NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3784 8.3344 115.4144 57.5014 65.1021 173.3018 3 L 3.9567 7.8060 124.3742 54.1103 42.2539 173.1815 4 E 4.2081 9.3815 126.9879 55.9494 31.0902 176.2742 5 R 4.2213 8.3331 120.2598 56.2106 31.4065 176.1033 6 L 4.1346 9.1009 123.7241 55.4048 43.2784 176.1086 7 R 4.6979 9.6770 126.9342 55.3913 31.1443 175.5100 8 V 4.4594 9.2071 126.0220 61.2080 33.2794 174.6042 9 A 5.3237 8.6181 129.2288 50.5409 21.8176 174.9759 10 A 4.9338 8.4482 121.5628 50.1883 21.5818 174.8020 11 Y 4.9442 8.8726 125.0161 56.4789 40.1432 174.7041 12 C 4.8092 8.4194 123.8823 57.8728 32.5985 173.2346 13 R 4.7701 8.6144 121.9124 55.5281 30.6808 176.2593 14 V 4.6725 9.0126 117.8543 59.7182 34.5208 174.6733 15 S 5.0938 8.8286 118.0566 57.0228 64.1989 174.9439 16 T 4.1547 8.5691 115.3789 62.6401 69.6599 174.2807 17 D 4.2470 7.6541 122.8499 56.2685 40.5611 175.0486 18 S 4.6876 8.6084 129.4272 58.3139 61.5042 168.9357 19 E 4.3706 9.0139 119.4134 57.0095 30.1753 176.3456 20 D 4.8706 7.8022 119.3506 53.5283 41.6398 176.8840 21 Q 4.0875 8.1151 118.8756 58.4263 29.3528 179.0833 22 L 4.0101 7.9586 116.8875 57.1133 41.8878 177.3477 23 N 4.8003 8.2514 115.4862 52.9057 39.0216 175.1622 24 S 4.8403 7.8775 116.4878 57.5291 64.9830 174.2814 25 Y 4.0726 8.7196 124.0545 61.0580 38.4545 178.9179 26 K 3.9413 8.1741 118.9767 60.0653 32.7292 178.9657 27 S 4.1171 8.1484 116.3797 61.4713 62.7625 176.7663 28 Q 4.0125 7.9813 120.4767 58.9697 28.4274 178.8353 29 V 3.5132 7.7247 119.4632 66.0874 31.4473 177.8488 30 Q 3.9028 8.0444 119.0940 59.2211 28.7004 177.3947 31 Y 3.8243 7.8453 119.3089 61.1602 38.9062 177.6362 32 Y 4.0849 7.9053 115.9158 60.8791 38.2905 177.8138 33 T 4.1039 8.3244 117.3768 66.7724 68.5606 177.0679 34 D 4.2400 7.7982 117.1946 55.1731 40.6858 178.3311 *36 I 4.2942 7.7578 122.9823 61.2914 39.1906 177.9691 37 K 3.9407 8.0107 120.6864 59.2040 32.0417 178.1169 38 K 3.8718 7.6542 116.7675 57.9383 32.2088 176.1202 39 N 4.4944 7.6122 117.4799 50.9190 39.7905 174.8458 40 K 4.0733 8.4372 125.7775 59.2823 33.1118 177.4681 41 E 4.5030 8.3513 118.4180 56.5113 30.3314 175.8616 42 W 5.6493 8.1798 119.8814 54.9804 32.2766 175.6363 43 V 4.6097 8.7449 120.9141 59.6152 34.6923 174.2695 44 L 4.1398 8.7445 125.5224 55.9086 41.8543 176.0358 45 A 4.2614 9.5481 131.0552 53.5184 18.3674 176.6702 46 D 4.4633 7.6685 110.5701 53.1411 45.3252 173.5416 47 I 4.5492 8.0371 122.5451 60.5728 38.4566 175.0082 48 Y 4.9027 9.4754 124.8532 56.1683 40.3783 174.7370 49 A 4.9802 9.6085 126.3257 50.3443 22.2922 174.6686 50 D 5.0428 8.7445 122.6689 52.0596 44.1311 175.6302 51 E 4.6181 8.7854 123.8835 56.5970 30.8021 175.2124 52 A 5.0817 8.7816 126.9423 50.8709 22.9599 175.4170 53 I 4.2354 8.6416 121.3748 60.2937 38.7531 176.1427 54 T 3.8822 8.5279 124.2689 64.8896 68.8627 174.5930 55 G 3.9290 9.2569 113.3956 45.9812 0.0000 172.5376 56 T 4.7177 7.4942 108.3539 60.2188 71.9323 173.3733 57 Q 4.3794 8.4727 117.6400 55.7470 28.9067 176.0575 58 V 3.9751 8.1706 120.8501 62.9002 31.9496 174.8367 59 T 5.1177 8.1088 121.5795 60.5220 70.3480 173.3846 60 K 4.5318 9.0163 127.7831 56.3712 33.1245 177.1270 61 R 4.7447 8.3196 114.8268 55.0164 31.0083 177.1364 62 E 4.0010 8.4552 119.3901 60.1496 29.2264 178.7343 63 D 4.5284 8.8244 117.9025 56.9896 40.9588 178.1842 64 F 3.9082 8.6102 120.6952 61.4131 39.5226 176.8794 65 Q 4.1425 8.3200 117.5204 58.8225 28.3840 179.2002 66 R 3.9789 8.0429 116.7097 57.4542 30.3124 177.9097 *68 I 3.8113 7.6716 119.1003 60.9753 39.0953 177.5888 69 N 4.4091 8.3028 116.4855 56.5375 38.7544 176.3055 70 D 4.4927 8.3574 118.1022 57.6867 41.3073 179.0095 71 C 4.0579 7.5290 111.8537 60.8495 27.2600 174.6939 *73 N 4.5155 8.1832 115.2663 52.5479 39.6446 175.2254 74 G 3.9058 8.0916 105.8535 45.9620 0.0000 174.5623 75 E 4.3319 8.1251 