NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7906 8.3027 116.4603 55.2506 31.6009 172.4910 7 R 4.1836 7.7820 120.5761 55.5784 30.4585 174.0683 8 L 4.3006 8.6490 127.2982 55.2999 42.5293 176.8619 9 S 4.2626 10.4208 120.6254 57.8482 63.4233 174.9649 10 A 3.9721 8.8975 126.2703 55.6800 18.0565 180.1957 11 E 3.9276 8.0878 116.5289 59.5736 29.6573 179.2047 12 E 4.0588 8.7538 118.9905 59.4600 29.5938 179.4544 13 R 3.9146 7.9681 117.6376 59.4410 29.9491 178.4684 14 D 4.4715 8.1255 118.7302 56.9639 41.2853 177.7769 15 Q 4.5735 7.4133 117.1605 56.9711 29.4656 180.7320 16 L 4.7742 7.7090 117.5345 56.7525 43.8826 178.3604 17 L 4.0915 7.9739 118.9374 56.9811 41.0553 177.3200 18 P 4.2517 0.0000 0.0000 66.0926 31.0748 178.1960 19 N 4.5738 8.1128 112.7609 56.2386 38.7329 176.9935 20 L 4.3028 7.7864 119.9272 57.5012 42.0823 179.0973 21 R 4.4210 9.0057 120.2295 58.8588 29.8491 177.9510 22 A 4.3277 8.9659 116.6501 52.8558 18.1929 177.6818 23 V 4.2562 8.1598 116.6830 61.9265 33.1304 175.2412 24 G 3.4515 7.5573 106.3448 45.4054 0.0000 174.3450 25 W 4.3545 8.1006 121.1004 56.6268 30.7177 175.0356 26 N 5.0700 8.4707 118.9902 51.3931 42.9099 173.4754 27 E 4.7305 8.7048 121.3789 55.8463 30.3423 176.5370 28 L 4.5035 9.1784 128.0270 55.1155 43.0636 176.4206 29 E 4.1173 8.8895 126.0790 58.3423 29.5355 176.7035 30 G 3.9622 9.5470 112.7268 44.5120 0.0000 172.3289 31 R 4.2911 7.4351 115.4939 55.3004 32.6160 173.6000 32 D 4.5131 8.1912 125.5243 54.7677 39.8037 174.1818 33 A 4.9334 7.8799 124.7789 50.7308 22.8586 174.5100 34 I 5.2999 8.4601 112.9403 59.3588 40.9611 174.5901 35 F 5.7896 9.2492 117.9173 55.9519 42.1694 173.2163 36 K 4.2481 8.5757 118.7911 55.3724 35.7820 174.0469 37 Q 4.6056 8.5062 129.1792 55.6664 30.0561 174.6609 38 F 4.7073 9.2761 124.5517 55.9102 42.6311 173.9699 39 H 5.0880 8.1309 117.7814 54.2826 32.2446 172.5734 40 F 4.8853 8.8421 123.2272 56.3378 42.3135 175.6406 41 K 4.1590 9.0418 120.0945 57.8759 31.7071 172.5463 42 D 4.1092 7.4586 117.5674 50.7148 43.1036 175.5208 43 F 4.6496 7.3943 121.4118 60.9974 39.1903 176.2314 44 N 4.1949 8.2520 115.4604 56.5633 38.2813 177.3121 45 R 3.7221 8.8869 119.0634 59.1231 29.9620 178.7450 46 A 3.2311 7.4548 119.1502 55.2022 18.4137 179.2528 47 F 3.6364 8.2135 117.9522 60.2779 39.6037 177.5349 48 G 3.6428 7.7577 105.9222 47.5124 0.0000 175.9072 49 F 4.1201 7.8179 119.6491 59.1966 39.0973 176.6451 *51 T 4.0460 7.7881 114.7119 63.3388 70.5226 176.3490 52 R 3.8910 7.9265 120.1127 59.4485 30.0133 179.2353 53 V 3.5872 7.7469 117.6844 65.9122 31.3898 177.8388 54 A 3.9378 7.8982 119.9609 55.2008 18.2679 179.3994 55 L 3.8748 7.8929 117.4607 57.9960 41.6531 179.6265 56 Q 3.5821 7.7217 118.7868 58.7503 28.7283 177.8992 57 A 3.8897 7.7683 123.4045 54.2425 18.0478 179.3198 58 E 3.7849 7.6406 117.0593 59.4951 29.8786 178.9278 59 K 4.0069 7.4798 116.7126 59.1114 30.9573 178.6712 60 L 4.1446 8.0173 118.3436 54.3147 41.5988 176.8867 61 D 4.3014 7.9002 116.8629 55.1622 39.7698 172.4382 62 H 4.8464 7.4110 113.5005 53.9525 32.6330 171.7117 63 H 4.6400 8.2806 122.7944 53.0401 31.7635 171.6530 64 P 4.3458 0.0000 0.0000 62.5652 32.8568 175.9223 65 E 4.6849 9.0590 121.5322 54.6097 30.0307 174.8779 66 W 5.7941 8.9425 120.6975 54.4592 31.6389 174.5447 67 F 5.1572 9.5984 123.7198 56.5430 41.9056 173.1166 68 N 5.3585 8.2950 123.6919 51.7889 41.8778 174.0007 69 V 4.0876 8.3954 124.9186 61.5438 34.7087 176.9379 70 Y 3.9240 9.1471 133.0406 58.6233 38.1448 170.5625 71 N 4.7610 9.4435 116.6349 52.4358 38.9586 174.4540 72 K 4.8844 8.2619 120.3769 54.9572 34.5074 175.3753 73 V 4.8093 8.9778 125.1005 61.5400 34.4053 173.4809 74 H 5.2518 9.6849 129.6666 54.9584 31.5977 173.5577 75 I 5.3067 8.6751 126.5478 59.9819 40.3064 174.7265 76 T 5.4735 9.3745 122.7822 61.8560 72.2711 172.8075 77 L 5.1147 8.8538 126.3973 53.1703 44.9593 176.1181 78 S 5.0848 7.9504 116.2649 58.6569 65.5555 176.0902 79 T 4.3698 8.0802 107.5064 60.5618 68.8269 171.7501 80 H 3.5452 8.6678 122.1793 57.5929 28.7199 174.1858 81 E 3.6909 8.1700 129.2164 57.6776 27.7297 174.6465 82 C 4.4921 7.5700 117.8289 59.5270 33.5112 173.7458 83 A 4.4538 8.0060 118.3784 52.6469 24.0260 175.7119 84 G 4.2473 8.7998 108.3757 45.6940 0.0000 175.8776 85 L 4.6534 9.3095 124.3293 52.8104 44.2605 176.1783 86 S 5.1206 8.2951 117.5828 55.6360 65.1784 174.8009 87 E 3.9653 8.4450 119.9516 59.0302 29.0639 178.7711 88 R 3.7877 7.7301 118.0619 59.2060 30.0470 178.3326 89 D 4.3154 7.7679 118.2229 57.4147 40.7917 178.9939 90 I 3.5118 7.5178 119.7193 64.2156 37.2433 177.9290 91 N 4.2570 8.3004 117.6171 56.3881 