NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 Q 4.2462 8.3449 121.7075 54.9396 29.5251 174.9241 24 P 4.1576 0.0000 0.0000 60.9564 31.9676 174.2666 25 P 4.1691 0.0000 0.0000 63.2885 32.5904 175.5955 26 Q 4.4057 7.8071 117.8715 54.5377 30.6709 174.2001 27 D 4.5958 7.9775 117.9329 51.6988 42.4797 175.6913 28 L 4.1722 8.3588 126.4098 57.1176 41.8747 178.7783 29 A 3.9713 8.1123 120.3369 55.1529 18.4627 179.3267 30 A 3.9128 8.4494 119.3056 55.2678 18.4767 179.7027 31 E 4.0945 8.2446 117.1103 59.7167 29.4989 179.6169 32 Q 3.8882 8.1753 117.9741 59.0690 28.7065 179.0047 33 S 3.9073 7.9320 116.1016 61.3594 62.7282 176.8569 34 V 3.6778 7.8413 120.8121 66.1891 31.3213 178.1423 35 L 4.1430 7.9925 118.6130 57.6528 41.2154 179.7124 36 G 3.6419 8.1659 105.1123 47.7487 0.0000 175.5565 37 G 3.8417 8.3676 108.6897 47.8857 0.0000 175.6924 38 M 4.1142 8.1533 121.1571 58.0729 31.7617 178.7850 39 L 4.3312 7.7135 119.1426 56.3594 41.8340 178.5642 40 L 4.4687 7.4150 117.4417 54.7432 42.2685 176.8633 41 S 4.5253 7.1928 112.2027 55.4895 65.6132 174.0548 42 K 4.1170 8.9973 128.8046 59.8926 31.8747 178.3151 43 D 4.4006 8.2440 118.3818 57.4404 40.7140 178.5905 44 A 4.0421 8.1005 121.2886 54.8514 18.3100 179.6298 45 I 3.4713 7.4786 118.4802 64.5080 36.7097 178.3606 46 A 3.9282 7.7879 120.8435 55.2910 18.0463 179.1619 47 D 4.3765 7.6145 116.3137 57.5307 41.1069 179.0115 48 V 3.7771 7.9588 118.6500 66.0675 31.3830 177.9170 49 L 4.0513 7.8480 117.5659 57.9492 41.4677 178.6500 50 E 4.0842 7.7090 117.2553 58.7015 29.5416 177.6750 51 R 4.5287 8.2053 115.4637 55.5920 32.5241 175.7415 52 L 4.9155 7.7920 115.9861 52.7231 44.7777 175.6634 53 R 4.7966 8.8267 119.8863 53.4672 33.1138 173.8382 54 P 4.8119 0.0000 0.0000 62.7511 31.2540 175.4222 55 G 3.6336 10.6832 115.2332 46.0362 0.0000 175.5843 56 D 4.3738 7.7851 120.0512 56.4370 41.0265 176.7754 57 F 4.3682 7.5095 115.5537 56.9961 39.5826 174.9603 58 Y 4.2482 10.0544 128.5437 60.4903 39.0559 176.6609 59 R 3.9570 7.9592 119.4045 54.9381 31.3372 174.9395 60 P 4.1845 0.0000 0.0000 65.7857 31.3962 178.3373 61 A 4.1203 7.9128 118.9091 55.6476 18.1557 179.3059 62 H 4.1707 8.0260 114.1622 58.8757 28.7884 177.5594 63 Q 3.8233 8.0063 121.4194 59.1444 28.8844 178.0800 64 N 4.2902 8.2467 117.4761 56.2992 38.5775 177.4805 65 V 3.5102 7.7130 119.3842 66.1408 31.6263 177.0390 66 Y 3.9954 7.8924 119.5043 61.1405 38.4343 178.1641 67 D 4.2884 8.4679 119.4130 57.2020 40.8757 178.6888 68 A 3.9585 8.0779 121.2898 55.0881 18.3138 179.6333 69 I 3.5597 7.7560 118.3428 64.6577 37.1304 178.7124 70 L 3.9204 7.7863 119.7228 57.6518 40.9308 179.1891 71 D 4.3692 8.3767 119.2510 57.4435 40.8177 178.9622 72 L 4.0064 7.8280 119.1504 58.0292 41.6929 178.7755 73 Y 4.2056 8.4052 119.9440 60.9254 38.4597 178.5888 74 G 3.7012 8.4560 105.1586 46.8047 0.0000 174.7939 75 R 4.4671 7.2745 117.4227 54.9889 30.2884 176.4324 76 G 3.8474 7.4208 106.1303 46.3765 0.0000 173.5716 77 E 4.6336 7.8879 118.1968 53.1823 31.3114 174.5937 78 P 4.2953 0.0000 0.0000 62.8733 32.2125 176.2782 79 A 4.5245 8.4860 123.9949 50.2689 19.1630 174.7082 80 D 5.1645 8.5441 121.0452 51.2044 43.0033 177.0161 81 A 3.8629 8.5689 119.3954 55.5108 18.0310 180.0094 82 V 3.5372 7.7727 116.2147 66.4555 31.9047 178.3690 83 T 3.9632 8.3194 109.5421 64.4466 68.5434 176.9089 84 V 3.5230 8.0204 121.1199 65.7568 31.5629 177.5696 85 A 3.9642 7.8137 119.9579 55.4813 18.1473 179.5486 86 A 3.9176 7.8976 118.4898 55.0618 18.2814 179.4936 87 E 3.8623 8.2741 117.8717 59.3584 29.6712 178.9137 88 L 3.9962 8.1808 119.3671 57.9568 41.6567 178.9888 89 D 4.3162 8.3106 117.9566 57.5837 40.9304 178.4136 90 R 3.9439 7.8923 117.2535 59.1176 30.1412 178.2765 91 R 4.3682 7.5316 115.0596 55.4287 30.3353 176.8823 92 G 3.9191 8.0645 107.0646 46.8942 0.0000 175.1305 93 L 4.5482 8.0327 118.8868 54.2589 42.3586 178.0410 94 L 4.0410 7.9067 123.7361 58.8158 42.2298 179.3435 95 R 4.0165 7.9291 119.6820 60.8918 29.2187 180.8332 96 R 4.2130 7.5784 116.2857 59.2718 30.1577 178.3385 97 I 4.0337 7.6597 111.1429 61.6541 38.0973 176.6791 98 G 3.8317 7.2894 108.2799 45.0033 0.0000 