NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0264 8.0393 120.2997 61.4886 33.3974 175.9393 3 E 3.8929 7.9013 118.9559 55.0785 29.9399 171.1203 4 V 4.4643 8.7453 117.2891 59.3570 36.7899 176.1921 5 E 4.1707 8.6955 124.3349 59.4788 29.0103 177.1227 6 H 4.7524 7.8648 113.5295 54.5403 32.6148 173.8843 7 W 4.6112 8.0246 117.0432 56.4054 29.2034 175.2464 8 N 5.0755 7.3244 118.4739 53.7062 39.1476 173.8395 9 T 4.6460 7.9371 113.1687 62.8480 70.7725 174.3113 10 L 5.1233 9.0214 123.8081 52.9914 46.2822 175.5823 11 R 4.6606 9.0331 123.4660 54.8900 31.7087 174.3993 12 L 5.1090 8.9056 129.8353 53.5845 44.3691 175.2038 13 R 4.9669 9.1057 124.7795 54.4476 33.8198 174.2792 14 I 4.7889 8.7894 125.3840 59.9196 39.6867 174.1904 15 Y 5.0679 9.5507 126.6505 56.3648 39.8272 175.2801 16 I 5.0839 8.6367 117.2811 59.1825 42.0717 174.4194 17 G 4.6696 8.7666 108.6603 44.6208 0.0000 174.8811 18 E 4.2258 9.0443 122.7834 58.4717 29.8100 177.5856 19 N 4.7744 9.2126 114.8993 53.1797 39.4573 175.1549 20 D 4.5651 7.6812 119.4380 54.7705 41.4919 175.8273 21 K 5.1494 8.3905 120.4298 54.4490 36.2853 175.8268 22 W 4.8906 8.9549 130.2151 56.6549 32.7694 175.0430 23 E 3.6681 9.3331 126.6940 57.2760 26.5082 176.1036 24 G 3.9724 8.4062 106.8296 45.3669 0.0000 174.4211 25 R 4.5236 7.6324 118.4809 53.7433 32.3252 174.0004 26 P 4.6438 0.0000 0.0000 62.6293 32.2076 177.1595 27 L 4.0383 8.8345 125.5900 58.6851 41.8932 178.8410 28 Y 4.1802 7.9492 117.0028 59.9061 37.9846 178.1707 29 K 3.7647 7.0132 119.8593 59.0633 32.1655 179.2362 30 V 3.7038 7.5239 118.0721 65.9999 31.4133 178.0562 31 I 3.5893 7.8161 119.5119 64.5664 36.8841 178.6978 32 V 3.6358 8.0692 119.0752 65.6734 31.2493 177.7339 33 E 3.9035 8.3026 119.6000 59.0902 29.3703 178.9482 34 K 3.9478 8.1590 118.5787 59.5065 32.0073 179.1958 35 L 3.9538 7.8584 119.2613 57.7984 41.3461 179.7315 36 R 3.8975 7.7873 118.6530 59.2436 29.9443 177.6844 37 E 4.3676 7.7091 113.2001 57.3437 29.9743 177.2743 38 M 4.4011 7.6394 119.0783 54.6327 32.8690 176.0529 39 G 3.8186 7.7031 107.0641 46.4876 0.0000 174.0793 40 I 3.9436 7.3475 119.5057 60.1192 38.0060 176.2097 41 A 4.0463 8.7627 128.5144 53.6518 18.1833 178.1038 42 G 3.8627 7.3661 99.0774 46.5586 0.0000 171.4146 43 A 4.7203 7.9003 117.6643 51.4499 22.0000 176.2685 44 T 4.3948 8.6346 116.4626 61.5705 72.3505 173.1413 45 V 4.6300 8.0913 125.5955 61.2698 33.4401 174.2059 46 Y 4.8531 9.0449 125.1248 56.0781 41.7243 174.5203 47 R 4.7737 8.5052 121.9931 54.4368 32.1990 175.7438 48 G 4.0955 9.0995 115.0660 46.2776 0.0000 172.6309 49 I 4.5500 8.0494 111.3282 61.0233 38.8688 175.1080 50 Y 4.5571 7.6024 120.7135 57.4788 41.1649 172.4431 51 G 3.8430 6.5763 111.7023 45.3345 0.0000 172.5750 52 F 4.7055 7.7954 112.1911 55.6479 40.0536 173.9495 53 G 3.8986 8.5871 111.5546 43.3351 0.0000 172.3510 54 K 4.0940 8.9609 124.9548 60.0843 32.9756 177.7795 55 K 4.3581 7.4253 118.0800 55.0388 32.3252 177.0501 *67 S 4.2029 7.5634 112.8286 58.8644 62.4445 172.5277 68 T 4.2513 8.3055 119.1240 62.2665 67.7718 174.3353 69 D 4.9006 7.3015 120.8610 52.3595 41.7604 174.6224 70 L 4.3746 8.2114 123.4964 53.9895 43.4478 174.4254 71 P 4.8521 0.0000 0.0000 62.5555 33.0086 175.2347 72 I 4.8714 8.9871 124.2180 59.4703 40.8095 174.4790 73 I 4.7350 9.0094 127.2353 59.4185 40.3249 174.4659 74 V 4.5607 8.5464 127.7543 61.2040 33.3146 173.8726 75 E 5.2197 9.1764 129.4850 54.4961 32.4662 174.9313 76 V 4.6259 8.8921 119.4442 59.6378 35.7745 174.3724 77 V 4.7365 8.3100 125.4796 61.5541 33.1370 173.9890 78 D 4.5569 8.4344 126.2747 