118.2891 56.9162 30.0255 176.5192 76 I 4.6795 7.3390 118.9240 59.7565 40.1928 174.9276 77 D 4.5142 9.2798 125.7651 54.8767 42.4743 176.1625 *79 V 4.1503 7.5412 119.0123 62.7599 32.9306 173.9898 80 F 5.0026 9.3465 127.0683 56.9040 41.0072 174.8421 81 T 5.0971 8.6861 115.6564 60.7168 70.8939 174.1734 82 K 4.1120 9.1964 129.0290 59.5346 33.3555 176.4187 83 S 5.4902 8.1298 110.5389 57.9426 65.1556 174.8979 84 I 3.4788 8.3726 127.2492 64.6793 36.8242 177.5830 85 S 4.4507 7.8891 111.3004 59.4875 63.1469 174.5972 86 R 4.8869 8.1304 119.8684 55.9435 32.4458 175.3962 87 F 4.7630 8.9383 118.9457 58.3935 39.6096 177.2782 88 A 3.5644 9.3794 119.7080 51.7846 19.6106 178.6971 89 R 4.2530 7.9674 117.0201 57.3063 30.8892 176.5187 90 N 4.7297 7.4221 114.5226 51.0671 41.0518 175.2656 91 T 3.8384 8.2821 116.4940 66.8952 68.4501 176.8723 92 L 4.0115 7.8949 120.3239 57.9204 41.6114 179.2103 93 D 4.3425 8.6629 118.9868 57.3509 40.6319 178.8430 94 T 4.1106 8.2986 116.6944 66.7317 68.5322 176.3035 95 L 3.9882 7.9664 120.6897 57.8205 41.4801 179.3693 96 K 3.7254 7.8175 117.7376 60.0023 32.1586 178.0773 97 Y 4.3191 7.7847 115.6691 60.9309 38.0516 178.2202 98 V 3.9503 8.3979 119.5425 65.9951 31.6177 179.3311 99 R 4.2329 8.0106 115.9199 56.5301 29.7453 178.6665 *101 L 4.2322 7.9043 120.6697 54.7631 43.7897 179.2173 102 K 3.9116 8.3321 119.8106 59.3213 32.2865 178.3489 103 E 3.8873 8.2723 118.8948 58.8591 29.5781 177.3733 104 R 4.3487 7.8871 114.9825 55.1060 30.4332 175.5834 105 N 4.1028 7.9226 114.6560 54.4441 36.6625 174.4533 106 I 4.5271 7.8446 118.0542 59.6194 38.7082 176.5934 107 A 4.2611 8.0579 128.6013 51.4001 19.5758 176.4893 108 V 4.0611 8.4892 121.5857 61.0522 34.1414 173.8903 109 Y 4.5963 8.1172 129.3396 55.6915 40.7124 174.7188 110 F 4.5793 8.2930 127.8244 56.8251 39.0152 176.9265 111 E 4.0886 9.4537 125.6148 59.6025 29.7049 179.7141 112 D 4.4198 8.6742 117.8828 57.3371 41.2505 177.6107 113 E 4.0639 8.1821 117.0546 56.4986 30.3394 176.2420 114 K 4.2050 7.1748 116.2696 56.8296 29.9962 175.9990 115 I 4.3875 7.2748 118.8827 59.4338 40.0424 174.8375 116 N 5.2118 8.7066 124.6795 52.1576 39.8971 175.5707 117 T 4.1197 8.7708 116.5341 63.5826 69.0730 175.5068 118 L 4.6547 8.1094 121.4400 55.0033 44.0576 176.6393 119 T 4.0990 8.1955 109.9654 62.2656 67.5349 176.4100 *121 D 4.5817 9.3367 120.8853 54.0263 43.5867 177.7910 122 G 3.7688 7.5620 106.3360 47.2883 0.0000 175.6289 123 E 4.0104 8.2828 120.9946 58.9745 29.3833 179.2098 124 L 3.8984 7.8452 119.9113 57.9603 42.1963 178.2931 125 L 3.8875 8.2624 120.7335 58.4315 41.9151 179.0434 126 L 3.9812 7.9207 118.5521 57.9131 41.5746 179.9699 127 V 3.6107 7.7616 112.3335 64.3397 31.3747 178.8714 128 V 3.5823 8.0093 118.1035 65.9485 31.3199 178.0956 129 L 3.9483 8.1227 118.9324 57.9113 41.3687 179.5308 130 S 4.1085 8.2296 115.1337 61.8478 62.7683 177.0777 131 S 4.0889 8.1666 117.6447 61.4713 62.6796 176.8278 132 V 3.5297 8.0680 120.9561 65.9406 31.3791 177.9053 133 A 3.9612 8.2043 120.6337 55.2051 18.2708 179.3294 134 Q 3.8757 8.3088 118.3251 59.4308 28.9950 178.0560 135 Q 3.9770 8.6531 120.8239 59.4071 28.7044 178.6139 136 E 3.9605 7.8657 118.2283 59.4296 29.6425 179.0002 137 V 3.7148 7.4166 116.6085 65.9907 31.6669 177.3118 138 E 4.2842 8.1428 115.8388 57.2210 29.6816 176.3015 139 N 4.5984 7.7072 121.2784 53.2568 39.1704 174.0984 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 S 8.33 4.38 0.00 4.00 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 3 L 7.81 3.96 0.00 1.70 1.64 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.38 4.21 0.00 2.01 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 2.33 2.34 0.00 5 R 8.33 4.22 0.00 1.75 2.08 0.00 3.43 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 6 L 9.10 4.13 0.00 1.77 1.41 0.83 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.68 