NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 Q 4.2757 8.3449 119.1111 54.7279 29.4425 174.0681 16 E 4.4476 8.6320 123.8644 54.2482 30.9601 174.1893 17 H 4.7575 9.8998 123.9828 54.4686 30.8130 174.4025 18 K 5.0593 8.8321 123.7292 56.2610 33.7080 176.3111 19 V 5.2932 9.4407 124.0509 61.2767 35.2719 173.8635 20 I 5.2557 8.8511 120.8332 59.3231 40.7439 174.3187 21 I 5.0841 9.0411 125.7574 59.9097 39.5955 175.1125 22 V 4.8871 10.1024 120.1404 58.8818 36.1128 175.1771 23 G 4.4504 8.3905 111.1433 45.8719 0.0000 171.8870 24 L 4.3885 7.8172 120.5033 53.8112 42.3730 176.6435 25 D 4.3049 8.2576 119.7120 55.0361 39.5297 176.3156 26 N 4.3924 8.9765 118.6766 53.7516 37.6787 174.7071 27 A 4.0376 7.6170 120.7185 56.1122 18.7503 178.2421 28 G 3.9494 8.4261 104.4169 45.8515 0.0000 176.0615 29 K 3.9224 8.4819 122.0877 59.4506 32.0264 179.1513 30 T 3.8308 7.7914 115.3790 67.0662 68.3854 176.7055 31 T 3.8297 7.7518 117.0389 66.5565 68.4788 176.7244 32 I 3.3006 7.6710 121.7183 64.0782 36.8476 178.2598 33 L 3.5706 7.3219 119.8524 57.9693 42.2100 177.8003 34 Y 4.2415 8.0332 119.5576 61.2208 38.7159 178.5761 35 Q 3.9812 8.4110 118.5315 58.5395 28.7969 178.5536 36 F 4.5644 8.1105 119.6363 60.7037 38.7430 177.5412 37 S 4.2792 7.8681 111.7524 60.5745 62.9552 175.2814 38 M 4.2381 7.4388 120.6114 54.4186 33.0359 175.7514 39 N 4.4904 7.4713 119.3730 52.9276 39.9441 174.9632 40 E 3.9216 9.0134 126.1045 59.6593 29.6106 178.6042 41 V 3.7873 7.7675 109.1240 62.8496 31.9479 176.1151 42 V 4.3317 7.2825 120.4578 61.5206 32.2892 175.3378 43 H 4.2128 8.9954 128.6722 56.4437 30.5804 175.3002 44 T 3.9226 8.1939 121.8331 63.8824 67.7257 173.3106 *52 V 3.8532 8.0154 124.3898 61.2117 32.3371 174.9456 53 E 4.6434 8.5714 125.0478 54.4138 33.5959 173.1740 54 E 4.8576 8.6931 126.6259 55.2714 31.0715 175.0212 55 I 4.5360 8.9307 128.2711 59.5288 40.0701 174.5191 56 V 4.8926 8.4638 126.8863 61.1031 34.1629 174.2818 57 I 4.8687 8.7107 128.7250 60.4511 40.7363 176.2997 58 N 4.0000 8.9363 126.3484 55.4889 37.6121 175.3872 59 N 4.7804 9.2198 121.2879 52.9412 38.2311 175.0925 60 T 4.4007 8.3131 117.1066 62.8815 70.1054 173.5526 61 R 4.8324 8.2432 125.4991 54.8016 32.0827 175.1759 62 F 5.2850 9.4699 123.3207 55.5707 42.1874 174.4510 63 L 4.8605 9.0544 125.1739 53.6700 44.1079 174.7207 64 M 5.2544 8.8860 126.8255 53.3413 34.9602 174.8648 65 W 4.8855 9.2823 123.7201 54.9131 31.9700 174.6718 66 D 5.0688 8.9764 125.6373 53.2959 40.7937 175.5902 67 I 3.7419 8.5432 128.3257 62.6724 37.5672 175.1558 68 G 3.5067 8.8697 117.6324 45.8633 0.0000 172.0974 *75 S 4.2139 7.8015 121.0044 57.7591 64.3645 173.6839 76 S 4.1768 8.4578 117.4755 60.1306 62.7504 174.6774 77 W 3.6256 8.3234 123.4225 57.7986 26.2784 173.5899 78 N 5.0490 7.7617 113.9255 52.0210 41.0078 173.6963 79 T 4.1048 7.8770 114.1431 60.8836 70.3191 172.0061 80 Y 4.0329 7.9964 122.8517 58.9523 37.8400 177.0903 *81 Y 4.0328 8.4250 123.4636 56.9608 37.3526 173.1494 82 T 4.0082 8.3024 112.9292 62.3831 69.4492 172.9939 83 N 4.0918 8.6900 118.6125 54.9064 37.2548 174.8235 84 T 4.1549 8.0010 113.6204 63.7816 68.8754 174.4342 85 E 4.2472 9.3290 127.3687 57.7421 31.3555 176.6517 86 F 5.3612 8.1438 116.8574 55.7187 43.9092 173.6815 87 V 4.8280 9.0568 122.9265 61.3252 33.8996 174.2174 88 I 4.8716 9.3024 129.4422 59.8677 39.2358 174.6620 89 V 4.7015 8.7212 128.5446 61.4137 33.1218 174.5476 90 V 4.6790 8.7973 129.1888 61.5958 32.8084 174.9354 91 V 4.3403 8.7300 128.5575 60.9099 34.0519 173.9867 92 D 4.8191 8.7129 127.7254 54.1069 41.2931 176.8576 93 S 4.2197 9.1015 124.4100 61.1310 63.0721 176.8706 94 T 4.0797 