53.5537 45.5557 174.6136 79 R 4.2097 9.8991 119.2167 55.7191 30.9079 178.3028 80 G 3.6887 8.2238 106.5258 48.4958 0.0000 175.5291 81 H 4.0557 8.1614 120.6116 58.8667 29.8777 176.6366 82 N 4.2723 8.1582 117.6178 56.6873 38.4350 177.3324 83 I 3.7361 7.6580 120.6595 64.1374 37.0992 178.1898 84 E 3.9002 8.1067 120.4771 58.9315 29.4784 178.8043 85 K 3.7886 7.9401 118.5825 59.5262 32.1004 179.0592 86 V 3.5127 7.6195 118.2631 66.2505 31.2672 178.1691 87 V 3.5320 7.6819 117.5452 66.2344 31.1591 177.7602 88 N 4.2669 7.8591 114.7950 56.0270 38.3371 177.2482 89 V 3.7408 7.3496 118.9365 65.7146 31.9580 177.7440 90 I 3.8473 7.9552 119.0335 62.9923 36.9468 178.1419 91 K 3.8513 8.1553 120.3148 59.2320 31.6723 177.2653 92 P 4.2627 0.0000 0.0000 65.7794 31.4177 178.2417 93 M 3.4620 7.3255 115.7890 55.5604 31.7942 176.2261 94 I 4.3312 7.0593 120.0649 59.7179 37.9049 175.2957 95 K 4.3246 8.5873 124.7271 56.6118 33.1037 176.5949 96 D 4.5274 8.1952 117.7521 54.0497 43.1665 174.6047 97 G 3.9722 7.7168 116.2318 46.5548 0.0000 169.8871 98 M 4.8615 8.1055 116.9006 54.2013 35.1505 174.2894 99 I 5.1933 8.3680 120.7729 59.9909 40.0057 174.8637 100 T 4.9269 8.9814 117.5532 60.0748 72.2158 173.4708 101 V 5.5347 8.3610 120.3851 61.4421 34.1891 172.8189 102 E 4.8144 8.5491 120.1270 54.3936 32.8998 172.6656 103 P 4.9574 0.0000 0.0000 63.5383 32.2583 175.3270 104 T 4.6224 8.3294 114.7373 61.4165 70.9457 172.5457 105 I 4.5257 8.2786 126.0369 59.5296 39.5890 175.2299 106 V 4.0576 8.0003 128.2695 62.1551 32.1720 176.3864 107 L 4.1454 8.7947 127.7783 55.8619 42.4856 175.7052 108 W 5.9044 7.6746 124.7974 56.4126 34.8418 174.4987 109 V 4.1141 7.8654 114.4783 61.1649 35.4876 174.2441 110 G 3.4643 8.4299 115.5492 46.7011 0.0000 171.7154 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 2 V 8.04 4.03 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 0.88 0.00 0.00 0.89 0.00 0.00 3 E 7.90 3.89 0.00 1.95 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 2.03 1.92 0.00 4 V 8.75 4.46 2.13 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 0.79 0.00 0.00 1.02 0.00 0.00 5 E 8.70 4.17 0.00 2.09 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 2.49 2.60 0.00 6 H 7.86 4.75 0.00 3.14 2.97 0.00 5.77 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 7 W 8.02 4.61 0.00 3.50 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 8 N 7.32 5.08 0.00 2.12 2.33 0.00 0.00 7.16 7.22 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 9 T 7.94 4.65 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 1.27 0.00 0.00 10 L 9.02 5.12 0.00 1.49 1.50 0.91 0.77 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 11 R 9.03 4.66 0.00 1.87 2.07 0.00 3.20 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 12 L 8.91 5.11 0.00 1.77 1.63 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.11 4.97 0.00 1.86 1.71 0.00 3.17 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 14 I 8.79 4.79 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 1.22 0.75 0.91 0.00 0.00 15 Y 9.55 5.07 0.00 2.80 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 16 I 8.64 5.08 2.07 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 1.19 1.11 1.00 0.00 0.00 17 G 8.77 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.04 4.23 0.00 2.09 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 2.47 2.36 0.00 19 N 9.21 4.77 0.00 2.82 2.88 0.00 0.00 7.00 5.94 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 20 D 7.68 4.57 0.00 2.89 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 21 K 