4.70 0.00 1.84 1.87 0.00 3.16 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 8 V 9.21 4.46 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 1.01 0.00 0.00 0.51 0.00 0.00 9 A 8.62 5.32 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.45 4.93 0.31 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 11 Y 8.87 4.94 0.00 3.10 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.42 4.81 0.00 2.70 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 13 R 8.61 4.77 0.00 1.76 1.93 0.00 3.29 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 14 V 9.01 4.67 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 0.76 0.00 0.00 1.06 0.00 0.00 15 S 8.83 5.09 0.00 3.90 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 16 T 8.57 4.15 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 1.28 0.00 0.00 17 D 7.65 4.25 0.00 2.79 2.62 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 18 S 8.61 4.69 0.00 4.11 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 19 E 9.01 4.37 0.00 2.33 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 2.41 2.39 0.00 20 D 7.80 4.87 0.00 2.64 2.75 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 21 Q 8.12 4.09 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 22 L 7.96 4.01 0.00 1.63 1.72 0.92 1.00 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 23 N 8.25 4.80 0.00 3.03 2.83 0.00 0.00 6.58 7.49 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 24 S 7.88 4.84 0.00 4.11 4.08 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 0.00 0.00 0.00 0.00 25 Y 8.72 4.07 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.17 3.94 0.00 2.07 2.17 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.56 7.81 27 S 8.15 4.12 0.00 4.09 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 28 Q 7.98 4.01 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 29 V 7.72 3.51 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 1.01 0.00 0.00 0.30 0.00 0.00 30 Q 8.04 3.90 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 31 Y 7.85 3.82 0.00 2.84 2.83 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 32 Y 7.91 4.08 0.00 3.10 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 33 T 8.32 4.10 4.36 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 1.20 0.00 0.00 34 D 7.80 4.24 0.00 2.59 2.48 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 0.00 0.00 0.00 0.00 *36 I 7.76 4.29 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 1.07 0.00 0.00 37 K 8.01 3.94 0.00 1.79 1.93 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.41 7.81 38 K 7.65 3.87 0.00 1.58 1.67 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.35 1.44 7.81 39 N 7.61 4.49 0.00 1.73 1.72 0.00 0.00 6.77 5.75 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 40 K 8.44 4.07 0.00 1.87 1.87 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 41 E 8.35 4.50 0.00 2.16 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 0.00 2.32 2.27 0.00 42 W 8.18 5.65 0.00 3.31 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 43 V 8.74 4.61 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 0.84 0.00 0.00 0.97 0.00 0.00 44 L 8.74 4.14 0.00 1.69 1.66 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 45 A 9.55 4.26 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 46 D 7.67 4.46 0.00 2.60 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 47 I 8.04 4.55 1.84 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 1.29 0.84 0.79 0.00 0.00 48 Y 9.48 4.90 0.00 3.07 3.17 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 49 A 9.61 4.98 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 50 D 8.74 5.04 0.00 2.75 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 51 E 8.79 4.62 0.00 2.06 1.83 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 