NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.1507 8.2548 109.1120 45.1114 0.0000 174.5899 17 I 3.8552 7.2974 121.5140 63.2080 37.5299 175.4468 18 T 4.0278 7.7981 116.7002 63.3352 70.0424 174.2832 19 G 3.5195 7.6529 112.7042 44.7875 0.0000 171.3680 20 T 4.7089 7.5489 116.9784 61.4682 70.8796 174.2564 21 W 5.0248 8.1706 124.5004 54.9950 33.8224 173.7912 22 Y 5.3926 9.0628 120.2582 56.4783 41.2389 175.2015 23 N 5.2252 9.2732 121.4538 50.4114 40.5065 175.3925 24 Q 4.4481 8.5814 115.4034 56.8357 29.1259 176.5594 25 L 4.5433 7.9382 118.6445 54.8178 40.4168 176.3889 26 G 4.0296 8.5170 106.9223 45.9887 0.0000 173.4763 27 S 4.8163 8.4879 116.0772 58.2506 65.0074 173.4531 28 T 5.0138 8.5431 117.8943 61.9492 72.8945 173.1028 29 F 5.2785 8.9403 119.4067 55.2286 42.0017 173.2702 30 I 4.7933 8.6368 122.1174 59.6034 39.3389 175.0084 31 V 4.8758 8.8434 126.7721 60.1002 34.9279 174.5545 32 T 4.7663 9.1419 119.6398 61.7906 71.0667 173.2504 33 A 4.6474 8.4539 129.6508 50.4299 19.0705 177.3411 34 G 3.8276 9.1065 111.0768 45.5884 0.0000 173.6552 35 A 4.0794 8.6008 123.3557 54.6781 18.5211 178.2097 36 D 4.6361 8.1372 113.7681 53.3690 39.7497 177.4331 37 G 3.3376 8.3406 107.4819 45.4887 0.0000 173.6415 38 A 4.8056 7.8397 121.9657 51.4881 20.3604 176.8274 39 L 5.2337 8.9837 120.3752 53.1546 45.0229 175.9852 40 T 4.9252 9.2384 113.8607 59.8160 72.6488 174.5184 41 G 3.8570 7.2709 108.2633 46.4913 0.0000 171.1725 42 T 5.1150 7.8931 115.5516 61.8710 72.4587 172.5531 43 Y 5.1400 9.3484 126.9821 55.8534 41.6487 173.9844 44 E 5.2431 8.5455 125.7191 54.8020 31.9965 177.0522 45 S 4.4909 9.5219 122.2355 60.7364 63.4396 174.9427 *49 N 4.3447 7.9983 114.2913 52.5816 37.9326 174.0679 50 A 4.2264 8.2359 121.5078 52.9905 19.0711 177.9576 51 E 4.1564 7.6875 112.6757 57.0010 30.4668 176.9672 52 S 4.8942 8.1567 115.6913 58.5002 64.5056 173.1248 53 R 5.1251 7.6429 118.8170 54.9982 31.6236 175.3580 54 Y 4.8631 9.5815 121.0767 55.8665 42.7355 174.8840 55 V 4.2991 8.6254 122.3055 62.8813 32.7548 175.0161 56 L 5.0130 8.9150 127.9934 54.3076 43.1600 175.2352 57 T 5.0019 8.4070 115.3253 61.0110 71.6021 173.0372 58 G 4.2123 8.3014 111.6851 46.5493 0.0000 172.0441 59 R 5.6016 8.4208 117.2495 54.9832 34.7274 174.2935 60 Y 5.2765 8.6264 118.8045 55.4507 41.7574 174.6252 61 D 4.2932 9.1948 121.0559 54.1155 40.4544 176.6739 62 S 4.2178 8.1072 120.2098 58.8389 63.7776 174.9608 63 A 4.6549 8.1484 123.7616 50.6696 19.0825 173.6680 64 P 4.9001 0.0000 0.0000 60.2744 33.1613 177.0115 65 A 4.2470 8.3546 121.7130 52.5892 18.8723 177.6470 66 T 4.7005 8.2798 109.8970 61.7958 69.2047 174.5128 67 D 4.7919 8.3763 117.7490 54.3417 39.9061 176.7537 68 G 4.0555 8.3502 107.0568 45.6190 0.0000 174.6030 69 S 4.2977 7.8497 115.7622 58.1068 63.3893 174.4624 70 G 4.0257 8.4033 110.8401 46.4252 0.0000 172.2123 71 T 4.8765 8.7209 116.1995 61.4215 70.6289 174.6595 72 A 4.7733 8.7111 129.1878 52.1030 19.8843 176.0162 73 L 5.1637 8.9182 121.3271 55.2551 44.8616 174.4908 74 G 4.6336 9.0779 104.9725 45.4571 0.0000 172.1982 75 W 5.8519 8.6569 118.1162 55.3861 32.6809 173.4333 76 T 5.2026 9.4269 116.8574 61.7739 71.7658 173.3579 77 V 4.6825 8.9348 125.3525 60.9160 34.2799 173.9438 78 A 4.4856 8.3962 129.9000 50.1533 19.7256 177.8396 79 F 3.8998 8.5525 125.8102 56.9467 38.4498 175.7510 80 K 5.2283 7.8591 120.5749 54.6526 34.9845 174.3449 81 N 5.0492 9.0403 122.4603 51.7726 40.1088 174.3372 82 N 4.5450 8.5794 114.5033 54.5583 38.5863 175.1593 83 Y 4.6980 7.6160 115.5201 58.3662 40.5289 175.6368 84 R 4.6080 8.8529 114.5123 55.4896 32.4301 173.7319 85 N 5.1102 8.4628 117.0203 52.7919 40.7449 173.7558 86 A 4.2906 9.0761 128.8163 51.8309 19.8764 176.1938 87 H 4.1914 8.6396 113.9904 55.8847 27.0364 174.1282 88 S 5.2194 7.3875 110.6711 57.3495 66.6708 174.4172 89 A 5.1736 9.1138 122.9865 50.5491 22.5587 175.0628 90 T 4.9952 8.8781 117.2619 61.7077 72.3593 173.1921 91 T 4.9726 8.4851 115.3642 59.6128 71.9394 172.6971 92 W 4.9959 8.7994 124.7297 54.7778 31.9424 174.5833 93 S 4.8088 8.7106 119.1438 56.4806 64.8761 173.1248 94 G 4.3860 8.4940 114.9049 