8.39 5.15 0.00 1.72 1.69 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.50 1.65 7.81 22 W 8.95 4.89 0.00 3.28 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 23 E 9.33 3.67 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.47 0.00 24 G 8.41 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 0.00 0.00 0.00 25 R 7.63 4.52 0.00 1.93 1.82 0.00 3.14 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 26 P 0.00 4.64 0.00 1.71 1.81 0.00 3.51 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 1.99 2.09 0.00 27 L 8.83 4.04 0.00 1.95 1.78 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.95 4.18 0.00 3.21 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 29 K 7.01 3.76 0.00 1.65 1.70 0.00 1.41 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.05 0.21 7.81 30 V 7.52 3.70 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 1.02 0.00 0.00 1.07 0.00 0.00 31 I 7.82 3.59 2.04 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 1.28 0.53 0.88 0.00 0.00 32 V 8.07 3.64 2.28 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 0.99 0.00 0.00 1.04 0.00 0.00 33 E 8.30 3.90 0.00 2.34 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 2.29 2.33 0.00 34 K 8.16 3.95 0.00 2.01 1.79 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.55 7.81 35 L 7.86 3.95 0.00 1.82 1.70 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.79 3.90 0.00 2.07 1.93 0.00 3.07 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 37 E 7.71 4.37 0.00 2.15 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 0.00 2.46 2.33 0.00 38 M 7.64 4.40 0.00 1.92 2.32 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 39 G 7.70 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.35 3.94 2.00 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 1.20 0.42 1.00 0.00 0.00 41 A 8.76 4.05 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 42 G 7.37 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 43 A 7.90 4.72 1.13 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 44 T 8.63 4.39 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 0.57 0.00 0.00 45 V 8.09 4.63 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 0.63 0.00 0.00 0.88 0.00 0.00 46 Y 9.04 4.85 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 4.77 0.00 1.68 1.77 0.00 3.23 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 48 G 9.10 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 0.00 0.00 0.00 49 I 8.05 4.55 1.93 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 1.30 0.85 0.95 0.00 0.00 50 Y 7.60 4.56 0.00 2.92 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 51 G 6.58 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 0.00 0.00 0.00 52 F 7.80 4.71 0.00 3.01 2.88 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 53 G 8.59 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 54 K 8.96 4.09 0.00 1.96 2.13 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.48 7.81 55 K 7.43 4.36 0.00 1.70 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.43 7.81 *67 S 7.56 4.20 0.00 4.08 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 68 T 8.31 4.25 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 69 D 7.30 4.90 0.00 2.90 2.52 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 70 L 8.21 4.37 0.00 1.82 1.58 1.00 1.12 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 71 P 0.00 4.85 0.00 2.08 1.96 0.00 3.57 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 2.20 2.04 0.00 72 I 8.99 4.87 1.70 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.89 