NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3262 8.1593 115.2465 62.1609 68.5715 173.3583 4 T 3.9431 8.3394 112.9284 63.3156 69.2637 174.2815 5 A 4.2602 8.0158 123.2090 52.8146 20.0284 179.4946 6 E 3.9802 8.0936 115.8921 58.2044 30.1437 177.2496 7 Q 4.5798 7.8798 116.2710 57.1797 30.0084 177.6295 8 I 3.2898 7.5251 119.8874 63.8185 37.0549 176.0875 9 P 4.0796 0.0000 0.0000 65.7561 31.0890 178.5035 10 F 4.3120 7.7623 115.6767 60.8264 38.8634 177.6512 11 Q 3.9845 7.9510 117.4744 58.6684 28.4144 178.6374 12 L 4.0356 7.9386 120.4421 57.9734 41.6501 179.6771 13 I 3.5912 7.7718 119.5171 64.1626 37.0372 178.1750 14 L 3.9062 7.8712 121.0315 58.4452 42.0069 178.7833 15 N 4.4263 8.2266 116.3206 56.3265 38.3288 177.7720 16 S 4.1935 8.3383 116.6536 61.5226 62.9687 176.6440 17 G 3.7549 8.3066 108.7598 48.2060 0.0000 175.3248 18 N 3.9479 8.1121 118.9772 55.6549 38.4756 177.4621 19 A 4.1234 7.9375 122.2655 54.9850 18.2351 179.6448 20 R 3.8544 8.1452 116.8636 59.7771 30.2599 178.6212 21 S 4.2095 7.8631 113.8160 61.4989 62.9596 176.3989 22 F 4.7821 8.0666 120.3423 60.5351 38.6671 178.2460 23 A 4.3217 7.9869 116.7336 53.0102 17.9864 178.9311 *25 E 3.9538 8.1306 120.9050 57.8017 31.7523 178.2366 26 A 4.2811 8.3531 120.5605 55.2352 18.3933 179.3737 27 L 3.9554 8.0264 118.7574 58.4833 42.1325 179.2873 28 Q 3.8425 7.8478 117.4537 58.6922 28.5777 178.3958 29 F 4.2970 7.9713 118.5766 60.7068 39.0386 177.3581 30 A 3.9725 8.1681 120.2147 55.2217 17.9136 179.4017 31 K 2.4800 7.3421 116.6813 59.1971 32.2497 178.1363 32 Q 4.3289 7.6493 114.9590 55.6407 28.8821 176.5524 33 G 3.8952 7.7813 108.2861 45.7419 0.0000 173.3823 34 K 4.3102 8.1379 118.9837 54.5108 33.9675 177.3164 *36 A 4.2113 8.4707 125.2071 52.3511 20.6030 178.8453 37 E 3.6318 7.8206 114.6042 59.1016 29.0954 179.2831 38 A 4.1667 7.7662 120.0171 55.4393 18.6009 179.0331 39 D 4.4549 8.0116 115.5756 57.5449 41.2389 178.2780 40 E 4.0620 8.2125 119.6343 58.8752 29.5114 179.3470 41 A 4.2605 8.0182 118.9751 52.4009 18.2704 179.4108 *43 V 3.9213 7.7545 121.8495 64.5214 33.5251 177.8099 44 K 3.7627 7.7623 118.3326 59.1864 31.6705 179.0487 45 A 4.3259 8.1975 121.2666 55.2726 18.3459 179.5964 46 K 3.9082 8.0419 117.4450 59.7872 31.9998 178.6912 47 E 3.9867 8.5121 118.8685 59.2547 29.2090 179.3025 48 A 4.1469 8.6028 121.2482 55.3544 18.5075 179.5688 49 I 3.7123 8.4348 118.7245 64.6573 37.1439 178.0377 50 N 4.2671 8.3195 117.6984 56.6844 38.5300 176.6414 51 E 3.8068 7.6407 117.2245 59.3884 29.8043 178.9877 52 A 4.4608 7.8545 120.5081 55.6590 18.5524 179.0536 53 H 4.0596 8.9938 117.1949 59.7055 29.6848 176.8053 54 H 4.1007 8.3572 120.0459 59.3195 29.6440 177.2553 55 F 4.3214 7.6850 119.3716 60.4848 38.6638 177.5410 56 Q 3.9379 7.9525 118.7655 59.4918 29.0189 177.8756 57 T 3.8108 7.8106 116.7935 66.7426 68.3956 176.0760 58 E 3.9068 7.9010 120.9843 59.0590 29.5381 178.6265 59 L 3.9377 7.8106 120.3052 58.2713 42.2362 179.0773 60 I 3.6997 8.3331 120.0451 64.4515 37.0782 178.2965 61 Q 3.9745 8.5276 120.8664 59.0582 28.8798 178.0954 62 S 4.1376 8.3460 116.6367 61.8540 62.9536 176.6154 63 E 4.1535 8.2255 121.7720 58.9284 29.0138 179.1581 64 A 4.1250 7.8367 119.4010 55.4818 18.4346 179.6319 65 R 4.0755 7.8755 115.2561 57.6144 30.2197 177.8726 66 G 3.9530 8.2780 106.5531 44.9200 0.0000 173.2382 67 E 4.1389 8.3079 120.8072 55.3646 29.4361 175.8602 68 K 4.3713 8.5135 125.9179 55.8201 33.1809 175.8576 69 T 4.5985 8.0821 122.1803 61.2139 70.8898 173.7315 70 E 3.9752 8.6092 126.2654 56.2196 30.0976 176.1276 71 I 4.1246 8.2847 127.8480 60.5917 38.1849 175.7875 72 S 4.8100 8.1756 119.4852 55.7230 67.2311 175.0403 73 V 3.5467 8.1907 121.4473 66.2048 31.1719 177.8987 74 L 3.8672 7.7432 119.4204 57.9316 41.9762 178.5101 75 L 3.8434 8.2338 120.6553 58.2006 42.1718 178.8190 76 I 3.6795 7.7301 119.7216 64.8890 37.0541 177.9369 77 H 4.2408 8.6104 119.0859 59.0236 29.7068 177.1975 78 A 3.9510 8.4554 123.1772 55.1977 17.9922 179.5392 79 Q 3.9525 7.8675 115.4260 59.2843 28.8660 178.4712 80 D 4.5019 7.7498 118.3752 57.7219 41.0533 178.3917 81 H 4.2648 8.1372 116.5654 58.6614 28.6129 177.8242 82 L 4.5718 7.5325 118.9132 55.9938 41.4566 177.8990 *84 N 4.5953 8.1116 116.5572 53.0380 40.7179 176.5083 85 A 4.0514 8.2948 120.0897 55.2832 18.3488 179.7998 86 I 3.7244 8.1491 118.6150 64.7227 37.1441 178.8810 87 T 3.9066 7.7505 116.2158 66.5267 68.4026 176.8548 88 V 3.6254 8.1957 120.6061 65.8319 31.5865 177.8743 89 K 3.9508 8.2545 119.4894 59.5607 32.2017 178.3095 90 E 3.9426 8.2344 119.4693 59.4467 29.6751 178.7977 91 L 4.2033 8.2636 118.6660 57.3748 41.6196 179.2477 92 A 4.3062 8.7486 121.3700 55.1268 18.4439 179.3629 93 A 4.0024 8.1700 