NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6260 8.3649 120.5317 53.9013 42.3052 175.0457 3 N 4.4460 8.4295 119.5224 50.7066 39.6648 173.0782 4 P 4.4354 0.0000 0.0000 66.0201 33.3531 175.9972 5 V 4.1098 7.6920 120.0435 61.5682 32.4885 174.3561 6 N 4.8753 8.9100 126.6147 51.7044 41.7217 173.0323 7 I 4.2507 8.3153 127.5863 60.6949 37.6891 175.9639 8 L 4.5226 8.2948 127.6709 54.3881 42.7579 176.7748 9 N 4.6789 8.9530 121.9389 51.9618 39.3169 176.2332 10 E 3.9112 8.6281 116.5595 61.8125 29.4029 176.2348 11 Q 4.1337 8.0386 119.3726 59.0985 29.0819 178.5977 12 E 3.8243 8.7366 119.3183 59.3522 29.5454 179.0204 13 A 3.8682 8.0716 120.9282 55.1026 18.4207 179.4853 14 L 3.9206 8.3381 121.4580 58.8854 41.9879 179.4791 15 E 3.9475 8.2360 117.3766 61.2123 29.9036 180.7547 16 R 3.6592 7.7093 119.1601 58.9369 29.8167 179.0308 17 L 4.3937 7.6470 118.5595 58.2156 41.4598 179.4943 18 Q 4.0988 8.1426 118.3034 58.4961 29.0576 177.5489 19 S 4.4870 7.9504 113.4831 58.6656 63.7805 174.1548 20 V 4.6807 7.1780 115.3709 59.7264 35.0528 175.1776 21 S 4.1011 8.4904 115.2570 58.8872 65.2017 173.4391 22 L 4.9762 8.0824 122.4468 54.2529 43.2450 176.0574 23 G 4.0951 9.3657 112.2341 45.6069 0.0000 171.0407 24 R 5.0164 7.9674 117.0888 54.4226 35.0515 174.6653 25 V 4.5567 7.9400 121.9303 60.8962 34.7191 174.2861 26 V 4.4266 8.7119 127.6803 61.3354 33.3453 175.0425 27 V 4.6375 8.2405 121.4118 60.2374 33.9028 175.5291 28 R 4.8823 8.1650 121.1528 55.1834 34.0348 174.0776 29 R 4.6750 8.9715 125.7255 55.7941 34.1885 175.4842 30 S 3.6381 8.7794 121.5532 59.9285 62.0554 171.9623 31 D 4.8847 9.2239 113.1717 53.8471 41.2424 175.0480 32 E 4.4533 8.1258 119.9910 54.7241 31.9072 174.2680 *34 D 4.7078 8.0666 118.6543 54.3646 42.8406 173.6789 35 I 5.0936 8.2705 122.3720 59.1376 41.2156 174.3676 36 F 5.1813 8.0339 122.9951 54.4468 41.4160 172.1200 37 P 4.8757 0.0000 0.0000 63.1193 32.2333 175.8659 38 V 4.4830 8.7297 114.4419 59.8190 36.3218 173.9744 39 N 5.4738 8.6278 121.0026 52.1140 39.8319 174.2371 40 F 5.3999 8.9634 118.1434 55.3152 42.0217 173.8002 41 I 4.4903 8.6684 117.9340 59.5154 41.3465 173.7779 42 V 4.6794 8.5315 129.1431 62.3793 32.9830 174.9216 43 D 4.3857 9.7726 127.5171 55.0893 44.3936 176.0910 44 K 3.6316 9.6991 128.6315 55.8296 29.0273 172.7027 45 G 3.9716 8.6728 105.0500 46.4336 0.0000 173.7762 46 A 4.7736 7.8458 120.7571 49.8338 22.7525 175.6615 47 I 4.6849 8.4315 121.5760 60.0519 39.3090 174.3715 48 Y 5.1216 9.2471 125.4169 56.3217 40.5598 174.9968 49 I 5.0368 8.9626 123.7672 59.5599 41.6406 174.1066 50 R 4.8429 8.7342 125.8779 54.9706 31.6332 175.0514 51 T 4.6020 8.9388 120.7148 60.4131 70.2308 174.5461 52 A 4.0132 8.7903 131.5453 55.5152 19.2609 179.6054 53 E 4.4451 7.8804 115.6909 56.3889 29.3162 179.4078 54 G 3.6412 8.0709 110.5846 48.6579 0.0000 175.4153 55 N 4.3960 8.0037 120.4235 56.8593 38.0260 178.6223 56 K 4.2408 7.8865 121.4624 59.4528 32.2649 178.6044 57 L 4.0112 7.8290 121.5964 58.5157 42.1241 178.7675 *58 F 4.4473 7.8438 117.4269 58.9821 39.5889 178.5390 59 S 4.8000 7.3780 114.3770 57.9668 61.7701 174.0063 *61 N 4.6187 7.7527 117.2529 52.6791 40.3230 175.3528 62 L 4.3069 7.8886 117.1502 54.4356 42.4797 177.1871 63 N 4.6004 9.1470 120.5596 53.6078 39.3422 175.3920 64 H 4.3481 8.8586 118.3486 58.9385 30.1338 175.4071 65 D 5.0946 8.1074 118.3302 54.2413 41.2894 176.5353 66 V 4.6985 9.3626 116.3409 59.5428 36.5656 174.2486 67 L 5.0391 8.3836 121.8877 53.1761 44.0438 175.4270 68 F 5.1175 9.4601 125.7936 56.3026 42.0210 173.5816 69 E 5.1597 8.2164 126.0841 54.5603 33.3512 174.0470 70 A 4.9449 8.4889 124.3513 51.1324 23.1517 174.8314 71 D 4.0520 8.1151 118.3926 52.7077 42.5379 173.8380 72 E 4.3755 7.4383 117.9854 55.0730 33.5874 174.3940 73 V 4.4489 8.1564 124.1912 61.0003 