2.39 2.34 0.00 52 A 8.78 5.08 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 53 I 8.64 4.24 1.88 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 1.24 0.70 0.92 0.00 0.00 54 T 8.53 3.88 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 55 G 9.26 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.49 4.72 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 1.31 0.00 0.00 57 Q 8.47 4.38 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.11 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 58 V 8.17 3.98 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 0.99 0.00 0.00 0.93 0.00 0.00 59 T 8.11 5.12 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 1.20 0.00 0.00 60 K 9.02 4.53 0.00 1.70 1.97 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.41 7.81 61 R 8.32 4.74 0.00 1.65 2.00 0.00 2.76 0.00 0.00 3.08 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 62 E 8.46 4.00 0.00 2.12 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 2.43 2.50 0.00 63 D 8.82 4.53 0.00 3.06 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 64 F 8.61 3.91 0.00 2.86 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 65 Q 8.32 4.14 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 66 R 8.04 3.98 0.00 2.06 2.28 0.00 3.21 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 1.94 1.80 0.00 *68 I 7.67 3.81 1.68 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.60 0.96 0.00 0.00 69 N 8.30 4.41 0.00 2.82 2.89 0.00 0.00 7.13 8.15 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 70 D 8.36 4.49 0.00 2.63 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 71 C 7.53 4.06 0.00 3.12 2.86 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 *73 N 8.18 4.52 0.00 2.92 2.90 0.00 0.00 7.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.09 3.91 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 0.00 0.00 0.00 75 E 8.13 4.33 0.00 2.12 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 2.32 2.28 0.00 76 I 7.34 4.68 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.84 0.00 0.00 77 D 9.28 4.51 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 V 7.54 4.15 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 1.06 0.00 0.00 0.81 0.00 0.00 80 F 9.35 5.00 0.00 3.04 3.45 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 81 T 8.69 5.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 82 K 9.20 4.11 0.00 2.00 1.93 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.73 1.48 7.81 83 S 8.13 5.49 0.00 4.09 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 84 I 8.37 3.48 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.31 0.73 0.00 0.00 85 S 7.89 4.45 0.00 4.04 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 86 R 8.13 4.89 0.00 1.99 2.09 0.00 3.33 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 87 F 8.94 4.76 0.00 3.33 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 88 A 9.38 3.56 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 89 R 7.97 4.25 0.00 1.70 1.92 0.00 3.18 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.37 0.00 90 N 7.42 4.73 0.00 2.93 2.87 0.00 0.00 6.27 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 91 T 8.28 3.84 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 92 L 7.89 4.01 0.00 1.67 1.69 0.90 1.08 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 93 D 8.66 4.34 0.00 2.99 2.83 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 94 T 8.30 4.11 4.43 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 1.31 0.00 0.00 95 L 7.97 3.99 0.00 1.88 1.72 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.82 3.73 0.00 1.54 1.62 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.42 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.60 1.18 7.81 97 Y 7.78 4.32 0.00 3.40 3.19 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 