 0.00 1.92 1.92 0.00 2.23 0.00 0.00 1.94 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.62 7.81 116 K 8.13 4.29 0.00 1.84 1.82 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.19 0.89 7.81 117 Y 7.67 4.74 0.00 1.78 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 0.00 0.00 0.00 0.00 118 T 7.52 3.79 3.75 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 0.46 0.00 0.00 119 Y 7.25 4.58 0.00 2.87 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.31 3.82 0.00 2.91 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 0.00 121 P 0.00 3.92 0.00 0.49 1.29 0.00 2.47 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 122 N 8.57 4.14 0.00 2.79 2.87 0.00 0.00 6.91 7.71 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 *124 F 7.87 4.95 0.00 3.22 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 0.00 125 W 7.59 4.44 0.00 2.78 2.94 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 0.00 126 C 8.14 4.67 0.00 3.03 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 0.00 127 K 8.41 4.31 0.00 1.74 1.84 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.38 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.37 7.81 128 G 8.25 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 0.00 129 D 8.56 4.72 0.00 2.65 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 0.00 130 I 8.19 4.65 1.92 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 1.41 0.55 0.98 0.00 0.00 131 E 8.56 4.12 0.00 1.96 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 2.35 2.29 0.00 132 K 8.30 4.23 0.00 1.74 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.47 7.81 133 C 8.51 4.41 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.