33.1957 174.7068 74 K 4.4563 8.7140 128.2246 56.0950 35.7331 175.5317 75 D 4.3817 9.3303 125.0539 56.4604 38.0310 173.6013 76 G 4.1202 8.0001 102.0228 45.9513 0.0000 171.5062 77 K 5.2179 7.8910 119.2552 54.2302 35.7459 174.8987 78 A 5.4908 9.4047 127.8446 50.0233 22.7196 174.8951 79 W 6.0529 8.6662 117.2142 55.1597 32.5248 174.1190 80 S 5.2506 9.5371 114.6717 57.0233 66.6675 172.9476 81 V 5.0015 9.2690 122.0299 61.2650 34.8270 174.0176 82 V 4.8106 9.0499 128.1325 61.1703 34.0042 174.0992 83 V 4.8318 9.3508 128.4451 61.2348 34.3700 174.3650 84 R 5.0253 8.9860 126.8472 54.7408 31.8114 175.1961 85 A 5.1013 9.0313 125.1408 50.6313 23.7499 174.2489 86 T 4.8964 8.5093 115.4425 61.9569 70.4920 174.2647 87 A 4.9968 9.0166 129.5815 51.2179 20.2841 176.3722 88 E 4.7405 8.8694 118.2166 54.8739 33.4476 174.5077 89 I 4.4134 8.3697 123.8661 61.0624 38.2858 175.7357 90 V 3.8578 8.7812 127.8344 63.1386 31.1231 175.4194 91 R 4.4132 8.7086 126.8286 57.9730 31.7322 178.2466 92 K 3.9783 7.9518 117.0452 56.7041 33.6022 177.7114 93 L 4.0624 8.6012 124.9518 58.0616 42.1268 179.0395 94 D 4.3591 8.0557 118.8700 56.6041 39.5426 178.2307 95 E 4.1078 7.9858 120.2319 59.0260 29.4728 179.5370 96 I 3.8396 7.8802 119.2548 64.2737 37.0124 178.0426 97 A 4.0362 7.7358 120.3150 55.5191 18.5125 178.6370 98 Y 4.2745 8.0847 117.5076 61.0178 38.7592 178.2555 99 A 3.2006 7.8052 121.4172 54.9565 17.9801 179.2911 100 D 4.5553 8.0092 117.8953 56.8227 40.8754 178.6765 101 T 3.9271 7.4316 110.0403 63.5163 69.1598 175.3001 102 L 3.8596 6.7474 123.9060 54.9871 42.0501 178.3772 103 E 4.1381 8.3818 119.5113 54.7271 27.9605 172.3982 104 L 4.5518 8.1375 127.0235 53.4660 43.3757 177.0412 105 K 4.4806 8.2303 129.1560 51.5951 31.7336 170.8893 106 P 4.5376 0.0000 0.0000 61.4805 32.3064 177.4625 107 W 4.5488 8.7260 119.6598 59.5031 29.0304 176.4241 108 I 4.5031 7.5624 118.4726 58.6085 38.2816 172.9309 109 P 4.4751 0.0000 0.0000 62.2205 32.2219 175.8743 110 T 4.6487 7.9653 109.6692 59.5776 71.6191 174.3389 111 L 4.1108 8.7451 125.6569 58.2897 42.3181 177.5501 112 K 4.3642 7.7840 118.7577 53.2834 32.9358 176.5034 113 Y 5.0150 7.2160 120.1085 55.6935 41.0650 173.0841 114 N 5.1311 9.1237 115.6636 51.8482 43.1874 173.3391 115 Y 5.2028 8.6029 118.4940 56.7217 40.6509 174.5809 116 V 4.6761 9.1019 123.8251 61.1467 34.4421 174.0202 117 R 4.4319 9.0010 128.8660 54.6961 32.0015 174.6103 118 I 4.6156 8.9058 128.7133 59.8012 39.2938 175.0609 119 V 4.3479 8.4599 129.1907 60.4390 32.4958 173.4391 120 P 4.7266 0.0000 0.0000 63.3864 31.4670 175.5196 121 N 4.8091 9.3979 120.7006 54.3846 40.4614 174.8831 122 E 4.6855 8.0025 118.5979 54.2937 32.9961 173.7956 123 I 4.7911 8.4973 126.9890 59.8438 39.9541 175.2099 124 T 4.4971 9.0999 122.8176 62.0128 72.0244 173.1713 125 G 4.6155 8.6558 113.4278 44.6948 0.0000 171.2622 126 R 5.1109 8.7997 118.8632 54.5181 35.3659 173.7657 127 E 5.2966 8.8613 122.8260 54.4500 33.2089 174.3702 128 F 5.3385 9.9162 125.3750 56.0480 42.7413 174.0686 129 T 4.6952 8.7338 120.7559 62.5744 69.2223 175.0228 130 L 4.4977 8.6300 127.6097 53.0900 43.8254 177.3901 131 G 4.0441 7.8513 106.6080 44.7171 0.0000 172.7265 132 E 3.6207 8.6556 121.7174 56.3389 29.1839 175.8789 133 E 4.1452 8.6475 113.8343 56.8142 29.7319 170.9697 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 D 8.36 4.63 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.43 4.45 0.00 2.84 2.74 0.00 0.00 6.98 7.13 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 4 P 0.00 4.44 0.00 2.19 2.35 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 5 V 7.69 4.