119.3393 55.4887 18.4481 179.6348 94 E 4.0338 7.8563 115.7690 59.1326 29.4903 179.4075 95 F 4.1678 8.1851 118.0773 60.4072 38.9665 177.7205 96 I 3.9353 8.3510 119.7764 64.7265 37.0141 178.1068 97 D 4.4525 8.0491 119.2293 57.4527 40.6165 178.8146 98 L 3.9861 7.7767 120.2586 58.3325 42.1227 178.6754 99 Y 4.1650 8.3943 116.9878 60.7234 37.8490 178.4498 100 K 4.0362 8.6158 120.1264 59.3168 32.3053 179.1738 101 K 3.9112 8.5660 120.2968 59.6086 31.8803 178.5881 102 L 4.0323 7.7609 119.3387 57.6645 42.0859 178.3256 103 E 4.1122 8.2544 119.3083 59.1109 29.4715 178.3881 104 A 3.9952 7.6301 119.0579 55.0451 18.4923 178.8916 105 K 3.9303 7.6130 116.7903 59.7213 32.2745 176.8023 106 G 4.0525 7.6111 111.2528 45.8168 0.0000 173.2086 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 T 8.16 4.33 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 1.29 0.00 0.00 4 T 8.34 3.94 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 5 A 8.02 4.26 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 6 E 8.09 3.98 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 7 Q 7.88 4.58 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.65 0.00 0.00 0.00 0.00 0.00 2.58 2.35 0.00 8 I 7.53 3.29 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 1.41 0.60 0.75 0.00 0.00 9 P 0.00 4.08 0.00 1.70 1.88 0.00 3.44 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 10 F 7.76 4.31 0.00 3.21 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 11 Q 7.95 3.98 0.00 1.63 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 12 L 7.94 4.04 0.00 1.83 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.77 3.59 1.98 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 1.27 0.77 0.71 0.00 0.00 14 L 7.87 3.91 0.00 1.93 1.83 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.23 4.43 0.00 3.03 3.13 0.00 0.00 7.15 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 16 S 8.34 4.19 0.00 3.93 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 17 G 8.31 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 0.00 0.00 0.00 0.00 18 N 8.11 3.95 0.00 2.61 2.39 0.00 0.00 6.98 6.69 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 19 A 7.94 4.12 1.57 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 0.00 0.00 0.00 20 R 8.15 3.85 0.00 1.89 2.14 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 21 S 7.86 4.21 0.00 3.71 3.77 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 22 F 8.07 4.78 0.00 3.27 3.19 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 23 A 7.99 4.32 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *25 E 8.13 3.95 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.57 0.00 26 A 8.35 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.03 3.96 0.00 1.90 1.62 0.67 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.85 3.84 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 29 F 7.97 4.30 0.00 3.28 3.16 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 30 A 8.17 3.97 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 31 K 7.34 2.48 0.00 1.25 1.78 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.25 7.81 32 Q 7.65 4.33 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.94 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 33 G 7.78 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 34 K 8.14 4.31 0.00 1.90 1.72 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 *36 A 8.47 4.21 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 37 E 7.82 3.63 0.00 1.16 1.12 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 1.94 2.09 0.00 38 A 7.77 4.17 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 39 D 8.01 4.45 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.21 4.06 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 2.21 2.24 0.00 41 A 8.02 4.26 1.63 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 0.00 0.00 *43 V 7.75 3.92 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 1.03 0.00 0.00 0.96 0.00 0.00 44 K 7.76 3.76 0.00 1.32 0.74 0.00 1.25 0.00 0.00 1.18 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.28 7.81 45 A 8.20 4.33 1.51 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 0.00 0.00 0.00 46 K 8.04 3.91 0.00 1.86 2.02 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.54 7.81 47 E 8.51 3.99 0.00 2.18 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 2.32 2.51 0.00 48 A 8.60 4.15 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 0.00 0.00 0.00 0.00 0.00 49 I 8.43 3.71 2.12 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 1.59 1.12 0.94 0.00 0.00 50 N 8.32 4.27 0.00 2.87 3.00 0.00 0.00 7.21 6.95 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 51 E 7.64 3.81 0.00 