8.0671 109.5922 63.2738 68.9619 175.1711 95 D 4.6076 7.7642 124.2515 52.9228 39.5731 176.5344 96 R 3.8299 7.9059 121.7248 58.6387 30.5662 177.6313 97 E 4.0958 8.1204 117.3158 58.7080 29.8548 178.4306 98 R 4.4891 7.7082 115.2425 55.9904 30.6739 177.9050 99 I 3.7348 7.3950 120.1945 63.9023 37.8346 177.8878 100 S 4.5059 8.0583 115.0476 61.3187 62.8629 176.5469 101 V 3.5802 7.6990 121.3428 66.1485 31.3484 177.8832 102 T 3.8779 7.9233 115.4848 66.6894 68.2983 176.4260 103 R 3.9899 8.4096 120.6993 59.5881 30.0990 178.4318 104 E 4.0419 8.2846 118.2362 59.5885 29.5265 179.1612 105 E 4.0252 8.4282 118.7024 59.1464 29.4078 179.0838 106 L 3.8090 8.2584 120.7399 58.6305 42.2518 178.8651 107 Y 3.9359 7.9414 116.3213 60.4677 37.5325 178.1124 108 K 4.0298 7.9974 120.3650 59.5970 32.5925 178.2607 109 M 4.1716 8.1946 118.4824 58.7260 32.0140 178.2674 110 L 3.9651 7.8704 117.4731 57.3784 41.7564 178.9793 111 A 4.2631 7.7905 119.4849 53.5581 18.8752 177.6461 112 H 4.1798 7.8235 116.1887 56.0239 29.2657 176.4930 113 E 4.0399 8.9757 124.5421 59.3899 29.5218 178.3465 114 D 4.6203 8.1349 115.6147 54.6221 40.1193 176.4631 115 L 4.6135 7.6601 119.7314 54.6945 42.0039 178.4596 116 R 3.9556 7.7676 120.8378 59.0385 29.9397 177.9085 117 K 4.2241 7.8703 113.7308 56.4220 32.6942 176.4869 118 A 4.2494 7.5375 121.9560 51.6426 18.9779 177.8666 119 G 4.0535 8.6258 109.9660 45.8938 0.0000 172.3303 120 L 5.2393 9.3777 125.6814 53.0690 44.3785 174.6776 121 L 4.8336 9.0541 129.2214 53.3117 44.5836 174.7959 122 I 4.7149 8.6397 127.9761 59.6881 39.5491 174.6513 123 F 5.1604 9.0027 126.7226 56.1401 40.7012 175.3889 124 A 4.5235 9.1216 127.9359 51.1774 18.2620 176.1433 125 N 4.8686 9.4697 121.0293 53.2266 41.6964 174.4362 126 K 4.5053 8.4448 116.6740 57.3221 29.2486 177.7448 127 Q 4.2928 7.9093 117.2536 57.4448 28.8982 177.4576 128 D 4.4466 7.9380 118.2529 55.4469 39.8455 176.5816 129 V 3.9248 7.5694 120.6020 61.7731 32.1111 175.1607 130 K 3.9707 8.5754 130.7952 58.3002 32.6145 176.8924 131 E 3.8514 8.9622 119.8023 56.3961 27.1928 172.7517 132 C 4.5583 7.3954 112.8653 58.9579 30.6834 173.4422 133 M 4.4937 8.6819 120.5154 55.5736 32.2167 177.0135 134 T 4.2648 9.0235 113.5278 61.1963 70.2080 176.0183 135 V 3.6531 8.5374 122.2800 64.9726 31.2262 178.3678 136 A 4.0162 7.9488 120.9372 54.9315 18.2470 179.2193 137 E 3.9460 8.2575 117.1583 59.5559 29.5044 179.6820 138 I 3.7281 7.8689 119.7046 64.4670 37.2308 178.1947 139 S 4.0258 8.3342 114.2584 61.5746 62.2122 176.1087 140 Q 3.9222 8.3604 122.1563 59.2262 28.6347 177.9277 141 F 4.0631 8.3797 120.7955 61.1135 39.5796 176.3768 142 L 4.2264 8.3908 116.0728 54.2194 42.1510 176.7089 143 K 3.8071 7.8767 117.7514 57.1538 30.5172 177.7144 144 L 3.3470 7.6391 120.5263 57.8114 41.5410 179.6840 145 T 4.4742 7.7404 106.0831 63.0637 68.8929 174.7141 146 S 4.5838 7.7307 116.3622 58.2282 63.6336 174.3560 147 I 3.9751 7.6755 123.6466 61.6484 37.1543 175.8397 148 K 4.5185 8.8062 123.6759 56.7720 33.8954 176.6661 149 D 4.9280 8.2071 115.3911 54.1211 41.6054 175.5164 150 H 5.0489 7.9238 115.4613 53.6365 32.8051 173.0279 151 Q 4.5676 8.8238 122.4117 56.1006 29.5469 175.3464 152 W 5.7657 8.5416 119.6466 55.3993 31.9188 173.6748 153 H 4.0820 8.4276 119.8253 54.3455 32.8491 171.6068 154 I 4.7975 7.9668 124.9682 59.2680 40.2557 174.3361 155 Q 4.4940 8.9701 129.4486 53.9809 32.1082 174.0655 156 A 4.7488 8.7516 128.7769 52.7064 20.0722 175.5968 157 C 4.9170 8.8412 114.6815 57.6190 34.0289 172.5939 158 C 4.7839 8.8444 118.9033 57.7111 33.3768 174.5060 159 A 3.9821 8.8315 130.1547 54.3031 18.3286 178.5235 160 L 4.1567 7.9377 115.3430 