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.05 0.00 0.00 6 N 8.91 4.88 0.00 2.72 2.51 0.00 0.00 6.85 7.72 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 7 I 8.32 4.25 1.83 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 0.60 0.89 0.00 0.00 8 L 8.29 4.52 0.00 1.57 1.55 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.95 4.68 0.00 2.94 2.94 0.00 0.00 7.29 7.28 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 10 E 8.63 3.91 0.00 1.99 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 2.32 1.96 0.00 11 Q 8.04 4.13 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 12 E 8.74 3.82 0.00 2.18 1.89 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 2.27 2.38 0.00 13 A 8.07 3.87 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 14 L 8.34 3.92 0.00 1.94 1.73 0.91 1.06 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 15 E 8.24 3.95 0.00 2.06 1.87 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 2.26 2.24 0.00 16 R 7.71 3.66 0.00 1.28 0.66 0.00 2.79 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 17 L 7.65 4.39 0.00 2.03 2.09 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.14 4.10 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 19 S 7.95 4.49 0.00 4.16 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 20 V 7.18 4.68 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 1.06 0.00 0.00 1.46 0.00 0.00 21 S 8.49 4.10 0.00 3.78 4.01 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 22 L 8.08 4.98 0.00 1.83 1.75 1.06 1.21 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 23 G 9.37 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.97 5.02 0.00 1.40 1.51 0.00 3.06 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 25 V 7.94 4.56 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 0.81 0.00 0.00 0.99 0.00 0.00 26 V 8.71 4.43 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 0.91 0.00 0.00 0.79 0.00 0.00 27 V 8.24 4.64 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 0.84 0.00 0.00 1.09 0.00 0.00 28 R 8.16 4.88 0.00 1.83 1.70 0.00 3.15 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 29 R 8.97 4.68 0.00 1.82 1.72 0.00 3.31 0.00 0.00 3.10 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 30 S 8.78 3.64 0.00 4.03 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 31 D 9.22 4.88 0.00 2.65 2.63 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 32 E 8.13 4.45 0.00 2.15 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 2.22 0.00 *34 D 8.07 4.71 0.00 2.90 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 35 I 8.27 5.09 1.79 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 1.28 1.02 0.90 0.00 0.00 36 F 8.03 5.18 0.00 3.12 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 37 P 0.00 4.88 0.00 1.67 2.09 0.00 3.82 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.11 0.00 38 V 8.73 4.48 2.23 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 0.95 0.00 0.00 1.11 0.00 0.00 39 N 8.63 5.47 0.00 2.54 2.73 0.00 0.00 6.73 7.45 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 40 F 8.96 5.40 0.00 3.14 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 41 I 8.67 4.49 1.84 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 1.03 1.41 0.87 0.00 0.00 42 V 8.53 4.68 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 0.90 0.00 0.00 1.17 0.00 0.00 43 D 9.77 4.39 0.00 2.65 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 44 K 9.70 3.63 0.00 1.97 1.73 0.00 1.96 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 0.99 7.81 45 G 8.67 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.85 4.77 1.16 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 47 I 8.43 4.68 1.42 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.67 0.24 0.00 0.00 48 Y 9.25 5.12 0.00 3.02 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 49 I 8.96 5.04 2.00 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 1.50 0.87 1.03 0.00 0.00 50 R 8.73 4.84 0.00 1.79 1.74 