46.1142 0.0000 171.4229 95 Q 5.1321 8.2645 118.2108 55.0513 32.5516 173.6393 96 Y 4.8224 9.1166 123.4156 57.2427 40.5522 174.2250 97 V 4.0730 8.9702 126.9192 61.1432 34.3509 175.5319 98 G 3.4391 7.9572 119.5133 44.1632 0.0000 169.3775 99 G 3.6622 8.7628 104.7461 43.9971 0.0000 173.3696 100 A 4.1128 8.6537 120.9289 54.5997 18.6651 178.4290 101 E 4.4705 7.7493 115.8538 54.8155 28.3817 175.0841 102 A 4.5059 7.8151 123.8138 51.9950 19.9380 177.3427 103 R 5.2946 8.9539 116.8471 55.2177 33.6559 174.0917 104 I 4.7596 8.7697 121.7266 59.9595 39.5672 174.2273 105 N 5.3783 9.2960 126.3826 52.0948 40.2970 174.7296 106 T 5.3276 9.4556 113.3798 60.2026 73.2414 172.5334 107 Q 5.1895 9.0110 120.9846 53.8949 32.1582 174.8904 108 W 5.3451 8.1600 118.9714 54.6050 32.4746 173.8286 109 L 5.1213 8.9270 120.3436 52.9281 44.6769 175.3124 110 L 4.9200 9.2560 127.1089 53.8840 43.8466 174.9692 111 T 5.1228 9.0336 123.8804 61.9422 71.1506 173.7123 112 S 5.1169 8.4974 122.1239 56.3465 65.5930 174.3759 113 G 3.8013 8.6949 111.0155 46.7540 0.0000 173.1474 114 T 4.7305 8.3788 115.5409 59.3033 71.9237 173.7077 115 T 4.2272 7.9877 112.4688 60.7708 70.2738 175.2319 116 E 3.9280 8.8058 119.7483 59.6074 29.4289 179.5516 117 A 4.2096 7.4974 120.1331 54.1669 18.7358 177.6418 118 N 5.0542 8.0371 111.5053 52.8426 39.5160 176.2455 119 A 4.2128 8.0858 122.3748 53.6750 18.6274 179.6382 120 W 4.3798 8.3666 112.9122 58.5933 28.4042 176.9680 121 K 3.8658 6.5721 117.2345 56.1451 32.3154 177.3250 122 S 4.2938 7.7440 116.2095 60.9196 64.6490 173.3008 123 T 5.0540 7.5933 116.3587 61.6933 71.0857 173.6543 124 L 4.5835 8.7746 127.2264 53.8945 43.6235 176.3658 125 V 4.2835 7.8428 120.5101 60.2589 34.2809 175.3364 126 G 3.2048 6.2522 108.5701 45.9943 0.0000 171.1282 127 H 5.3749 8.1540 114.3531 54.8161 31.7981 172.8265 128 D 4.9725 9.6616 118.7972 53.3204 45.2946 174.3795 129 T 5.1960 9.1145 119.3365 61.8833 71.4635 173.1813 130 F 5.5098 9.5227 125.2593 56.0568 42.2225 174.7459 131 T 5.4285 9.1616 111.7415 60.0966 72.2817 174.6384 132 K 3.8613 8.7958 119.8373 56.7751 32.6758 177.7038 133 V 3.9073 7.5478 123.4846 61.6266 31.4643 175.3224 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 16 G 8.25 4.15 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 0.00 17 I 7.30 3.86 1.42 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.13 0.63 0.00 0.00 18 T 7.80 4.03 4.17 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 1.22 0.00 0.00 19 G 7.65 3.52 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 0.00 0.00 0.00 20 T 7.55 4.71 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 0.62 0.00 0.00 21 W 8.17 5.02 0.00 1.78 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 22 Y 9.06 5.39 0.00 3.02 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 23 N 9.27 5.23 0.00 2.42 2.52 0.00 0.00 6.63 6.74 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 24 Q 8.58 4.45 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.47 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 25 L 7.94 4.54 0.00 1.74 1.73 0.96 0.70 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 26 G 8.52 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.49 4.82 0.00 4.06 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 28 T 8.54 5.01 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 1.02 0.00 0.00 29 F 8.94 5.28 0.00 3.03 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 30 I 8.64 4.79 1.82 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 1.18 0.55 0.81 0.00 0.00 31 V 8.84 4.88 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 0.94 0.00 0.00 0.84 0.00 0.00 32 T 9.14 4.77 4.21 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 1.19 0.00 0.00 33 A 8.45 4.65 0.72 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 34 G 9.11 3.83 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 0.00 0.00 0.00 35 A 8.60 4.08 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 36 D 8.14 4.64 0.00 2.78 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 37 G 8.34 3.34 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 