174.4888 99 G 3.8365 8.5219 109.3556 44.4874 0.0000 174.3871 100 A 3.9945 8.5933 118.9212 55.0942 18.0542 178.0267 101 P 4.3263 0.0000 0.0000 65.7749 31.3044 178.1868 102 Y 4.3370 8.1169 118.5640 60.7475 38.7355 177.8387 103 L 3.7486 7.9312 119.4083 58.2280 41.5651 179.1823 104 H 4.2012 8.2139 116.0111 58.9748 28.3681 177.9649 105 T 3.8701 7.6785 116.8571 66.5188 68.4383 176.1962 106 L 3.9128 7.8379 121.2074 57.8521 41.4834 179.5099 107 I 3.6696 7.5848 119.8353 64.4232 36.9103 178.0539 108 S 4.4213 7.6004 112.0083 59.7916 63.1634 175.4436 109 T 4.1778 7.4727 113.1204 62.1405 69.3351 174.7447 110 V 4.4562 7.0140 121.2202 59.0622 33.8858 172.9590 111 P 4.2129 0.0000 0.0000 64.7831 31.5498 176.3024 112 T 4.6450 7.3283 109.0302 58.5012 72.0489 173.6279 113 A 4.3377 8.4484 121.6721 52.6682 18.3333 179.2825 114 A 4.0126 7.8484 122.3364 56.0349 18.6602 179.0895 115 N 4.8178 8.2110 110.9319 53.4393 38.9977 176.8601 116 A 4.3345 8.0829 124.1047 55.3327 18.2887 180.7995 117 G 3.5740 8.1364 103.7830 47.9661 0.0000 175.0300 118 Y 4.0206 7.9642 121.4258 60.8557 38.8804 177.8266 119 Y 3.9085 7.9976 117.2750 60.8425 37.9031 178.3082 120 A 3.9664 8.4736 122.4794 55.0822 18.5080 179.8340 121 S 4.0080 8.1319 112.9349 61.3863 62.9342 177.0008 122 I 3.5007 7.1541 123.2708 64.1407 36.8790 178.2509 123 V 3.4136 7.6929 118.8446 66.1144 31.2388 177.9577 124 A 3.8697 7.9711 120.3077 54.9596 18.1777 179.2827 125 E 3.8338 8.0240 117.7775 59.4006 29.7361 179.2386 126 K 3.9442 8.1946 118.4038 59.2367 31.9380 179.2886 127 A 3.9437 7.9877 121.2856 54.7637 18.2427 179.2213 128 L 3.8487 7.8892 118.8733 58.4731 42.1439 179.1905 129 L 3.9425 7.7801 118.6817 57.8435 41.4718 179.6280 130 R 3.8493 8.0993 118.5145 59.5916 29.9896 178.8735 131 R 3.9203 8.3473 118.1403 58.8366 29.8874 178.8592 132 L 3.9253 8.0134 120.5719 58.1184 42.1218 179.1713 133 V 3.5716 7.9220 118.2281 66.0028 31.4131 177.8806 134 E 3.9471 8.5029 118.3101 59.3568 29.3258 179.1152 135 A 4.2514 8.4132 121.3155 55.1421 18.4566 179.9098 136 G 3.5867 8.3516 104.6000 48.2274 0.0000 176.0852 137 T 3.9603 8.0927 112.5718 64.3461 68.6759 176.6752 138 R 3.7612 8.2127 121.6962 59.0100 30.1220 178.5065 139 V 3.7593 8.2433 118.5283 66.1778 31.5527 177.8338 140 V 3.4969 7.7976 117.8336 66.3599 31.2926 177.7227 141 Q 4.0806 8.1397 118.9176 59.3902 28.8056 177.7982 142 Y 4.4449 8.2753 118.1370 61.0160 37.6845 178.8799 143 G 3.5006 7.8827 105.3584 48.2323 0.0000 175.2236 144 Y 4.5397 7.8610 117.8931 59.5961 37.9898 176.4534 145 A 4.6277 7.7756 118.9300 50.2200 20.9774 177.5913 146 G 3.9560 8.5615 104.7116 45.1109 0.0000 173.9155 147 A 4.6309 7.8832 116.1657 51.4173 19.4326 175.7148 148 E 3.8813 9.5578 125.4255 57.2672 27.3047 176.2316 149 G 3.8924 8.2603 102.8727 45.4204 0.0000 173.4819 150 A 4.1608 7.6224 122.5797 51.5304 19.1544 178.1608 151 D 4.5970 8.4002 120.4669 53.0743 41.5010 177.9296 152 V 3.5801 8.3750 120.5194 64.9504 31.1671 178.2038 153 A 3.9214 7.9589 120.7974 55.1216 18.1780 179.0664 154 E 3.8201 8.3874 117.7020 59.3096 29.7028 179.0977 155 V 3.2469 7.6007 118.3650 65.8728 31.4856 178.2615 156 V 3.4853 8.0242 118.3094 65.9848 31.3931 177.6664 157 D 4.2917 7.9885 118.6542 57.4832 40.6742 179.0882 158 R 3.8114 7.9868 118.3665 59.1766 29.5613 179.0529 159 A 4.1146 7.6766 120.5093 55.1851 18.3399 179.7547 160 Q 4.0021 8.3266 116.6476 58.9544 28.7377 178.7390 161 A 4.0547 8.1247 121.9757 54.9175 18.1377 179.3738 162 E 3.9861 7.9737 116.5519 59.9018 29.6526 179.3666 163 I 4.0414 7.4339 119.7475 64.6898 37.3521 178.3208 *164 Y 4.1974 7.8337 121.7576 62.1541 36.5715 180.6597 165 D 4.8352 8.2435 117.6142 55.0744 40.8322 177.3132 166 V 3.9002 7.3722 124.8104 63.2203 31.7028 175.1811 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 23 Q 8.34 4.25 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 24 P 0.00 4.16 0.00 1.82 1.91 0.00 3.55 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 2.12 2.18 0.00 25 P 0.00 4.17 0.00 2.16 1.95 0.00 3.63 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 1.98 2.03 0.00 26 Q 7.81 4.41 0.00 1.92 