0.00 2.69 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.89 0.00 51 T 8.94 4.60 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 1.24 0.00 0.00 52 A 8.79 4.01 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 53 E 7.88 4.45 0.00 2.00 1.87 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 2.39 1.94 0.00 54 G 8.07 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 55 N 8.00 4.40 0.00 2.84 2.75 0.00 0.00 6.59 7.44 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 56 K 7.89 4.24 0.00 1.78 1.93 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.46 7.81 57 L 7.83 4.01 0.00 1.81 1.65 0.76 0.52 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 *58 F 7.84 4.45 0.00 2.46 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 0.00 0.00 0.00 59 S 7.38 4.80 0.00 3.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 N 7.75 4.62 0.00 2.74 2.89 0.00 0.00 7.27 7.85 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 62 L 7.89 4.31 0.00 1.63 1.62 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 N 9.15 4.60 0.00 2.68 2.78 0.00 0.00 6.99 6.05 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 64 H 8.86 4.35 0.00 3.07 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.11 5.09 0.00 2.58 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 66 V 9.36 4.70 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 0.81 0.00 0.00 0.97 0.00 0.00 67 L 8.38 5.04 0.00 1.54 1.52 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.46 5.12 0.00 2.92 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 69 E 8.22 5.16 0.00 1.76 1.43 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 2.26 2.27 0.00 70 A 8.49 4.94 1.45 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 71 D 8.12 4.05 0.00 2.42 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 72 E 7.44 4.38 0.00 1.45 1.12 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 2.14 2.16 0.00 73 V 8.16 4.45 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 0.84 0.00 0.00 0.83 0.00 0.00 74 K 8.71 4.46 0.00 1.82 1.65 0.00 1.88 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.44 7.81 75 D 9.33 4.38 0.00 2.90 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 76 G 8.00 4.12 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 0.00 0.00 0.00 77 K 7.89 5.22 0.00 2.04 1.73 0.00 1.53 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.52 7.81 78 A 9.40 5.49 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 79 W 8.67 6.05 0.00 3.63 3.21 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 80 S 9.54 5.25 0.00 3.94 4.01 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 81 V 9.27 5.00 2.39 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 1.04 0.00 0.00 1.12 0.00 0.00 82 V 9.05 4.81 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 0.90 0.00 0.00 0.95 0.00 0.00 83 V 9.35 4.83 2.23 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 0.90 0.00 0.00 1.01 0.00 0.00 84 R 8.99 5.03 0.00 1.78 1.84 0.00 3.12 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 85 A 9.03 5.10 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 86 T 8.51 4.90 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 1.23 0.00 0.00 87 A 9.02 5.00 1.22 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 0.00 0.00 0.00 88 E 8.87 4.74 0.00 2.03 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 2.30 2.27 0.00 89 I 8.37 4.41 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.83 1.01 0.00 0.00 90 V 8.78 3.86 2.32 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 0.94 0.00 0.00 1.11 0.00 0.00 91 R 8.71 4.41 0.00 1.86 1.97 0.00 3.30 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 92 K 7.95 3.98 0.00 1.96 1.78 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.54 7.81 93 L 8.60 4.06 0.00 