2.28 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 0.00 2.57 2.63 0.00 52 A 7.85 4.46 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 53 H 8.99 4.06 0.00 3.37 3.45 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.36 4.10 0.00 3.26 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.69 4.32 0.00 3.24 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 56 Q 7.95 3.94 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 57 T 7.81 3.81 4.19 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 1.20 0.00 0.00 58 E 7.90 3.91 0.00 1.94 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 0.00 2.32 2.38 0.00 59 L 7.81 3.94 0.00 2.00 1.84 0.92 1.09 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 60 I 8.33 3.70 1.86 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 1.61 1.02 0.91 0.00 0.00 61 Q 8.53 3.97 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 62 S 8.35 4.14 0.00 4.10 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 63 E 8.23 4.15 0.00 2.08 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 2.19 0.00 64 A 7.84 4.13 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 65 R 7.88 4.08 0.00 2.04 2.01 0.00 3.13 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 66 G 8.28 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 0.00 0.00 0.00 67 E 8.31 4.14 0.00 2.12 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 2.33 2.24 0.00 68 K 8.51 4.37 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 69 T 8.08 4.60 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 1.20 0.00 0.00 70 E 8.61 3.98 0.00 1.89 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 2.28 2.38 0.00 71 I 8.28 4.12 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.93 0.89 0.00 0.00 72 S 8.18 4.81 0.00 3.94 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 73 V 8.19 3.55 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 1.04 0.00 0.00 0.91 0.00 0.00 74 L 7.74 3.87 0.00 1.63 1.44 0.75 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.23 3.84 0.00 1.68 1.74 0.88 1.05 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 76 I 7.73 3.68 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.91 0.00 0.00 77 H 8.61 4.24 0.00 3.29 3.45 0.00 5.78 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 78 A 8.46 3.95 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 79 Q 7.87 3.95 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 80 D 7.75 4.50 0.00 2.82 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 81 H 8.14 4.26 0.00 3.31 3.31 0.00 5.62 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 82 L 7.53 4.57 0.00 1.84 1.81 1.00 0.60 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 *84 N 8.11 4.60 0.00 2.93 2.88 0.00 0.00 6.92 7.93 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 85 A 8.29 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.15 3.72 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.78 0.94 0.00 0.00 87 T 7.75 3.91 4.40 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 1.24 0.00 0.00 88 V 8.20 3.63 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 1.01 0.00 0.00 1.00 0.00 0.00 89 K 8.25 3.95 0.00 2.00 2.00 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 90 E 8.23 3.94 0.00 2.25 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 2.32 2.37 0.00 91 L 8.26 4.20 0.00 1.87 1.82 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.75 4.31 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 93 A 8.17 4.00 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 94 E 7.86 4.03 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 95 F 8.19 4.17 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.35 3.94 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.91 1.00 0.00 0.00 97 D 8.05 4.45 0.00 2.81 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 98 L 7.78 3.99 0.00 1.89 1.69 0.82 0.72 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 99 Y 8.39 4.17 0.00 3.27 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 0.00 100 K 8.62 4.04 0.00 1.98 1.89 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.65 7.81 101 K 8.57 3.91 0.00 1.76 2.01 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 102 L 7.76 4.03 0.00 1.87 1.89 0.90 1.01 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 0.00 103 E 8.25 4.11 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 104 A 7.63 4.00 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 0.00 105 K 7.61 3.93 0.00 1.88 2.07 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.48 7.81 106 G 7.61 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 * Residues marked with a * may have inaccurate shift predictions.