NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.4493 8.3149 121.7883 54.0950 33.6881 177.1770 14 I 4.7545 7.6819 131.0217 61.8592 36.0572 173.1308 15 L 4.6893 7.5887 119.8995 54.6004 42.6591 175.6511 16 E 4.7018 8.0552 119.6829 54.6287 31.8803 174.6516 17 L 5.1506 8.6242 126.3014 53.1280 44.6417 175.8071 18 V 4.3484 8.8037 123.0823 60.5872 33.0575 173.6944 19 P 4.3407 0.0000 0.0000 62.7419 31.7251 176.1460 20 L 4.5241 7.8705 121.3818 54.7262 43.5897 175.9812 21 S 4.4480 6.9664 110.3976 57.2565 64.9880 173.6848 22 P 4.3489 0.0000 0.0000 65.3843 31.1988 177.2420 23 T 5.0042 7.8627 106.1338 60.8569 71.1185 173.4813 24 S 5.7614 7.3606 116.1066 56.0302 66.8873 172.8817 25 F 5.2950 8.6606 119.2993 56.4614 43.5375 173.6416 26 V 5.1494 8.8391 116.5741 59.4952 34.7167 175.3628 27 T 4.5081 8.3926 114.1412 62.1703 68.9523 174.5288 28 K 4.0798 8.7163 127.0596 59.3244 32.6148 176.6234 29 Y 4.5032 7.8721 114.7634 55.5202 40.1973 175.3395 30 L 4.2559 8.5077 121.9068 54.3902 43.0071 176.2441 31 P 4.7705 0.0000 0.0000 62.9415 32.9561 178.9480 *40 T 4.2308 8.5688 112.6189 62.9156 69.5250 172.1052 41 F 3.9517 8.7779 127.4178 57.8748 40.3725 176.0670 42 G 3.9175 7.8582 112.5894 48.2663 0.0000 176.0474 43 G 3.7652 8.1542 107.3670 47.7929 0.0000 175.8625 44 T 3.9121 7.9789 117.5091 66.3678 68.6006 176.4265 45 L 3.8981 7.6278 122.2749 57.0934 41.5443 179.9661 46 V 3.6573 7.7658 117.9347 66.1552 31.5177 178.3307 47 S 4.1042 8.0112 114.9352 61.6768 62.6167 176.6733 48 Q 3.7792 8.2410 121.3012 58.8354 28.3665 179.0738 49 S 3.7298 7.8049 115.3126 60.9691 63.0978 176.4017 50 L 3.9037 7.8967 124.0116 57.9236 41.7329 178.8883 51 L 3.8088 7.8773 118.7462 57.5426 41.2851 179.1657 52 A 2.9225 7.4250 119.9568 55.0168 18.5439 179.6265 53 S 4.2342 7.9042 112.5567 61.5501 62.8560 176.6767 54 L 4.0228 7.6225 121.8858 57.7567 41.4420 178.7392 55 H 4.4884 7.6199 115.2867 57.7348 28.6386 176.0333 56 T 4.5465 7.6127 109.0504 60.8669 69.2220 173.8782 57 V 4.1107 7.1748 120.7163 60.1166 34.4281 173.4309 58 P 4.3934 0.0000 0.0000 62.3093 31.8508 177.4554 59 L 3.9046 8.5311 121.2065 57.7914 41.6212 177.9629 60 N 4.6528 8.0906 113.3667 52.6143 37.5725 174.3345 61 F 4.7411 7.6941 117.6618 56.0519 41.1282 175.0763 62 F 5.3181 9.2115 122.9301 54.6809 42.9755 172.6827 63 P 4.3791 0.0000 0.0000 63.5453 30.9114 176.0116 64 T 4.5184 8.8996 114.9714 63.2945 70.3944 174.7238 65 S 4.6318 7.5622 114.2691 57.2700 66.4202 173.1075 66 L 5.0871 7.9392 121.1771 54.0460 45.4730 175.0309 67 H 4.6314 9.1574 121.4358 54.5007 32.6433 172.4840 68 S 4.8134 8.2716 118.9421 56.5642 66.3703 173.2879 69 Y 4.3509 7.9646 120.7317 56.1744 41.2251 174.7341 70 F 4.5193 9.0629 123.7239 56.7014 38.7555 175.3641 71 I 4.2100 8.4483 125.2728 63.1603 38.1061 176.4467 72 K 4.6119 8.3243 120.4339 54.6135 35.4467 176.1208 73 G 3.7714 8.8389 113.5633 46.5573 0.0000 173.4200 74 G 4.2983 8.6997 111.3249 45.1056 0.0000 172.4511 75 D 5.1476 8.9093 120.1549 50.7522 41.4282 175.2630 76 P 4.5973 0.0000 0.0000 63.7442 31.9972 176.5472 77 R 4.3744 7.8681 117.1959 56.8504 30.2875 175.9547 78 T 4.7393 7.3756 114.7509 61.0869 71.9774 174.0090 79 K 4.2674 8.4169 122.7985 56.8298 33.8325 176.0719 80 I 4.5756 8.4982 121.3936 59.9259 39.9199 174.5690 81 T 5.0239 8.5780 123.2563 62.0842 70.4047 172.8897 82 Y 5.2861 9.4983 124.4321 56.6080 40.9157 174.4412 83 H 5.5439 9.5560 120.6726 54.1197 32.2933 172.6438 84 V 4.8365 9.1904 124.6248 61.5826 32.8262 174.9634 85 Q 4.7013 9.2859 126.2313 54.2410 31.2693 174.1913 86 N 4.7723 8.9469 122.7390 53.7329 39.3804 173.7789 87 L 4.6259 8.5542 125.3129 56.0884 43.8681 176.9582 88 R 4.5614 7.4804 115.4062 55.4716 33.2259 173.1017 89 N 5.4351 8.8008 122.0625 52.0156 42.2573 173.8887 90 G 4.1338 8.3180 108.8270 45.0229 0.0000 172.8530 91 R 4.1797 8.6023 118.3595 58.3275 30.6043 177.0621 92 N 4.5236 8.0190 113.7323 53.3412 40.2218 174.2071 93 F 5.8954 7.8545 115.5713 55.9436 43.9076 173.7201 94 I 5.0726 9.0016 121.6694 60.0186 41.1076 173.8351 95 H 5.5360 9.5940 124.4799 54.2043 30.8575 174.0219 96 K 5.1310 9.3051 122.3041 54.6072 36.1544 174.7447 97 Q 5.1148 9.2283 124.2333 54.3711 31.9928 174.3428 98 V 5.0505 9.2522 125.6376 61.4145 34.3372 174.2451 99 S 5.3727 9.4193 123.9964 56.7462 66.0731 172.9382 100 A 5.0836 8.9123 124.7419 50.3576 21.8018 174.8058 101 Y 5.1780 8.9566 119.3962 56.2573 42.4102 174.7894 102 Q 4.5437 8.5431 121.0618 54.8061 32.9694 175.2847 103 H 4.2857 9.4738 121.3706 57.3988 26.2471 174.3045 104 D 4.5640 8.4714 112.1968 55.2331 38.7109 174.0499 105 K 4.6917 8.1155 117.6147 54.1427 35.2169 175.6809 106 L 3.6145 8.6169 