NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4953 8.0333 117.3569 63.0604 70.2890 173.2123 3 L 3.8208 8.6250 127.2105 54.0594 42.2071 175.1888 4 H 4.4956 9.2711 124.6953 55.8699 30.2604 176.6158 5 K 3.9660 8.2130 129.6630 57.6384 31.8638 174.1456 6 E 4.4635 7.9542 116.1600 56.9470 30.3053 176.2870 7 R 4.9100 8.9321 117.3733 54.8081 29.6470 176.9086 8 R 4.3312 7.7684 118.2659 55.9877 29.9996 175.9969 9 I 3.1151 8.2745 124.7864 63.9213 37.9908 177.3739 10 G 3.4862 7.8232 105.7388 47.7846 0.0000 175.2417 11 R 3.8625 7.9011 121.5344 59.0119 29.9930 178.4368 12 L 3.8874 7.9836 118.8945 57.7184 41.4904 179.6562 13 S 4.0746 8.0514 114.2180 61.0303 62.8197 176.8765 14 V 3.6886 7.6592 121.5424 66.0351 30.9754 177.8310 15 L 3.9554 7.9714 118.7542 57.9485 41.1768 179.5100 16 L 3.9477 7.7065 119.4558 57.9273 42.1006 178.4429 17 L 4.0477 7.4406 119.3126 57.8690 42.0682 178.5066 18 L 3.9119 7.7081 118.0926 56.1717 42.1616 177.6114 19 N 4.4358 7.1834 115.2759 53.2820 39.4691 176.0551 20 E 4.0919 8.3511 124.3079 55.4806 28.3281 177.5308 *25 T 4.1279 7.5856 117.6673 64.0765 70.5329 175.2810 26 Q 4.0890 8.4980 128.5201 59.5376 28.2682 174.9672 27 V 3.8586 7.8281 120.3911 66.9392 31.6672 178.1840 28 E 4.0947 8.3422 120.0548 61.9062 29.5589 181.0697 29 E 4.2119 7.8806 119.6219 61.1034 29.5641 181.1685 30 L 4.4218 7.8298 118.8178 57.7972 41.7673 179.3415 31 E 4.8250 8.8050 119.3783 58.8811 29.4208 179.2140 32 R 4.1047 8.4203 118.0171 58.7246 30.6169 176.8942 33 D 4.7021 8.0070 118.4485 53.2523 42.0538 177.1693 34 G 3.6313 8.0660 105.7343 46.0027 0.0000 173.2133 35 W 5.0058 7.9955 120.6870 55.5592 30.8975 175.6674 36 K 4.8290 9.2281 124.6101 55.5200 33.0053 176.0407 37 V 5.1221 8.4778 124.0960 61.3194 34.9820 173.9948 38 C 5.0050 9.0781 125.2992 57.8386 35.2620 172.6208 39 L 5.0001 8.1783 123.0818 53.3282 45.6239 175.4002 40 G 3.5004 6.8935 107.1966 45.6736 0.0000 172.1364 41 K 5.3188 8.4853 118.6826 54.5001 35.6341 176.7163 42 V 4.5036 9.4990 123.5108 60.3964 35.1286 173.5373 43 G 4.3215 8.5281 111.5587 44.6880 0.0000 171.6004 44 S 4.7489 9.2177 119.7231 57.7537 66.7283 174.7418 45 M 4.5744 8.5537 117.5065 54.6249 31.8319 174.4729 46 D 4.9252 8.3403 120.4429 52.2314 43.1747 176.5137 47 A 3.9509 8.6680 127.3560 55.4056 18.3267 178.7308 48 H 4.1861 8.0726 112.9644 58.6431 28.4050 177.8364 49 K 3.9788 7.6024 121.3730 59.1844 31.4541 179.4214 50 V 3.5649 7.5064 118.0999 65.7448 31.5636 178.0618 51 I 3.6375 7.8145 119.5226 64.1019 37.0073 178.1991 52 A 4.0549 8.2785 121.4855 54.7176 18.1002 179.6734 53 A 3.9304 7.9235 119.7347 55.4600 18.4936 179.9431 54 I 3.0641 7.0305 117.6278 63.9677 36.9077 178.4505 55 E 3.8946 7.9443 119.7851 59.6396 29.5437 178.8919 56 T 3.8617 8.1613 115.8226 66.6142 68.4917 176.5379 57 A 4.0740 8.5685 123.0436 55.3952 18.1815 179.8981 58 S 4.1971 8.3653 113.7783 61.6412 62.6206 177.0658 59 K 4.1607 8.3301 123.0743 59.7603 31.9828 179.6463 60 K 4.1056 8.1243 123.6649 59.7189 31.9213 180.8817 61 S 4.6579 8.1905 113.8239 58.1317 63.8674 173.9550 62 G 4.1724 8.2345 107.1425 45.6350 0.0000 175.6268 63 V 3.8118 7.5704 122.3697 64.9098 31.7669 175.8219 64 I 4.8915 7.2335 109.7675 58.7641 40.6074 174.3774 65 Q 4.1609 9.8752 122.2879 56.0025 28.9570 177.0580 66 S 4.2739 8.6573 117.0879 60.4155 62.9301 173.9223 67 E 4.2016 8.0316 120.0656 56.4729 29.9951 176.5524 68 G 3.9893 8.9692 109.1365 45.6254 0.0000 172.5031 69 Y 4.7781 8.3694 117.1841 59.1005 39.5581 176.9951 70 R 3.6471 8.0108 119.2818 59.8327 29.9161 177.8512 71 E 4.0645 8.0813 117.1819 59.0808 29.6589 179.0314 72 S 4.1633 8.0181 114.9020 61.6310 62.9083 176.0637 73 H 3.9431 8.2634 121.0887 59.0538 29.4567 177.0493 74 A 4.1165 7.5506 123.7204 54.5890 18.1266 179.4352 75 L 3.9127 8.1597 118.9180 58.2152 42.1073 178.4176 76 Y 3.8610 8.2759 119.7650 61.2188 38.8270 178.0204 77 H 4.1557 8.3508 116.7334 58.5981 28.7220 177.7839 78 A 4.0360 7.7730 122.8056 55.3047 18.1316 179.8083 79 T 3.7109 8.0054 114.4338 67.0608 68.0927 176.6620 80 M 3.6842 7.8417 120.5850 58.5786 31.7102 178.7193 81 E 4.1091 7.8975 117.2705 58.7634 29.8946 