NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0529 8.0244 121.4511 61.3422 38.3798 175.9925 5 N 4.4587 8.3414 124.9714 51.4206 37.9360 173.1423 6 L 3.8809 8.2679 128.8002 57.4235 42.8987 177.9023 7 V 3.5671 7.6717 118.0696 65.8614 31.5582 177.6451 8 Q 3.9388 8.4195 119.3765 58.9742 28.8255 177.8084 9 L 3.8667 7.9183 121.3839 58.1483 42.0677 179.2690 10 V 3.7215 7.7164 117.9274 66.1468 31.5859 177.9956 11 R 4.0234 7.9835 117.8311 59.7298 30.0515 178.8611 12 D 4.5231 8.2610 118.4396 57.4116 40.8091 178.9545 13 S 4.4291 8.5150 116.0180 61.7751 62.6619 176.6971 14 L 4.1236 7.9091 120.3398 57.1323 41.6088 179.2096 15 F 4.1004 8.3738 118.1388 60.9706 38.7091 177.6419 16 T 3.9882 7.7953 113.6073 65.8280 68.2187 175.5623 17 I 4.5749 7.1052 111.6054 59.0354 38.1872 172.5747 18 G 3.5545 7.9953 116.6698 44.7327 0.0000 171.7460 *20 P 4.0707 0.0000 0.0000 61.2663 32.3773 175.4196 21 P 4.2947 0.0000 0.0000 64.3253 31.7623 178.2731 22 S 4.0528 7.9071 113.5924 60.5734 63.1472 174.8823 23 I 4.0179 7.5991 113.4762 61.2432 38.1817 174.4578 24 I 5.0815 6.9938 121.8381 59.6864 39.7949 174.5376 25 T 4.8707 8.6388 117.6705 60.6177 72.5813 172.3329 26 D 4.7268 8.0635 120.5688 53.1329 42.0965 174.0306 *30 H 4.5233 8.7611 114.6723 56.2760 30.3855 173.4906 31 S 4.8023 8.3129 116.3469 57.6547 64.5628 173.3128 32 A 4.6480 8.4763 121.5803 51.7685 20.4937 177.0993 33 I 4.5932 8.4431 120.0588 60.0816 39.7721 175.1525 34 T 4.8412 8.5917 122.4764 61.7411 71.7221 173.2110 35 I 4.6982 8.5761 127.0471 59.6728 39.3549 174.9554 36 S 4.7043 8.9078 124.8220 57.8439 63.4853 174.2610 37 L 4.8358 8.2265 122.7183 52.8733 44.2024 175.7710 38 D 4.5551 8.4911 120.5330 55.1484 41.6602 177.0184 39 S 3.9803 8.8525 117.1381 59.3196 60.4531 171.5713 40 M 4.7445 7.2899 115.9610 53.2253 36.0411 173.2120 41 P 4.0366 0.0000 0.0000 62.5630 31.9276 176.5220 42 A 4.2950 8.0893 123.1161 52.1171 19.6082 176.7803 43 I 4.1551 8.4210 120.8496 60.2741 38.8363 174.8570 44 N 4.8361 8.3122 125.2419 51.6051 40.5609 174.3648 45 I 5.1065 8.0444 122.4092 59.7623 41.5147 174.2212 46 A 4.8793 8.9966 126.1550 50.9747 23.3683 175.2683 47 L 4.6123 8.5681 119.9779 54.2150 42.0576 177.3678 48 V 4.0487 8.8006 125.2591 61.4484 32.6925 174.7906 49 N 4.1253 9.4543 127.3599 54.4151 35.4883 175.2973 50 E 3.9399 8.2209 113.1145 56.5450 28.2098 175.0249 51 Q 4.6786 7.4587 117.2147 53.6000 31.9834 174.7754 52 V 4.3185 8.2806 121.9703 63.0977 33.0406 174.2248 53 M 5.3393 9.3798 127.4744 53.7729 35.5278 173.9006 54 L 5.4365 8.8258 125.3451 52.8735 45.0152 175.4392 55 W 5.8872 8.4922 118.0500 55.6483 32.2595 173.2598 56 A 4.7308 9.4179 122.4644 50.5578 22.1552 174.6887 57 N 4.9226 8.5485 120.2998 51.7728 39.9219 174.4204 58 F 4.7831 9.1643 123.6135 55.2170 41.7842 175.2145 59 D 5.0226 9.1260 122.3225 54.8920 41.2931 176.3360 60 A 4.2047 8.8686 125.7405 51.8029 18.6824 175.8545 61 P 4.3980 0.0000 0.0000 62.1404 32.4614 177.0153 62 S 4.3033 8.4608 115.0524 58.7840 64.7570 175.0035 63 D 4.3295 8.5318 121.2993 57.4001 41.0082 178.5987 64 V 3.5932 7.7097 118.5341 65.7396 31.6600 177.7535 65 K 4.0127 7.9302 120.4496 58.7912 31.8911 178.4630 66 L 3.9440 7.9018 120.6329 58.1568 41.7584 178.7743 67 Q 3.9702 7.8227 118.6153 59.2674 29.1022 178.1716 68 S 4.3077 8.2208 115.0675 60.6261 63.1629 175.4862 69 S 4.6813 8.1006 116.7070 58.2989 63.0289 175.7031 70 A 3.9674 7.7223 125.1718 55.3438 18.1568 179.0536 71 Y 4.1575 8.0371 117.4166 61.1631 38.9646 178.0785 72 N 4.1353 8.0959 116.7971 56.2151 38.8144 177.4080 73 I 3.6785 7.9575 121.5297 63.9485 37.2052 178.1731 74 L 3.9109 8.4836 121.6251 58.2365 