125.9972 54.8942 42.4704 176.1280 107 I 4.4029 8.1226 119.3115 61.0566 40.0619 175.0833 108 F 4.8610 7.4517 121.5709 57.7947 42.5464 172.3121 109 T 5.0298 7.4172 119.3397 60.5242 71.3577 172.2739 110 S 5.0004 9.0226 121.1203 56.7600 66.5402 171.9686 111 M 4.9967 9.2594 126.8674 54.1665 34.0237 174.4302 112 I 4.8878 8.8486 127.0551 59.4499 40.5867 174.3064 113 L 5.1778 8.5128 126.8649 53.0776 44.1545 175.6293 114 F 5.6472 9.6782 121.6984 55.8092 43.0190 174.0775 115 A 5.6081 9.6591 122.5571 50.0666 23.0867 176.6520 116 V 3.0882 7.7543 117.8323 61.6622 31.2155 176.1483 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 13 K 8.31 4.45 0.00 1.73 1.84 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.65 7.81 14 I 7.68 4.75 1.86 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 1.31 0.49 0.92 0.00 0.00 15 L 7.59 4.69 0.00 1.61 1.65 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.06 4.70 0.00 2.22 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 2.37 2.37 0.00 17 L 8.62 5.15 0.00 1.63 1.79 0.59 1.09 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 18 V 8.80 4.35 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 1.05 0.00 0.00 0.97 0.00 0.00 19 P 0.00 4.34 0.00 2.02 1.81 0.00 3.72 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 2.08 2.34 0.00 20 L 7.87 4.52 0.00 1.42 1.60 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 S 6.97 4.45 0.00 3.84 3.74 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 22 P 0.00 4.35 0.00 2.04 2.14 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 23 T 7.86 5.00 4.55 0.00 0.00 0.00 0.00 0.00 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 24 S 7.36 5.76 0.00 3.80 4.01 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 25 F 8.66 5.30 0.00 3.19 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 26 V 8.84 5.15 2.12 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 0.75 0.00 0.00 0.99 0.00 0.00 27 T 8.39 4.51 4.53 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 1.49 0.00 0.00 28 K 8.72 4.08 0.00 1.80 2.09 0.00 2.05 0.00 0.00 1.94 0.00 0.00 3.14 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.37 1.39 7.81 29 Y 7.87 4.50 0.00 3.08 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 30 L 8.51 4.26 0.00 1.72 1.87 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.77 0.00 2.11 1.40 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 *40 T 8.57 4.23 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 1.22 0.00 0.00 41 F 8.78 3.95 0.00 3.21 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 42 G 7.86 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 0.00 0.00 0.00 43 G 8.15 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 0.00 0.00 0.00 44 T 7.98 3.91 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 1.27 0.00 0.00 45 L 7.63 3.90 0.00 1.36 0.13 0.78 0.44 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 46 V 7.77 3.66 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 1.07 0.00 0.00 1.10 0.00 0.00 47 S 8.01 4.10 0.00 3.94 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 48 Q 8.24 3.78 0.00 2.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 49 S 7.80 3.73 0.00 4.23 4.45 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 50 L 7.90 3.90 0.00 1.92 1.80 0.91 0.38 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 51 L 7.88 3.81 0.00 1.65 1.48 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.42 2.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.90 4.23 0.00 4.29 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 54 L 7.62 4.02 0.00 1.74 1.71 1.13 1.10 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 55 H 7.62 4.49 0.00 3.24 3.52 0.00 5.60 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 56 T 7.61 4.55 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 1.44 0.00 0.00 57 V 7.17 4.11 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.14 0.00 0.00 58 P 0.00 4.39 0.00 2.40 1.98 0.00 3.05 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 59 L 8.53 3.90 0.00 1.63 1.75 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.09 4.65 0.00 2.78 2.91 0.00 0.00 5.93 7.43 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 61 F 7.69 4.74 0.00 2.88 2.97 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 62 F 9.21 5.32 0.00 3.09 2.97 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 63 P 0.00 4.38 0.00 1.93 1.63 0.00 4.12 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 64 T 8.90 4.52 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 1.35 0.00 0.00 65 S 7.56 4.63 0.00 3.78 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 