178.9854 82 A 4.2557 7.7185 120.7324 55.1644 18.7097 179.3685 83 L 3.9628 8.6020 117.9878 58.1313 41.4709 179.6491 84 H 4.3611 7.9811 116.1310 58.8508 28.4358 177.9704 85 G 3.7244 8.0151 107.6651 46.6906 0.0000 175.8052 86 V 4.3611 7.8498 121.0785 65.3520 32.0794 177.4947 87 T 4.1564 8.4135 108.5863 61.3109 70.1909 174.1062 88 R 3.8857 8.9590 119.6103 55.5618 27.9603 174.2805 89 G 4.1560 7.9576 111.6666 45.7649 0.0000 172.2053 90 E 4.5874 7.9833 119.0880 54.2037 32.1974 177.0229 91 M 4.5992 8.3466 126.4047 53.5635 31.1061 175.3196 92 L 4.9113 7.2890 118.4272 52.8958 47.1863 174.7511 93 L 4.3747 8.5069 118.9456 54.5488 44.0828 178.8181 94 G 3.9550 6.3361 113.4160 49.3545 0.0000 176.2438 95 S 4.2447 8.1151 112.9543 59.9154 63.0227 174.5844 96 L 4.5675 7.8309 121.1727 54.3229 42.2920 175.9986 97 L 3.6483 7.6740 116.7409 55.2986 40.7842 173.7588 98 R 4.9495 7.2892 111.7759 55.6643 32.8712 175.2274 99 T 4.7803 9.3166 114.7700 60.6872 71.7820 172.6601 100 V 4.9519 9.0273 117.6808 59.3979 36.2397 175.4450 101 G 4.3435 8.7311 109.9731 44.6916 0.0000 171.6557 102 L 5.3352 10.3088 126.1850 52.2977 45.9698 175.7255 103 R 5.0910 9.1193 121.9543 54.5161 32.7900 174.5164 104 F 5.6434 8.7915 120.2034 55.0929 42.0121 173.5847 105 A 4.9707 9.2301 120.9963 50.3702 22.6163 175.0733 106 V 4.9158 8.8944 122.3736 61.0508 34.4381 174.3665 107 L 5.4321 8.9709 127.2476 52.9966 45.5566 175.4914 108 R 5.2458 9.9628 122.1282 53.7070 33.8215 174.9420 109 G 4.1669 8.5226 112.0668 46.6126 0.0000 169.7460 110 N 5.6542 8.0533 119.3218 51.7302 39.5950 173.2887 111 P 5.0032 0.0000 0.0000 62.4152 32.2798 174.9278 112 Y 4.9798 8.4620 117.4343 56.4363 39.9131 175.8214 113 E 4.1298 8.8691 120.9114 59.5599 29.7047 178.4663 114 S 4.3102 8.1006 115.9883 58.5005 63.1183 175.1417 115 E 4.1039 8.7770 122.4483 58.0182 29.8463 176.0999 116 A 4.3363 7.6705 118.1788 54.3945 18.5518 178.2851 117 E 4.0783 7.9739 115.0950 56.6386 30.0407 178.5673 118 G 3.9757 7.5194 107.6935 45.1044 0.0000 172.7412 119 D 5.0712 8.2977 117.4100 53.8959 42.7150 175.7353 120 W 5.4215 9.5812 120.1541 55.1236 34.3797 173.9724 121 I 5.2397 9.4368 120.9914 59.3388 41.0687 173.6805 122 A 5.3502 9.4326 130.8152 50.1463 21.8261 174.8799 123 V 4.6991 9.1277 123.1753 61.2551 33.8529 174.6303 124 S 5.3685 9.2433 123.9394 56.7529 66.5817 173.1297 125 L 5.2040 9.0104 123.0891 53.2372 45.7380 174.9756 126 Y 4.6232 8.7748 123.1579 55.1646 42.5167 175.1207 127 G 3.5343 5.7217 111.3811 46.2947 0.0000 170.8405 128 T 5.0267 7.3765 111.3914 59.8276 72.1097 173.6657 129 I 4.7989 8.1919 123.3011 59.8537 41.3082 174.4491 130 G 4.1657 8.3411 115.3174 46.1149 0.0000 172.3955 131 A 4.5667 8.2093 122.1135 50.3909 20.0595 178.1222 132 P 4.7180 0.0000 0.0000 62.3735 30.6805 176.9021 133 I 4.6522 8.5946 120.8129 59.8052 41.0830 176.2635 134 K 3.9933 8.3877 124.0305 57.9476 31.8610 179.5229 135 G 4.2484 7.8003 106.9088 45.9447 0.0000 174.0309 136 L 4.8431 7.2164 119.8395 50.9984 41.4694 174.8110 137 E 4.9353 7.7496 118.2054 56.5703 32.9604 174.0049 138 H 4.8881 7.9256 113.8479 54.8650 32.0625 172.3379 139 E 4.7726 8.7660 117.2783 56.7290 30.1014 176.5323 140 T 4.7605 8.7563 117.0568 60.3831 71.2323 172.3560 141 F 4.9766 8.8219 128.9514 56.7374 43.6990 173.3933 142 G 4.4962 8.7016 110.1429 45.2061 0.0000 172.0836 143 V 5.0828 8.6321 123.3064 61.0462 34.6089 174.4229 144 G 4.8562 9.6140 115.7954 43.7155 0.0000 171.8477 145 I 5.3254 8.4405 124.1146 59.5042 39.8579 174.2906 146 N 5.3172 9.3787 124.6266 52.1392 43.0314 172.6439 147 H 3.4634 8.1654 118.4600 54.4011 30.0072 174.9299 148 I 4.0692 7.7300 120.5552 61.2609 37.8397 174.6073 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 T 8.03 4.50 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 1.23 0.00 0.00 3 L 8.63 3.82 0.00 1.59 1.39 0.77 -0.01 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 4 H 9.27 4.50 0.00 3.20 3.21 0.00 5.82 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.21 3.97 0.00 1.82 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.09 7.81 6 E 7.95 4.46 0.00 2.09 2.10 