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.08 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 27 D 7.98 4.60 0.00 2.64 2.51 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 28 L 8.36 4.17 0.00 1.84 1.80 1.14 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.11 3.97 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 30 A 8.45 3.91 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 31 E 8.24 4.09 0.00 2.40 2.33 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 2.35 2.64 0.00 32 Q 8.18 3.89 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 33 S 7.93 3.91 0.00 3.33 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 34 V 7.84 3.68 2.40 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 1.25 0.00 0.00 1.05 0.00 0.00 35 L 7.99 4.14 0.00 1.80 1.61 0.74 0.74 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 36 G 8.17 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 37 G 8.37 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 38 M 8.15 4.11 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.59 0.00 39 L 7.71 4.33 0.00 1.74 1.68 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.41 4.47 0.00 1.74 1.72 0.92 1.23 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 41 S 7.19 4.53 0.00 3.91 3.70 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 42 K 9.00 4.12 0.00 1.94 1.86 0.00 1.87 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.86 7.81 43 D 8.24 4.40 0.00 2.75 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 44 A 8.10 4.04 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 45 I 7.48 3.47 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 -0.13 0.00 0.00 46 A 7.79 3.93 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 47 D 7.61 4.38 0.00 2.81 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 48 V 7.96 3.78 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 1.37 0.00 0.00 1.06 0.00 0.00 49 L 7.85 4.05 0.00 1.84 1.78 0.86 0.83 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 50 E 7.71 4.08 0.00 2.14 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 2.34 2.43 0.00 51 R 8.21 4.53 0.00 1.77 1.88 0.00 3.17 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 52 L 7.79 4.92 0.00 1.58 1.27 0.44 0.68 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 53 R 8.83 4.80 0.00 1.75 1.82 0.00 3.36 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 54 P 0.00 4.81 0.00 2.17 2.42 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.50 0.00 55 G 10.68 3.63 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 56 D 7.79 4.37 0.00 2.53 2.43 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 57 F 7.51 4.37 0.00 3.24 3.04 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 58 Y 10.05 4.25 0.00 2.86 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 59 R 7.96 3.96 0.00 1.92 1.55 0.00 2.92 0.00 0.00 2.83 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 60 P 0.00 4.18 0.00 2.12 2.03 0.00 3.49 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 1.99 2.03 0.00 61 A 7.91 4.12 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 62 H 8.03 4.17 0.00 3.36 2.98 0.00 5.65 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 63 Q 8.01 3.82 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 64 N 8.25 4.29 0.00 3.03 2.85 0.00 0.00 6.67 7.30 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 65 V 7.71 3.51 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 0.92 0.00 0.00 1.05 0.00 0.00 66 Y 7.89 4.00 0.00 2.53 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 67 D 8.47 4.29 0.00 2.87 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 68 A 8.08 3.96 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 69 I 7.76 3.56 1.81 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 1.46 0.78 0.79 0.00 0.00 70 L 7.79 3.92 0.00 1.66 1.63 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.38 4.37 0.00 2.84 2.72 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 72 L 7.83 4.01 0.00 1.88 1.73 0.99 0.82 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 73 Y 8.41 4.21 0.00 3.03 3.10 