38.3781 177.1265 92 L 3.9115 8.5134 121.6220 58.0656 42.1510 178.8135 93 A 3.8592 8.0209 120.7583 55.2276 18.1933 179.7029 94 S 4.1049 8.0911 113.6233 61.8268 63.0607 176.8000 95 F 4.0100 8.2320 123.0769 61.3277 39.0564 177.1374 96 I 3.9277 8.3647 119.7041 64.6092 36.8460 178.2939 97 E 4.2765 8.6256 119.4572 59.5790 29.1967 179.3896 98 Q 3.9302 8.0536 118.1771 58.6010 28.4166 178.8911 99 V 3.6195 7.3601 118.0336 65.5068 31.7921 177.5756 100 A 4.3256 8.5364 122.5238 56.0321 18.2698 180.3682 101 V 3.8019 7.9519 117.4490 65.7860 33.0908 180.2924 102 S 4.5776 7.6093 115.9230 58.2720 61.1913 174.9608 *104 T 4.1537 7.5711 120.5349 63.9372 68.5923 174.6696 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 6 H 8.30 4.79 0.00 3.23 3.64 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.78 4.18 0.00 1.83 1.83 0.00 3.31 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 8 L 8.65 4.30 0.00 1.58 1.64 0.89 0.90 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 9 S 10.42 4.26 0.00 3.76 3.72 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 10 A 8.90 3.97 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 11 E 8.09 3.93 0.00 2.02 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 2.39 2.39 0.00 12 E 8.75 4.06 0.00 2.03 1.97 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 2.31 2.34 0.00 13 R 7.97 3.91 0.00 1.84 1.98 0.00 3.13 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 14 D 8.13 4.47 0.00 2.90 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 15 Q 7.41 4.57 0.00 2.24 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.52 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 16 L 7.71 4.77 0.00 1.59 1.65 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.97 4.09 0.00 1.80 1.70 0.92 0.86 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 18 P 0.00 4.25 0.00 2.15 2.13 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 19 N 8.11 4.57 0.00 2.68 2.90 0.00 0.00 6.94 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 20 L 7.79 4.30 0.00 1.76 1.47 0.55 0.61 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 21 R 9.01 4.42 0.00 1.95 2.17 0.00 3.40 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 22 A 8.97 4.33 1.39 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 23 V 8.16 4.26 2.47 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 1.02 0.00 0.00 1.11 0.00 0.00 24 G 7.56 3.45 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 0.00 25 W 8.10 4.35 0.00 3.30 3.11 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 26 N 8.47 5.07 0.00 1.55 2.37 0.00 0.00 7.10 7.04 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 27 E 8.70 4.73 0.00 1.90 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 0.00 2.35 2.33 0.00 28 L 9.18 4.50 0.00 1.92 1.91 0.79 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.89 4.12 0.00 2.04 1.93 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 2.37 2.39 0.00 30 G 9.55 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 0.00 0.00 0.00 31 R 7.44 4.29 0.00 1.77 1.84 0.00 3.26 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 32 D 8.19 4.51 0.00 2.77 2.61 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 33 A 7.88 4.93 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 34 I 8.46 5.30 2.12 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.94 0.00 0.00 35 F 9.25 5.79 0.00 3.23 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 36 K 8.58 4.25 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.30 0.48 7.81 37 Q 8.51 4.61 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 38 F 9.28 4.71 0.00 3.13 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 39 H 8.13 5.09 0.00 2.76 3.03 0.00 5.83 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.84 4.89 0.00 2.75 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 41 K 9.04 4.16 0.00 1.77 1.72 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 42 D 7.46 4.11 0.00 2.74 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 43 F 7.39 4.65 0.00 3.00 3.05 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 44 N 8.25 4.19 0.00 2.95 2.83 0.00 0.00 7.10 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 45 R 8.89 3.72 0.00 1.83 1.83 0.00 3.30 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 46 A 7.45 3.23 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 47 F 8.21 3.64 0.00 1.94 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 3.64 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 0.00 0.00 0.00 49 F 7.82 4.12 0.00 2.33 2.62 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 *51 T 