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 2.30 2.27 0.00 7 R 8.93 4.91 0.00 2.31 2.28 0.00 2.71 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 8 R 7.77 4.33 0.00 1.81 1.84 0.00 3.08 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 9 I 8.27 3.12 1.82 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.89 0.00 0.00 10 G 7.82 3.49 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 0.00 11 R 7.90 3.86 0.00 1.81 2.04 0.00 3.13 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 L 7.98 3.89 0.00 1.46 1.41 0.68 0.77 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 13 S 8.05 4.07 0.00 4.02 4.07 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 14 V 7.66 3.69 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 1.15 0.00 0.00 1.17 0.00 0.00 15 L 7.97 3.96 0.00 1.67 1.68 0.87 0.33 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 16 L 7.71 3.95 0.00 1.62 1.85 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.44 4.05 0.00 1.84 1.78 0.91 1.46 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 18 L 7.71 3.91 0.00 1.56 1.48 0.88 0.23 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 19 N 7.18 4.44 0.00 2.68 2.72 0.00 0.00 7.09 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 20 E 8.35 4.09 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 *25 T 7.59 4.13 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 1.25 0.00 0.00 26 Q 8.50 4.09 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.36 1.98 0.00 27 V 7.83 3.86 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 1.04 0.00 0.00 0.92 0.00 0.00 28 E 8.34 4.09 0.00 2.01 1.95 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 2.32 1.96 0.00 29 E 7.88 4.21 0.00 1.92 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 2.25 2.24 0.00 30 L 7.83 4.42 0.00 1.86 1.92 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.81 4.82 0.00 2.11 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 0.00 2.58 2.49 0.00 32 R 8.42 4.10 0.00 2.03 2.02 0.00 3.23 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 33 D 8.01 4.70 0.00 3.13 2.59 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 34 G 8.07 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 35 W 8.00 5.01 0.00 3.49 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 36 K 9.23 4.83 0.00 1.92 1.83 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.60 7.81 37 V 8.48 5.12 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 38 C 9.08 5.01 0.00 3.07 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 39 L 8.18 5.00 0.00 1.40 1.30 0.86 0.77 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 40 G 6.89 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 41 K 8.49 5.32 0.00 1.56 1.66 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.29 7.81 42 V 9.50 4.50 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 0.78 0.00 0.00 0.95 0.00 0.00 43 G 8.53 4.32 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 0.00 44 S 9.22 4.75 0.00 3.79 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 45 M 8.55 4.57 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 46 D 8.34 4.93 0.00 2.46 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 0.00 0.00 0.00 47 A 8.67 3.95 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 48 H 8.07 4.19 0.00 3.43 3.61 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.60 3.98 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.26 7.81 50 V 7.51 3.56 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 0.96 0.00 0.00 0.87 0.00 0.00 51 I 7.81 3.64 1.97 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 1.23 0.76 0.84 0.00 0.00 52 A 8.28 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 3.93 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 54 I 7.03 3.06 1.53 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.05 0.63 0.00 0.00 55 E 7.94 3.89 0.00 2.07 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 2.34 2.39 0.00 56 T 8.16 3.