56.9532 41.8550 177.8412 161 T 4.3773 7.9804 106.0729 60.5873 70.7420 175.1975 162 G 3.8912 8.4984 110.7937 44.8094 0.0000 172.8935 163 E 4.1153 7.6905 121.9488 57.6233 30.0545 177.5306 164 G 4.3935 8.9225 113.7957 46.7564 0.0000 175.4751 165 L 4.0918 7.9677 120.0783 57.8487 41.4751 178.5981 166 C 4.0176 8.2207 118.2164 62.8860 31.5592 175.5990 167 Q 4.1520 8.2720 119.0012 58.8554 28.3338 178.8808 168 G 3.8043 8.1976 106.6735 47.9279 0.0000 175.7219 169 L 3.7393 8.1934 121.7969 57.4192 41.5650 179.5288 170 E 3.9213 8.5650 118.9564 58.9334 29.1269 179.2119 171 W 3.9378 8.0080 127.5441 60.6251 31.0940 177.3748 172 M 3.5485 7.9676 118.6136 58.7507 30.8835 178.5188 173 M 4.0732 7.9190 118.6845 58.6165 31.9393 178.9372 174 S 4.1472 7.6201 112.6415 60.3719 63.3449 175.6004 175 R 4.1766 6.9469 119.8703 55.8778 30.1043 176.2310 176 L 4.2649 7.4536 124.2763 55.0734 41.6281 176.7455 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 15 Q 8.34 4.28 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 16 E 8.63 4.45 0.00 1.95 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 2.26 2.36 0.00 17 H 9.90 4.76 0.00 2.79 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.83 5.06 0.00 2.14 2.17 0.00 1.89 0.00 0.00 1.96 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 2.05 1.66 7.81 19 V 9.44 5.29 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 1.33 0.00 0.00 1.30 0.00 0.00 20 I 8.85 5.26 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 1.13 0.00 0.00 21 I 9.04 5.08 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 1.00 0.00 0.00 22 V 10.10 4.89 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 0.87 0.00 0.00 1.03 0.00 0.00 23 G 8.39 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 0.00 0.00 0.00 24 L 7.82 4.39 0.00 1.73 1.63 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.26 4.30 0.00 2.78 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 26 N 8.98 4.39 0.00 2.86 3.01 0.00 0.00 7.03 7.96 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 27 A 7.62 4.04 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 28 G 8.43 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 0.00 0.00 0.00 29 K 8.48 3.92 0.00 1.82 1.98 0.00 1.83 0.00 0.00 1.98 0.00 0.00 3.23 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.55 7.81 30 T 7.79 3.83 4.20 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 1.18 0.00 0.00 31 T 7.75 3.83 4.15 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 1.17 0.00 0.00 32 I 7.67 3.30 1.61 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 0.98 0.57 -0.07 0.00 0.00 33 L 7.32 3.57 0.00 1.57 1.80 1.05 1.00 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 34 Y 8.03 4.24 0.00 3.11 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 35 Q 8.41 3.98 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.70 2.75 0.00 36 F 8.11 4.56 0.00 3.19 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 37 S 7.87 4.28 0.00 3.95 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 38 M 7.44 4.24 0.00 1.94 2.26 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 39 N 7.47 4.49 0.00 3.01 2.68 0.00 0.00 6.69 7.48 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 40 E 9.01 3.92 0.00 1.96 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 2.29 2.30 0.00 41 V 7.77 3.79 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 0.74 0.00 0.00 0.92 0.00 0.00 42 V 7.28 4.33 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 0.74 0.00 0.00 0.89 0.00 0.00 43 H 9.00 4.21 0.00 3.18 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.19 3.92 