7.79 4.05 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 1.18 0.00 0.00 52 R 7.93 3.89 0.00 1.94 2.07 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 53 V 7.75 3.59 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 0.87 0.00 0.00 0.29 0.00 0.00 54 A 7.90 3.94 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 55 L 7.89 3.87 0.00 1.83 1.67 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.72 3.58 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 57 A 7.77 3.89 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 58 E 7.64 3.78 0.00 1.96 2.14 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 2.28 2.33 0.00 59 K 7.48 4.01 0.00 1.72 1.76 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.57 7.81 60 L 8.02 4.14 0.00 1.54 1.59 0.77 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.90 4.30 0.00 2.73 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 H 7.41 4.85 0.00 3.03 2.94 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.28 4.64 0.00 2.96 2.95 0.00 5.94 0.00 0.00 0.00 0.00 6.74 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 4.35 0.00 1.56 1.65 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.47 0.00 65 E 9.06 4.68 0.00 2.24 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 2.30 2.26 0.00 66 W 8.94 5.79 0.00 3.33 3.25 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 67 F 9.60 5.16 0.00 3.11 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 68 N 8.30 5.36 0.00 2.55 2.51 0.00 0.00 6.82 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 69 V 8.40 4.09 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 0.59 0.00 0.00 70 Y 9.15 3.92 0.00 3.19 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 71 N 9.44 4.76 0.00 2.93 2.63 0.00 0.00 5.82 7.54 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 72 K 8.26 4.88 0.00 1.83 1.94 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.81 1.34 7.81 73 V 8.98 4.81 2.48 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 1.34 0.00 0.00 1.13 0.00 0.00 74 H 9.68 5.25 0.00 3.46 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.68 5.31 2.30 0.00 0.00 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 1.80 1.23 1.27 0.00 0.00 76 T 9.37 5.47 4.52 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 1.38 0.00 0.00 77 L 8.85 5.11 0.00 1.57 1.79 0.75 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.95 5.08 0.00 3.85 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 79 T 8.08 4.37 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 1.25 0.00 0.00 80 H 8.67 3.55 0.00 3.29 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.17 3.69 0.00 1.95 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 2.24 2.28 0.00 82 C 7.57 4.49 0.00 3.07 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 83 A 8.01 4.45 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 84 G 8.80 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 0.00 0.00 0.00 0.00 85 L 9.31 4.65 0.00 1.69 1.56 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.30 5.12 0.00 3.82 3.72 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 87 E 8.44 3.97 0.00 2.02 1.93 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 2.33 2.36 0.00 88 R 7.73 3.79 0.00 1.48 1.49 0.00 2.99 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 89 D 7.77 4.32 0.00 2.77 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 90 I 7.52 3.51 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.82 0.00 0.00 91 N 8.30 4.26 0.00 2.80 2.82 0.00 0.00 6.68 6.89 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 92 L 8.51 3.91 0.00 1.72 1.66 0.77 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.02 3.86 0.61 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 94 S 8.09 4.10 0.00 4.05 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 95 F 8.23 4.01 0.00 3.14 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 96 I 8.36 3.93 2.44 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 1.25 0.00 0.00 97 E 8.63 4.28 0.00 2.32 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 0.00 3.00 2.81 0.00 98 Q 8.05 3.93 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 99 V 7.36 3.62 2.29 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 0.93 0.00 0.00 0.58 0.00 0.00 100 A 8.54 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 0.00 101 V 7.95 3.80 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 0.82 0.00 0.00 0.93 0.00 0.00 102 S 7.61 4.58 0.00 3.90 3.87 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 *104 T 7.57 4.15 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.