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 A 8.57 4.07 1.64 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 58 S 8.37 4.20 0.00 4.11 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 59 K 8.33 4.16 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.65 7.81 60 K 8.12 4.11 0.00 1.85 1.70 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 61 S 8.19 4.66 0.00 4.03 3.99 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 0.00 0.00 0.00 62 G 8.23 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 0.00 0.00 0.00 63 V 7.57 3.81 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 0.90 0.00 0.00 1.01 0.00 0.00 64 I 7.23 4.89 2.00 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 1.45 0.83 0.95 0.00 0.00 65 Q 9.88 4.16 0.00 1.97 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.06 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 66 S 8.66 4.27 0.00 3.85 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 67 E 8.03 4.20 0.00 1.99 1.88 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 2.30 2.38 0.00 68 G 8.97 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.37 4.78 0.00 2.94 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 70 R 8.01 3.65 0.00 1.86 1.92 0.00 3.19 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 71 E 8.08 4.06 0.00 2.06 1.98 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 2.37 2.39 0.00 72 S 8.02 4.16 0.00 4.21 4.07 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 73 H 8.26 3.94 0.00 2.24 3.10 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 74 A 7.55 4.12 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 75 L 8.16 3.91 0.00 1.78 1.70 0.92 0.98 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 76 Y 8.28 3.86 0.00 3.12 3.02 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 0.00 0.00 0.00 0.00 77 H 8.35 4.16 0.00 3.20 3.34 0.00 5.67 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 78 A 7.77 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 79 T 8.01 3.71 4.09 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 0.00 0.00 1.00 0.00 0.00 80 M 7.84 3.68 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.18 0.00 81 E 7.90 4.11 0.00 2.14 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 2.40 2.63 0.00 82 A 7.72 4.26 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.60 3.96 0.00 1.69 1.67 0.78 0.78 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 84 H 7.98 4.36 0.00 3.45 3.34 0.00 5.63 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 85 G 8.02 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 0.00 0.00 0.00 86 V 7.85 4.36 2.19 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 0.91 0.00 0.00 0.90 0.00 0.00 87 T 8.41 4.16 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 1.24 0.00 0.00 88 R 8.96 3.89 0.00 1.92 1.97 0.00 3.17 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 89 G 7.96 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 0.00 0.00 0.00 0.00 90 E 7.98 4.59 0.00 1.94 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 2.21 2.20 0.00 91 M 8.35 4.60 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 92 L 7.29 4.91 0.00 1.61 1.49 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.51 4.37 0.00 1.80 1.51 0.87 0.84 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 94 G 6.34 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 95 S 8.12 4.24 0.00 3.99 4.02 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 0.00 0.00 0.00 0.00 96 L 7.83 4.57 0.00 1.61 1.68 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.67 3.65 0.00 1.72 1.65 0.91 0.86 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 98 R 7.29 4.95 0.00 1.87 1.81 0.00 3.01 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 99 T 9.32 4.78 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 1.18 0.00 0.00 100 V 9.03 4.95 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 0.58 0.00 0.00 0.95 0.00 0.00 101 G 8.73 4.34 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 0.00 102 L 10.31 5.34 0.00 1.71 1.55 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.12 5.09 0.00 1.82 1.77 0.00 3.04 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 104 F 8.79 5.64 0.00 3.18 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 