41.7151 178.7996 75 N 4.1931 7.7236 115.2528 56.0641 38.5710 176.7161 76 L 4.0059 7.6777 121.6196 58.5800 41.9389 179.0413 77 M 4.1255 7.6717 116.8908 57.9074 32.0374 178.1618 78 L 4.2176 7.7805 117.4070 55.3802 42.1361 177.3188 79 M 4.1357 7.0950 119.9305 54.7376 32.3675 175.8553 80 N 4.4398 8.7605 122.3153 54.0414 39.7247 174.2706 81 F 4.5997 9.0748 127.4296 55.8368 39.8990 175.2011 82 S 4.0794 7.7200 121.8052 60.5590 63.3821 175.6458 83 Y 4.0723 6.6103 117.8027 59.3683 38.3206 175.3520 84 S 4.9816 8.2185 115.5077 57.5028 63.3232 174.6839 85 I 3.8233 8.3355 120.3852 63.3522 37.2802 176.5735 86 N 4.7770 8.1505 115.0162 51.7165 37.7030 174.2584 87 E 4.7146 8.2469 116.2864 56.7418 27.7404 173.7001 88 L 5.1234 8.0741 117.1492 52.8345 45.2348 175.8264 89 V 4.1445 8.1388 120.1294 61.8395 32.6124 175.0743 90 E 4.5477 9.2212 127.8349 55.2739 31.5726 174.8112 91 L 5.1179 8.3826 124.5850 53.7089 44.3331 174.9765 92 H 4.9801 9.4361 123.7986 53.9563 31.8801 172.9063 93 R 5.1049 8.6832 123.1119 54.7164 31.5232 175.1579 94 S 4.8906 9.0628 120.4901 55.9387 66.1727 173.7180 95 D 4.4682 8.7861 119.6590 57.2702 40.6455 177.7788 96 E 4.1902 7.9467 118.2905 57.0231 30.6359 174.7154 97 Y 5.6155 7.6735 115.3038 56.0274 42.4727 174.3555 98 L 5.0761 9.5375 125.1270 53.7279 44.1225 174.7412 99 Q 5.2772 9.4955 128.4670 54.3213 31.6966 174.2176 100 L 4.9546 8.9808 127.2328 54.4799 43.2864 176.0217 101 R 5.4559 9.3843 123.6060 54.8538 34.0627 174.0232 102 V 4.7721 8.9538 124.3197 60.1589 35.6598 173.8799 103 V 4.6489 8.3780 123.0855 61.4796 33.0402 174.7166 104 I 4.6791 8.8323 130.0791 60.8604 38.1213 176.0377 105 K 4.3894 8.9340 126.9391 55.4604 33.4603 177.0115 106 D 4.3509 8.9761 124.4891 57.6960 41.1302 178.3558 107 D 4.2763 8.0473 116.7697 57.1805 40.7228 177.0128 108 Y 4.8208 7.7136 113.9828 57.9085 38.0194 176.2209 109 V 4.2951 7.7255 111.5873 61.4704 32.3152 175.9358 110 H 4.7780 8.1190 115.6012 55.8096 29.6396 174.7352 111 D 4.8441 7.7153 119.2441 51.6429 44.5237 175.8725 112 G 3.7005 8.7959 113.7410 48.5262 0.0000 175.7004 113 I 3.8078 7.9745 121.4949 64.2015 37.4915 178.2914 114 V 3.7561 7.9521 118.5859 66.1282 31.5569 177.7000 115 F 4.1683 8.7094 120.3943 61.1493 39.1058 176.8324 116 A 3.9402 8.0149 120.3030 54.9581 18.0048 179.2291 117 E 3.8061 8.0975 118.0013 59.1549 29.5914 178.9588 118 I 3.0633 7.0867 119.3553 64.2353 37.0704 178.1132 119 L 3.8869 7.3029 119.5913 58.0063 41.4025 179.2287 120 H 4.1749 8.1467 118.1354 59.1576 29.9271 176.9265 121 E 4.1814 8.5437 121.5461 59.3081 29.5089 178.3884 122 F 4.2308 8.7269 120.9076 61.7057 39.3816 176.4351 123 Y 4.0414 8.5300 119.3262 60.8079 38.6232 177.9681 124 Q 3.8404 8.2853 118.9763 59.0524 28.7669 179.1949 125 R 3.8327 7.7358 118.8739 59.2902 30.0019 178.9036 126 M 3.9458 7.5895 118.5247 58.3955 32.0083 178.6236 127 E 3.7692 7.9177 118.7553 59.3236 29.1560 179.5567 128 I 3.6007 7.4504 119.5931 64.2696 37.0510 178.3022 129 L 3.5410 7.6122 121.2053 57.9732 41.5805 178.4619 130 N 4.4092 8.2270 116.7790 56.5961 38.9410 176.8656 131 G 3.6878 7.8039 105.8304 46.7143 0.0000 175.0395 132 V 4.2316 7.0060 111.3536 61.1473 32.4495 176.4078 133 L 4.3709 7.4837 124.5158 54.8046 41.8389 175.9822 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 4 I 8.02 4.05 1.85 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 1.27 1.08 0.83 0.00 0.00 5 N 8.34 4.46 0.00 2.82 2.70 0.00 0.00 6.82 5.78 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 6 L 8.27 3.88 0.00 1.77 1.64 0.74 0.87 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 7 V 7.67 3.57 