98 V 8.40 3.95 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 1.21 0.00 0.00 1.26 0.00 0.00 99 R 8.01 4.23 0.00 2.09 1.91 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 *101 L 7.90 4.23 0.00 2.04 1.94 0.99 0.82 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 0.00 102 K 8.33 3.91 0.00 1.85 2.03 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.38 7.81 103 E 8.27 3.89 0.00 2.08 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 2.32 2.42 0.00 104 R 7.89 4.35 0.00 1.95 1.91 0.00 3.56 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 105 N 7.92 4.10 0.00 2.79 2.84 0.00 0.00 6.80 7.73 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 0.00 106 I 7.84 4.53 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.82 0.00 0.00 107 A 8.06 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.49 4.06 1.53 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 -0.45 0.00 0.00 0.71 0.00 0.00 109 Y 8.12 4.60 0.00 2.48 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 0.00 0.00 0.00 110 F 8.29 4.58 0.00 2.79 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 0.00 111 E 9.45 4.09 0.00 2.32 2.22 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 2.96 2.82 0.00 112 D 8.67 4.42 0.00 2.69 2.75 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 0.00 113 E 8.18 4.06 0.00 2.01 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 2.26 2.33 0.00 114 K 7.17 4.21 0.00 1.95 2.00 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.41 7.81 115 I 7.27 4.39 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 1.01 0.00 0.00 116 N 8.71 5.21 0.00 3.02 2.80 0.00 0.00 6.93 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 0.00 117 T 8.77 4.12 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 1.34 0.00 0.00 118 L 8.11 4.65 0.00 1.76 1.73 0.89 0.64 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 0.00 119 T 8.20 4.10 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 1.31 0.00 0.00 *121 D 9.34 4.58 0.00 2.79 2.82 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 0.00 122 G 7.56 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.28 4.01 0.00 2.05 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 2.34 2.48 0.00 124 L 7.85 3.90 0.00 1.71 1.83 0.92 0.52 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 0.00 125 L 8.26 3.89 0.00 1.72 1.85 0.76 0.58 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 0.00 126 L 7.92 3.98 0.00 1.89 1.71 0.94 1.02 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 0.00 127 V 7.76 3.61 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 0.94 0.00 0.00 0.93 0.00 0.00 128 V 8.01 3.58 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 1.09 0.00 0.00 0.97 0.00 0.00 129 L 8.12 3.95 0.00 1.71 1.69 0.90 1.04 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 0.00 130 S 8.23 4.11 0.00 4.00 3.91 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 0.00 131 S 8.17 4.09 0.00 4.03 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 0.00 132 V 8.07 3.53 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 0.99 0.00 0.00 0.97 0.00 0.00 133 A 8.20 3.96 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 0.00 134 Q 8.31 3.88 0.00 2.16 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 135 Q 8.65 3.98 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 136 E 7.87 3.96 0.00 2.15 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 2.33 2.52 0.00 137 V 7.42 3.71 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 0.82 0.00 0.00 0.96 0.00 0.00 138 E 8.14 4.28 0.00 1.99 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 2.31 2.46 0.00 139 N 7.71 4.60 0.00 2.76 2.66 0.00 0.00 6.81 7.46 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 * Residues marked with a * may have inaccurate shift predictions.