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 1.16 0.00 0.00 *52 V 8.02 3.85 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 0.73 0.00 0.00 0.56 0.00 0.00 53 E 8.57 4.64 0.00 2.05 1.76 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 2.21 2.29 0.00 54 E 8.69 4.86 0.00 2.23 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 2.24 1.90 0.00 55 I 8.93 4.54 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.90 0.80 0.00 0.00 56 V 8.46 4.89 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 1.11 0.00 0.00 0.94 0.00 0.00 57 I 8.71 4.87 2.02 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.70 0.95 0.00 0.00 58 N 8.94 4.00 0.00 2.83 2.06 0.00 0.00 6.95 8.00 0.00 0.00 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 N 9.22 4.78 0.00 2.73 2.68 0.00 0.00 6.45 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 60 T 8.31 4.40 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 0.61 0.00 0.00 61 R 8.24 4.83 0.00 1.84 1.81 0.00 3.09 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 62 F 9.47 5.29 0.00 3.06 2.94 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 0.00 0.00 0.00 63 L 9.05 4.86 0.00 1.83 1.42 0.63 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.89 5.25 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 65 W 9.28 4.89 0.00 3.44 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 66 D 8.98 5.07 0.00 2.76 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 67 I 8.54 3.74 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.93 0.00 0.00 68 G 8.87 3.51 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 0.00 *75 S 7.80 4.21 0.00 3.92 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 76 S 8.46 4.18 0.00 3.95 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 77 W 8.32 3.63 0.00 3.47 3.29 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 0.00 0.00 0.00 0.00 78 N 7.76 5.05 0.00 2.82 2.59 0.00 0.00 6.56 7.12 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 79 T 7.88 4.10 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 1.21 0.00 0.00 80 Y 8.00 4.03 0.00 3.20 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 *81 Y 8.43 4.03 0.00 2.33 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 0.00 0.00 0.00 0.00 82 T 8.30 4.01 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 83 N 8.69 4.09 0.00 3.14 2.94 0.00 0.00 7.07 7.70 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 84 T 8.00 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 1.31 0.00 0.00 85 E 9.33 4.25 0.00 2.14 1.66 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 0.00 2.24 2.50 0.00 86 F 8.14 5.36 0.00 3.08 3.01 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 87 V 9.06 4.83 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 1.05 0.00 0.00 0.84 0.00 0.00 88 I 9.30 4.87 2.08 0.00 0.00 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 1.25 0.67 1.23 0.00 0.00 89 V 8.72 4.70 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 1.00 0.00 0.00 0.91 0.00 0.00 90 V 8.80 4.68 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 0.82 0.00 0.00 1.03 0.00 0.00 91 V 8.73 4.34 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 0.86 0.00 0.00 0.95 0.00 0.00 92 D 8.71 4.82 0.00 2.76 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 93 S 9.10 4.22 0.00 3.98 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 94 T 8.07 4.08 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 1.19 0.00 0.00 95 D 7.76 4.61 0.00 2.85 2.57 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 96 R 7.91 3.83 0.00 1.75 1.88 0.00 3.22 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 