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 0.97 0.00 0.00 0.90 0.00 0.00 8 Q 8.42 3.94 0.00 2.22 2.29 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 2.42 2.35 0.00 9 L 7.92 3.87 0.00 1.74 1.62 0.82 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.72 3.72 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 1.04 0.00 0.00 1.11 0.00 0.00 11 R 7.98 4.02 0.00 2.07 2.20 0.00 3.25 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 12 D 8.26 4.52 0.00 2.95 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 13 S 8.52 4.43 0.00 4.19 4.03 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 14 L 7.91 4.12 0.00 1.73 1.62 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.37 4.10 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.80 3.99 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 17 I 7.11 4.57 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.57 0.88 0.00 0.00 18 G 8.00 3.55 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 0.00 0.00 0.00 *20 P 0.00 4.07 0.00 2.14 2.03 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 21 P 0.00 4.29 0.00 2.23 2.12 0.00 3.34 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 22 S 7.91 4.05 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.60 4.02 2.01 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 1.39 1.11 0.88 0.00 0.00 24 I 6.99 5.08 1.84 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 1.27 0.90 0.91 0.00 0.00 25 T 8.64 4.87 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 1.19 0.00 0.00 26 D 8.06 4.73 0.00 2.62 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 *30 H 8.76 4.52 0.00 3.18 3.35 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.31 4.80 0.00 4.07 3.87 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 32 A 8.48 4.65 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.44 4.59 1.84 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 1.22 0.50 0.97 0.00 0.00 34 T 8.59 4.84 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 35 I 8.58 4.70 1.82 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 1.19 0.65 0.85 0.00 0.00 36 S 8.91 4.70 0.00 3.68 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 37 L 8.23 4.84 0.00 1.65 1.60 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.49 4.56 0.00 2.79 2.58 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 0.00 0.00 0.00 0.00 39 S 8.85 3.98 0.00 4.03 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 40 M 7.29 4.74 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 41 P 0.00 4.04 0.00 1.39 1.57 0.00 3.32 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.24 0.00 42 A 8.09 4.30 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 0.00 0.00 0.00 0.00 0.00 43 I 8.42 4.16 1.85 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.79 0.87 0.00 0.00 44 N 8.31 4.84 0.00 1.44 1.42 0.00 0.00 6.31 8.27 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 45 I 8.04 5.11 1.85 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 1.14 0.57 1.03 0.00 0.00 46 A 9.00 4.88 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.57 4.61 0.00 1.59 1.66 0.93 0.82 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 48 V 8.80 4.05 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 0.93 0.00 0.00 0.91 0.00 0.00 49 N 9.45 4.13 0.00 2.88 2.83 0.00 0.00 7.25 7.66 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 50 E 8.22 3.94 0.00 2.15 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 0.00 2.19 2.26 0.00 51 Q 7.46 4.68 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 52 V 8.28 4.32 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 1.07 