0.00 0.00 0.00 0.00 38 A 7.84 4.81 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 39 L 8.98 5.23 0.00 1.71 1.52 0.72 0.89 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 40 T 9.24 4.93 4.22 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 1.21 0.00 0.00 41 G 7.27 3.86 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 0.00 0.00 0.00 42 T 7.89 5.12 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 1.30 0.00 0.00 43 Y 9.35 5.14 0.00 2.90 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 44 E 8.55 5.24 0.00 1.88 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 2.20 2.26 0.00 45 S 9.52 4.49 0.00 3.98 4.04 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 *49 N 8.00 4.34 0.00 3.03 2.80 0.00 0.00 5.96 7.26 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 50 A 8.24 4.23 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 51 E 7.69 4.16 0.00 1.97 1.53 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 2.28 2.25 0.00 52 S 8.16 4.89 0.00 4.09 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 53 R 7.64 5.13 0.00 1.59 1.81 0.00 3.12 0.00 0.00 3.43 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 54 Y 9.58 4.86 0.00 2.88 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 55 V 8.63 4.30 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.92 5.01 0.00 1.51 1.58 0.36 0.04 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 57 T 8.41 5.00 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 1.23 0.00 0.00 58 G 8.30 4.21 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 0.00 0.00 0.00 59 R 8.42 5.60 0.00 1.77 1.78 0.00 3.31 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 Y 8.63 5.28 0.00 3.09 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 61 D 9.19 4.29 0.00 2.78 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 62 S 8.11 4.22 0.00 3.87 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 63 A 8.15 4.65 1.21 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 0.00 0.00 64 P 0.00 4.90 0.00 2.28 2.18 0.00 3.44 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 65 A 8.35 4.25 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 66 T 8.28 4.70 4.28 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 1.24 0.00 0.00 67 D 8.38 4.79 0.00 2.79 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 68 G 8.35 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 69 S 7.85 4.30 0.00 3.95 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 70 G 8.40 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.72 4.88 4.54 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 1.46 0.00 0.00 72 A 8.71 4.77 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 73 L 8.92 5.16 0.00 2.09 1.95 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.08 4.63 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 0.00 75 W 8.66 5.85 0.00 3.36 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 76 T 9.43 5.20 4.28 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 1.25 0.00 0.00 77 V 8.93 4.68 1.62 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 0.23 0.00 0.00 0.66 0.00 0.00 78 A 8.40 4.49 1.19 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 79 F 8.55 3.90 0.00 3.12 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 80 K 7.86 5.23 0.00 1.87 1.72 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.43 7.81 81 N 9.04 5.05 0.00 2.87 2.83 0.00 0.00 6.68 7.68 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 82 N 8.58 4.55 0.00 2.10 2.47 0.00 0.00 6.58 7.46 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 83 Y 7.62 4.70 0.00 3.05 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 84 R 8.85 4.61 0.00 1.96 2.10 0.00 3.05 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 85 N 8.46 5.11 0.00 2.66 2.62 0.00 0.00 6.93 7.96 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 86 A 9.08 4.29 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 87 H 8.64 4.19 0.00 3.31 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.39 5.22 0.00 3.96 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 