97 E 8.12 4.10 0.00 2.06 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 2.29 2.33 0.00 98 R 7.71 4.49 0.00 1.93 1.92 0.00 3.13 0.00 0.00 3.09 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 99 I 7.39 3.73 1.79 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 1.60 1.58 0.19 0.00 0.00 100 S 8.06 4.51 0.00 4.25 4.40 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 0.00 101 V 7.70 3.58 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 1.09 0.00 0.00 0.96 0.00 0.00 102 T 7.92 3.88 4.44 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 1.23 0.00 0.00 103 R 8.41 3.99 0.00 2.17 2.25 0.00 2.83 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 104 E 8.28 4.04 0.00 2.28 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 2.36 2.55 0.00 105 E 8.43 4.03 0.00 2.01 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 2.57 2.50 0.00 106 L 8.26 3.81 0.00 1.68 1.70 0.67 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.94 3.94 0.00 3.09 2.99 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 0.00 108 K 8.00 4.03 0.00 1.88 2.12 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.52 7.81 109 M 8.19 4.17 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 110 L 7.87 3.97 0.00 1.76 1.70 0.44 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.79 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 0.00 112 H 7.82 4.18 0.00 3.41 3.52 0.00 5.82 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.98 4.04 0.00 2.15 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 0.00 2.40 1.87 0.00 114 D 8.13 4.62 0.00 2.83 2.84 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 0.00 115 L 7.66 4.61 0.00 1.81 1.58 0.20 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.77 3.96 0.00 1.84 1.98 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 117 K 7.87 4.22 0.00 1.70 1.79 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.41 7.81 118 A 7.54 4.25 1.26 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 0.00 0.00 0.00 119 G 8.63 4.05 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 0.00 0.00 0.00 120 L 9.38 5.24 0.00 1.80 1.84 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 121 L 9.05 4.83 0.00 1.84 1.50 0.52 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.64 4.71 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.57 0.89 0.00 0.00 123 F 9.00 5.16 0.00 3.01 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 0.00 124 A 9.12 4.52 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 125 N 9.47 4.87 0.00 2.84 2.81 0.00 0.00 7.11 6.53 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 0.00 126 K 8.44 4.51 0.00 2.01 1.87 0.00 2.18 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.39 7.81 127 Q 7.91 4.29 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.02 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 128 D 7.94 4.45 0.00 2.82 2.91 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 0.00 0.00 0.00 129 V 7.57 3.92 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 0.90 0.00 0.00 0.92 0.00 0.00 130 K 8.58 3.97 0.00 2.01 1.68 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.42 1.00 7.81 131 E 8.96 3.85 0.00 2.20 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 2.11 1.85 0.00 132 C 7.40 4.56 0.00 3.04 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 0.00 133 M 8.68 4.49 0.00 1.86 2.07 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 2.57 2.42 0.00 134 T 9.02 4.26 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 1.22 0.00 0.00 135 V 8.54 3.65 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 0.97 0.00 0.00 