1.73 1.68 0.93 1.21 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 94 D 8.06 4.36 0.00 3.00 2.92 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 95 E 7.99 4.11 0.00 2.28 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 0.00 2.40 2.41 0.00 96 I 7.88 3.84 2.11 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 1.69 1.21 1.10 0.00 0.00 97 A 7.74 4.04 1.45 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 98 Y 8.08 4.27 0.00 3.00 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 99 A 7.81 3.20 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.01 4.56 0.00 2.92 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 0.00 101 T 7.43 3.93 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 1.29 0.00 0.00 102 L 6.75 3.86 0.00 1.44 1.41 -0.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.38 4.14 0.00 1.99 1.78 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 2.23 1.86 0.00 104 L 8.14 4.55 0.00 1.54 1.63 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.23 4.48 0.00 1.78 1.58 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.95 7.81 106 P 0.00 4.54 0.00 2.15 2.03 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 107 W 8.73 4.55 0.00 3.42 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 0.00 108 I 7.56 4.50 1.95 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 1.54 0.74 0.95 0.00 0.00 109 P 0.00 4.48 0.00 2.13 1.99 0.00 3.74 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 1.99 1.95 0.00 110 T 7.97 4.65 4.29 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 1.23 0.00 0.00 111 L 8.75 4.11 0.00 1.65 1.75 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.78 4.36 0.00 1.81 1.57 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 0.98 7.81 113 Y 7.22 5.01 0.00 2.87 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 0.00 114 N 9.12 5.13 0.00 2.69 2.71 0.00 0.00 7.37 7.09 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 0.00 115 Y 8.60 5.20 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 0.00 116 V 9.10 4.68 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 1.05 0.00 0.00 0.99 0.00 0.00 117 R 9.00 4.43 0.00 1.39 1.60 0.00 2.99 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.11 0.00 118 I 8.91 4.62 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.58 0.77 0.00 0.00 119 V 8.46 4.35 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 0.93 0.00 0.00 0.88 0.00 0.00 120 P 0.00 4.73 0.00 1.94 1.94 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 121 N 9.40 4.81 0.00 2.64 2.83 0.00 0.00 6.67 7.58 0.00 0.00 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 E 8.00 4.69 0.00 1.99 1.74 0.00 0.00 0.00 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 0.00 123 I 8.50 4.79 1.87 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 1.34 0.77 0.93 0.00 0.00 124 T 9.10 4.50 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 125 G 8.66 4.62 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 0.00 0.00 0.00 126 R 8.80 5.11 0.00 1.87 1.25 0.00 3.20 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 127 E 8.86 5.30 0.00 1.99 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.52 0.00 128 F 9.92 5.34 0.00 3.01 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 0.00 129 T 8.73 4.70 4.29 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 1.25 0.00 0.00 130 L 8.63 4.50 0.00 1.64 1.64 0.92 0.76 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 0.00 131 G 7.85 4.04 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 0.00 0.00 0.00 132 E 8.66 3.62 0.00 2.14 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 2.21 2.30 0.00 133 E 8.65 4.15 0.00 2.15 1.79 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 2.12 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.