66 L 7.94 5.09 0.00 1.49 1.39 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 67 H 9.16 4.63 0.00 3.11 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.27 4.81 0.00 3.49 3.32 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 69 Y 7.96 4.35 0.00 2.64 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 70 F 9.06 4.52 0.00 2.97 3.13 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 71 I 8.45 4.21 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.89 0.00 0.00 72 K 8.32 4.61 0.00 1.74 1.64 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 73 G 8.84 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 0.00 0.00 0.00 74 G 8.70 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 0.00 0.00 0.00 0.00 75 D 8.91 5.15 0.00 2.85 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 76 P 0.00 4.60 0.00 2.22 2.30 0.00 3.53 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 77 R 7.87 4.37 0.00 1.85 2.03 0.00 3.17 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 78 T 7.38 4.74 4.27 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 1.08 0.00 0.00 79 K 8.42 4.27 0.00 1.87 1.80 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.44 7.81 80 I 8.50 4.58 1.74 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 1.13 0.59 0.29 0.00 0.00 81 T 8.58 5.02 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 1.13 0.00 0.00 82 Y 9.50 5.29 0.00 3.09 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 83 H 9.56 5.54 0.00 3.30 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 9.19 4.84 2.26 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 0.86 0.00 0.00 1.19 0.00 0.00 85 Q 9.29 4.70 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 86 N 8.95 4.77 0.00 2.74 2.75 0.00 0.00 7.06 7.78 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 87 L 8.55 4.63 0.00 1.78 1.72 0.95 0.74 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 88 R 7.48 4.56 0.00 1.84 1.69 0.00 3.08 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 89 N 8.80 5.44 0.00 2.56 2.62 0.00 0.00 6.73 7.65 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 90 G 8.32 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 0.00 0.00 0.00 91 R 8.60 4.18 0.00 1.83 2.00 0.00 3.37 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 92 N 8.02 4.52 0.00 2.13 1.89 0.00 0.00 6.91 8.13 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 93 F 7.85 5.90 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 94 I 9.00 5.07 1.68 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.38 0.72 0.00 0.00 95 H 9.59 5.54 0.00 3.14 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 9.31 5.13 0.00 1.86 1.78 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.62 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.51 7.81 97 Q 9.23 5.11 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 98 V 9.25 5.05 2.21 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 1.23 0.00 0.00 1.09 0.00 0.00 99 S 9.42 5.37 0.00 4.01 3.69 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 0.00 100 A 8.91 5.08 1.06 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 0.00 101 Y 8.96 5.18 0.00 2.88 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 0.00 102 Q 8.54 4.54 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.32 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 103 H 9.47 4.29 0.00 3.32 3.37 0.00 5.87 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.47 4.56 0.00 2.87 2.78 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 0.00 105 K 8.12 4.69 0.00 2.00 1.69 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.55 7.81 106 L 8.62 3.61 0.00 1.19 1.43 0.51 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.12 4.40 2.08 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 1.15 0.67 0.97 0.00 0.00 108 F 7.45 4.86 0.00 3.06 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 0.00 109 T 7.42 5.03 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 1.05 0.00 0.00 110 S 9.02 5.00 0.00 3.77 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 0.00 111 M 9.26 5.00 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 112 I 8.85 4.89 1.93 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 1.17 0.60 0.25 0.00 0.00 113 L 8.51 5.18 0.00 1.58 1.57 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.68 5.65 0.00 3.20 3.14 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 0.00 115 A 9.66 5.61 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 0.00 116 V 7.75 3.09 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 0.36 0.00 0.00 0.35 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.