0.95 0.00 0.00 136 A 7.95 4.02 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 0.00 137 E 8.26 3.95 0.00 2.23 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 2.35 2.37 0.00 138 I 7.87 3.73 2.03 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 1.39 0.73 0.94 0.00 0.00 139 S 8.33 4.03 0.00 3.94 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 0.00 140 Q 8.36 3.92 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 141 F 8.38 4.06 0.00 3.11 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 0.00 142 L 8.39 4.23 0.00 1.56 1.65 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.88 3.81 0.00 1.85 1.74 0.00 1.37 0.00 0.00 1.45 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.36 7.81 144 L 7.64 3.35 0.00 0.75 0.13 0.63 0.23 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 0.00 145 T 7.74 4.47 4.40 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 1.52 0.00 0.00 146 S 7.73 4.58 0.00 3.99 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 0.00 147 I 7.68 3.98 1.87 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.47 1.10 0.00 0.00 148 K 8.81 4.52 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.40 7.81 149 D 8.21 4.93 0.00 2.92 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 0.00 150 H 7.92 5.05 0.00 3.17 3.29 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.82 4.57 0.00 2.21 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.34 0.00 152 W 8.54 5.77 0.00 3.26 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 0.00 153 H 8.43 4.08 0.00 1.40 1.31 0.00 5.74 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.97 4.80 2.06 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 1.23 1.17 1.03 0.00 0.00 155 Q 8.97 4.49 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 156 A 8.75 4.75 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 157 C 8.84 4.92 0.00 3.05 3.12 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 0.00 0.00 0.00 0.00 158 C 8.84 4.78 0.00 2.97 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 0.00 159 A 8.83 3.98 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 0.00 160 L 7.94 4.16 0.00 1.63 1.73 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.98 4.38 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 1.21 0.00 0.00 162 G 8.50 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 0.00 163 E 7.69 4.12 0.00 1.97 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 2.33 2.28 0.00 164 G 8.92 4.39 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 0.00 165 L 7.97 4.09 0.00 1.87 1.98 0.75 -0.08 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 0.00 166 C 8.22 4.02 0.00 3.13 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 0.00 167 Q 8.27 4.15 0.00 2.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 168 G 8.20 3.80 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 0.00 0.00 0.00 169 L 8.19 3.74 0.00 1.74 1.46 0.62 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.57 3.92 0.00 2.11 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 2.54 2.46 0.00 171 W 8.01 3.94 0.00 3.03 3.24 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 0.00 172 M 7.97 3.55 0.00 1.10 1.77 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 1.73 0.00 173 M 7.92 4.07 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.82 0.00 174 S 7.62 4.15 0.00 3.89 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 0.00 175 R 6.95 4.18 0.00 1.34 1.89 0.00 2.59 0.00 0.00 2.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.38 0.00 176 L 7.45 4.26 0.00 1.64 1.57 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.