89 A 9.11 5.17 1.17 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 0.00 0.00 90 T 8.88 5.00 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 -0.44 0.00 0.00 91 T 8.49 4.97 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 1.16 0.00 0.00 92 W 8.80 5.00 0.00 1.78 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 0.00 0.00 0.00 93 S 8.71 4.81 0.00 3.80 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 94 G 8.49 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 0.00 0.00 0.00 0.00 95 Q 8.26 5.13 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.12 4.82 0.00 3.04 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 97 V 8.97 4.07 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 0.93 0.00 0.00 0.92 0.00 0.00 98 G 7.96 3.44 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 0.00 99 G 8.76 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 0.00 100 A 8.65 4.11 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 0.00 101 E 7.75 4.47 0.00 1.97 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 2.26 2.30 0.00 102 A 7.82 4.51 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 0.00 103 R 8.95 5.29 0.00 1.98 2.13 0.00 2.75 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 104 I 8.77 4.76 1.84 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 1.13 0.00 0.00 105 N 9.30 5.38 0.00 2.70 2.82 0.00 0.00 6.10 6.92 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 0.00 106 T 9.46 5.33 4.54 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 1.45 0.00 0.00 107 Q 9.01 5.19 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 108 W 8.16 5.35 0.00 2.65 2.25 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 0.00 109 L 8.93 5.12 0.00 1.45 1.51 0.85 0.43 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 0.00 110 L 9.26 4.92 0.00 1.78 1.72 0.97 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.03 5.12 4.21 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 1.18 0.00 0.00 112 S 8.50 5.12 0.00 3.70 3.73 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 0.00 113 G 8.69 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 0.00 114 T 8.38 4.73 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 0.00 115 T 7.99 4.23 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 1.21 0.00 0.00 116 E 8.81 3.93 0.00 2.04 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 0.00 2.41 2.27 0.00 117 A 7.50 4.21 1.34 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 0.00 0.00 0.00 118 N 8.04 5.05 0.00 2.66 2.68 0.00 0.00 6.71 9.07 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 0.00 119 A 8.09 4.21 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 0.00 120 W 8.37 4.38 0.00 3.57 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 0.00 121 K 6.57 3.87 0.00 1.14 0.74 0.00 1.21 0.00 0.00 1.17 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.30 0.78 7.81 122 S 7.74 4.29 0.00 3.85 4.15 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 0.00 123 T 7.59 5.05 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 1.21 0.00 0.00 124 L 8.77 4.58 0.00 1.80 1.67 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.84 4.28 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 0.53 0.00 0.00 0.67 0.00 0.00 126 G 6.25 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 0.00 0.00 0.00 127 H 8.15 5.37 0.00 3.25 3.19 0.00 5.70 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 0.00 128 D 9.66 4.97 0.00 3.14 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 0.00 129 T 9.11 5.20 4.49 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 1.39 0.00 0.00 130 F 9.52 5.51 0.00 3.04 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 0.00 131 T 9.16 5.43 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 1.38 0.00 0.00 132 K 8.80 3.86 0.00 1.53 1.40 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.63 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.87 1.11 7.81 133 V 7.55 3.91 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 0.69 0.00 0.00 0.81 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.