0.00 0.00 0.87 0.00 0.00 53 M 9.38 5.34 0.00 2.23 1.89 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 54 L 8.83 5.44 0.00 0.67 0.69 0.56 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.49 5.89 0.00 3.53 3.20 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 56 A 9.42 4.73 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 57 N 8.55 4.92 0.00 1.89 1.42 0.00 0.00 6.99 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 58 F 9.16 4.78 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 59 D 9.13 5.02 0.00 2.66 2.74 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 0.00 0.00 0.00 60 A 8.87 4.20 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 61 P 0.00 4.40 0.00 2.20 2.08 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 62 S 8.46 4.30 0.00 4.07 4.06 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 63 D 8.53 4.33 0.00 2.74 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 64 V 7.71 3.59 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 0.98 0.00 0.00 0.93 0.00 0.00 65 K 7.93 4.01 0.00 1.95 1.96 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.35 7.81 66 L 7.90 3.94 0.00 1.98 1.83 0.91 0.56 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 67 Q 7.82 3.97 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 68 S 8.22 4.31 0.00 4.12 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 0.00 69 S 8.10 4.68 0.00 3.97 3.88 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 0.00 0.00 0.00 70 A 7.72 3.97 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 71 Y 8.04 4.16 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.14 0.00 2.85 2.75 0.00 0.00 7.11 7.31 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 73 I 7.96 3.68 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.83 0.00 0.00 74 L 8.48 3.91 0.00 1.81 1.75 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.72 4.19 0.00 2.41 2.65 0.00 0.00 7.02 7.40 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 76 L 7.68 4.01 0.00 1.74 1.73 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 77 M 7.67 4.13 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.89 0.00 78 L 7.78 4.22 0.00 1.59 1.70 0.91 0.73 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 79 M 7.10 4.14 0.00 1.99 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.45 0.00 80 N 8.76 4.44 0.00 2.67 2.71 0.00 0.00 6.85 7.02 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 81 F 9.07 4.60 0.00 3.07 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 82 S 7.72 4.08 0.00 3.71 3.68 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 83 Y 6.61 4.07 0.00 2.86 2.66 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 0.00 0.00 0.00 84 S 8.22 4.98 0.00 4.29 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 0.00 85 I 8.34 3.82 1.93 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 1.58 0.77 1.05 0.00 0.00 86 N 8.15 4.78 0.00 2.86 2.97 0.00 0.00 6.03 7.66 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 87 E 8.25 4.71 0.00 2.28 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 2.40 2.27 0.00 88 L 8.07 5.12 0.00 1.64 1.55 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.14 4.14 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 0.82 0.00 0.00 0.45 0.00 0.00 90 E 9.22 4.55 0.00 2.11 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 2.30 2.28 0.00 91 L 8.38 5.12 0.00 1.57 1.50 0.93 0.91 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 92 H 9.44 4.98 0.00 3.17 3.20 0.00 5.83 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 93 R 8.68 5.10 0.00 1.83 1.84 0.00 3.19 