0.00 105 A 9.23 4.97 1.20 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 0.00 106 V 8.89 4.92 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 1.05 0.00 0.00 1.08 0.00 0.00 107 L 8.97 5.43 0.00 1.52 1.32 0.84 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 108 R 9.96 5.25 0.00 1.98 1.86 0.00 3.64 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 109 G 8.52 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 0.00 0.00 0.00 110 N 8.05 5.65 0.00 2.84 2.71 0.00 0.00 6.84 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 0.00 111 P 0.00 5.00 0.00 1.88 2.35 0.00 4.11 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.64 0.00 112 Y 8.46 4.98 0.00 2.97 3.03 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 0.00 113 E 8.87 4.13 0.00 2.05 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 2.47 2.55 0.00 114 S 8.10 4.31 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.78 4.10 0.00 1.94 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 2.31 1.87 0.00 116 A 7.67 4.34 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 0.00 117 E 7.97 4.08 0.00 2.08 2.19 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 2.25 1.71 0.00 118 G 7.52 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 0.00 0.00 0.00 119 D 8.30 5.07 0.00 2.74 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 0.00 120 W 9.58 5.42 0.00 3.53 3.38 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 0.00 121 I 9.44 5.24 1.96 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 1.23 1.75 1.00 0.00 0.00 122 A 9.43 5.35 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 0.00 123 V 9.13 4.70 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 0.91 0.00 0.00 0.93 0.00 0.00 124 S 9.24 5.37 0.00 3.92 3.71 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 0.00 125 L 9.01 5.20 0.00 1.38 1.42 0.83 0.60 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 0.00 126 Y 8.77 4.62 0.00 2.45 2.56 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 0.00 0.00 0.00 0.00 127 G 5.72 3.53 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 0.00 0.00 0.00 0.00 128 T 7.38 5.03 4.18 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 1.12 0.00 0.00 129 I 8.19 4.80 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.42 0.92 0.00 0.00 130 G 8.34 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 0.00 0.00 0.00 131 A 8.21 4.57 1.24 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 0.00 0.00 0.00 132 P 0.00 4.72 0.00 2.04 2.07 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 133 I 8.59 4.65 1.86 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 1.15 0.58 0.90 0.00 0.00 134 K 8.39 3.99 0.00 1.68 1.76 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.02 7.81 135 G 7.80 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 0.00 136 L 7.22 4.84 0.00 1.57 1.55 0.91 0.74 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 0.00 137 E 7.75 4.94 0.00 1.95 1.85 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 2.07 2.12 0.00 138 H 7.93 4.89 0.00 3.16 3.45 0.00 5.45 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 0.00 139 E 8.77 4.77 0.00 1.95 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 2.34 2.35 0.00 140 T 8.76 4.76 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 1.16 0.00 0.00 141 F 8.82 4.98 0.00 3.24 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 0.00 142 G 8.70 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 0.00 0.00 0.00 0.00 143 V 8.63 5.08 2.19 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 0.89 0.00 0.00 1.23 0.00 0.00 144 G 9.61 4.86 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 0.00 145 I 8.44 5.33 2.00 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 1.31 0.78 1.16 0.00 0.00 146 N 9.38 5.32 0.00 2.80 2.57 0.00 0.00 6.52 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 0.00 147 H 8.17 3.46 0.00 2.07 1.31 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.73 4.07 1.81 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 1.05 0.88 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.