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 74 G 8.46 3.70 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 0.00 0.00 0.00 75 R 7.27 4.47 0.00 1.96 1.93 0.00 3.45 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 76 G 7.42 3.85 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 0.00 0.00 0.00 77 E 7.89 4.63 0.00 2.08 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 2.25 2.37 0.00 78 P 0.00 4.30 0.00 2.18 2.06 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 79 A 8.49 4.52 1.27 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 0.00 0.00 80 D 8.54 5.16 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 81 A 8.57 3.86 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 82 V 7.77 3.54 2.20 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 1.08 0.00 0.00 0.95 0.00 0.00 83 T 8.32 3.96 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 1.25 0.00 0.00 84 V 8.02 3.52 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 1.05 0.00 0.00 0.95 0.00 0.00 85 A 7.81 3.96 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 86 A 7.90 3.92 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 87 E 8.27 3.86 0.00 2.10 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 2.47 2.38 0.00 88 L 8.18 4.00 0.00 1.88 1.71 0.93 0.89 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 89 D 8.31 4.32 0.00 2.89 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 90 R 7.89 3.94 0.00 2.02 1.99 0.00 3.20 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 91 R 7.53 4.37 0.00 1.91 1.96 0.00 3.44 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 92 G 8.06 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 93 L 8.03 4.55 0.00 1.66 1.68 0.92 0.44 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 94 L 7.91 4.04 0.00 1.84 1.67 0.96 1.09 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 95 R 7.93 4.02 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.28 0.00 96 R 7.58 4.21 0.00 1.92 1.99 0.00 3.11 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 97 I 7.66 4.03 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 1.03 0.00 0.00 98 G 7.29 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 99 G 8.52 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 0.00 100 A 8.59 3.99 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 0.00 101 P 0.00 4.33 0.00 2.23 2.17 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 102 Y 8.12 4.34 0.00 3.01 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 0.00 103 L 7.93 3.75 0.00 1.73 1.55 0.92 1.05 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 0.00 104 H 8.21 4.20 0.00 3.38 3.34 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.68 3.87 4.47 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 1.30 0.00 0.00 106 L 7.84 3.91 0.00 1.56 1.49 0.60 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.58 3.67 1.99 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 1.78 1.21 0.90 0.00 0.00 108 S 7.60 4.42 0.00 3.97 3.98 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 0.00 109 T 7.47 4.18 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 1.21 0.00 0.00 110 V 7.01 4.46 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 0.78 0.00 0.00 1.00 0.00 0.00 111 P 0.00 4.21 0.00 2.22 2.14 0.00 3.74 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 2.03 2.00 0.00 112 T 7.33 4.65 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 1.23 0.00 0.00 113 A 8.45 4.34 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 0.00 114 A 7.85 4.01 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 0.00 115 N 8.21 4.82 0.00 3.00 2.82 0.00 0.00 7.00 7.23 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 0.00 116 A 8.08 4.33 1.44 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 0.00 117 G 8.14 3.57 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 0.00 118 Y 7.96 4.02 0.00 2.85 2.93 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 0.00 119 Y 8.00 3.91 0.00 3.12 3.10 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 0.00 120 A 8.47 3.97 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 0.00 121 S 