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 94 S 9.06 4.89 0.00 3.94 3.88 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 0.00 0.00 0.00 95 D 8.79 4.47 0.00 2.62 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 96 E 7.95 4.19 0.00 1.72 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.90 0.00 97 Y 7.67 5.62 0.00 2.91 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 98 L 9.54 5.08 0.00 1.82 1.65 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.50 5.28 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 100 L 8.98 4.95 0.00 1.87 1.70 0.69 0.24 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 0.00 101 R 9.38 5.46 0.00 1.93 1.82 0.00 3.18 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 102 V 8.95 4.77 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 0.35 0.00 0.00 1.00 0.00 0.00 103 V 8.38 4.65 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 1.16 0.00 0.00 0.96 0.00 0.00 104 I 8.83 4.68 2.08 0.00 0.00 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 1.25 1.16 1.21 0.00 0.00 105 K 8.93 4.39 0.00 2.13 2.09 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.48 1.47 7.81 106 D 8.98 4.35 0.00 2.81 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 0.00 107 D 8.05 4.28 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 7.71 4.82 0.00 3.16 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 0.00 109 V 7.73 4.30 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 0.79 0.00 0.00 0.85 0.00 0.00 110 H 8.12 4.78 0.00 3.14 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.72 4.84 0.00 2.69 2.53 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 0.00 112 G 8.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.97 3.81 2.01 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 1.44 0.61 0.93 0.00 0.00 114 V 7.95 3.76 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 1.29 0.00 0.00 1.03 0.00 0.00 115 F 8.71 4.17 0.00 3.24 3.08 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 0.00 116 A 8.01 3.94 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 0.00 117 E 8.10 3.81 0.00 2.02 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 2.25 2.15 0.00 118 I 7.09 3.06 1.38 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 0.47 -0.31 0.75 0.00 0.00 119 L 7.30 3.89 0.00 1.70 1.63 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.15 4.17 0.00 3.25 3.41 0.00 5.59 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 0.00 121 E 8.54 4.18 0.00 2.25 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 2.25 2.64 0.00 122 F 8.73 4.23 0.00 3.41 3.28 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 0.00 123 Y 8.53 4.04 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.29 3.84 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 125 R 7.74 3.83 0.00 1.61 1.77 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 126 M 7.59 3.95 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.48 0.00 127 E 7.92 3.77 0.00 1.92 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 1.85 1.47 0.00 128 I 7.45 3.60 1.86 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 1.33 0.89 0.80 0.00 0.00 129 L 7.61 3.54 0.00 1.40 1.14 0.67 -0.13 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 0.00 130 N 8.23 4.41 0.00 2.99 2.96 0.00 0.00 7.22 7.53 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 0.00 131 G 7.80 3.69 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 0.00 0.00 0.00 132 V 7.01 4.23 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 0.75 0.00 0.00 0.90 0.00 0.00 133 L 7.48 4.37 0.00 1.56 1.58 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.