0.57 0.00 0.00 73 I 9.01 4.74 1.83 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 0.66 0.06 0.27 0.00 0.00 74 V 8.55 4.56 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 0.93 0.00 0.00 0.93 0.00 0.00 75 E 9.18 5.22 0.00 2.13 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 2.23 2.29 0.00 76 V 8.89 4.63 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 0.63 0.00 0.00 0.91 0.00 0.00 77 V 8.31 4.74 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 0.78 0.00 0.00 0.95 0.00 0.00 78 D 8.43 4.56 0.00 2.73 2.44 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 79 R 9.90 4.21 0.00 1.84 1.72 0.00 3.09 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 80 G 8.22 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 0.00 0.00 0.00 81 H 8.16 4.06 0.00 3.21 3.30 0.00 5.89 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 82 N 8.16 4.27 0.00 3.05 2.83 0.00 0.00 7.10 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 83 I 7.66 3.74 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.89 0.00 0.00 84 E 8.11 3.90 0.00 1.99 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 2.24 2.30 0.00 85 K 7.94 3.79 0.00 2.03 1.80 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.50 7.81 86 V 7.62 3.51 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 1.04 0.00 0.00 0.97 0.00 0.00 87 V 7.68 3.53 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 1.04 0.00 0.00 0.95 0.00 0.00 88 N 7.86 4.27 0.00 2.92 2.84 0.00 0.00 7.05 7.69 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 89 V 7.35 3.74 2.17 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 0.74 0.00 0.00 0.94 0.00 0.00 90 I 7.96 3.85 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.67 0.80 0.00 0.00 91 K 8.16 3.85 0.00 1.89 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 92 P 0.00 4.26 0.00 1.92 2.13 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.15 0.00 93 M 7.33 3.46 0.00 1.10 1.73 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.81 0.00 94 I 7.06 4.33 1.84 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 1.26 0.59 0.92 0.00 0.00 95 K 8.59 4.32 0.00 1.80 1.90 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.42 7.81 96 D 8.20 4.53 0.00 2.59 2.55 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 0.00 97 G 7.72 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 0.00 0.00 0.00 98 M 8.11 4.86 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.00 0.00 99 I 8.37 5.19 1.88 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 1.43 0.70 0.93 0.00 0.00 100 T 8.98 4.93 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 1.18 0.00 0.00 101 V 8.36 5.53 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 0.44 0.00 0.00 1.00 0.00 0.00 102 E 8.55 4.81 0.00 2.00 2.05 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 2.28 2.30 0.00 103 P 0.00 4.96 0.00 2.00 2.07 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 104 T 8.33 4.62 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 1.24 0.00 0.00 105 I 8.28 4.53 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.96 0.00 0.00 106 V 8.00 4.06 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 1.03 0.00 0.00 0.97 0.00 0.00 107 L 8.79 4.15 0.00 1.70 1.62 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 108 W 7.67 5.90 0.00 3.16 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 0.00 109 V 7.87 4.11 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 0.77 0.00 0.00 1.10 0.00 0.00 110 G 8.43 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.