8.13 4.01 0.00 3.98 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 0.00 122 I 7.15 3.50 1.88 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.08 0.88 0.00 0.00 123 V 7.69 3.41 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 0.42 0.00 0.00 0.80 0.00 0.00 124 A 7.97 3.87 1.28 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 0.00 0.00 0.00 125 E 8.02 3.83 0.00 2.16 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 2.26 2.30 0.00 126 K 8.19 3.94 0.00 1.73 1.77 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.54 7.81 127 A 7.99 3.94 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 0.00 128 L 7.89 3.85 0.00 1.89 1.85 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.78 3.94 0.00 1.87 1.67 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.10 3.85 0.00 2.11 2.06 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 131 R 8.35 3.92 0.00 2.01 1.97 0.00 3.19 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 132 L 8.01 3.93 0.00 1.88 1.86 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.92 3.57 2.20 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 0.97 0.00 0.00 0.94 0.00 0.00 134 E 8.50 3.95 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 2.35 2.44 0.00 135 A 8.41 4.25 1.46 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 0.00 136 G 8.35 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 8.09 3.96 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 1.34 0.00 0.00 138 R 8.21 3.76 0.00 2.00 2.15 0.00 3.08 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.43 0.00 139 V 8.24 3.76 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 0.97 0.00 0.00 1.07 0.00 0.00 140 V 7.80 3.50 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 1.08 0.00 0.00 0.95 0.00 0.00 141 Q 8.14 4.08 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 142 Y 8.28 4.44 0.00 3.29 2.87 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 0.00 143 G 7.88 3.50 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 0.00 0.00 0.00 0.00 144 Y 7.86 4.54 0.00 3.03 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 0.00 145 A 7.78 4.63 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 0.00 146 G 8.56 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 0.00 147 A 7.88 4.63 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 0.00 148 E 9.56 3.88 0.00 2.11 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 2.27 2.26 0.00 149 G 8.26 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 0.00 0.00 0.00 150 A 7.62 4.16 1.40 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 0.00 0.00 0.00 151 D 8.40 4.60 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.37 3.58 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 0.96 0.00 0.00 0.91 0.00 0.00 153 A 7.96 3.92 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 0.00 154 E 8.39 3.82 0.00 2.03 2.20 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 2.24 2.25 0.00 155 V 7.60 3.25 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 0.85 0.00 0.00 0.98 0.00 0.00 156 V 8.02 3.49 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 1.00 0.00 0.00 0.89 0.00 0.00 157 D 7.99 4.29 0.00 2.80 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 0.00 158 R 7.99 3.81 0.00 1.25 1.58 0.00 3.26 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 159 A 7.68 4.11 1.28 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 0.00 0.00 0.00 160 Q 8.33 4.00 0.00 2.25 2.14 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 2.36 2.43 0.00 161 A 8.12 4.05 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 0.00 162 E 7.97 3.99 0.00 2.32 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 2.72 2.76 0.00 163 I 7.43 4.04 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 0.91 0.00 0.00 *164 Y 7.83 4.20 0.00 2.33 2.31 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 0.00 165 D 8.24 4.84 0.00 2.61 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 0.00 166 V 7.37 3.90 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 0.78 0.00 0.00 1.07 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.