NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.3940 8.3044 118.1958 55.2156 32.5759 173.7975 9 R 4.3142 8.1656 119.0365 53.6835 31.2619 173.8700 10 I 3.9673 8.4921 127.4381 62.0205 38.1537 175.5790 11 T 4.6451 8.3734 116.8593 61.5462 68.9962 174.9699 12 Q 4.2223 7.9647 120.8685 56.9475 29.7725 176.2211 13 G 4.0574 8.5079 105.0423 46.2758 0.0000 174.2875 14 T 3.7558 8.4202 118.2762 65.5172 68.6627 175.3580 15 F 5.1860 7.7111 119.3333 57.4163 40.1038 176.3463 16 S 4.5282 8.5280 115.5312 60.0580 62.7225 174.9201 17 F 4.2701 8.2866 118.1611 57.5247 39.4104 175.4323 18 L 4.7621 7.5743 120.5605 51.9403 43.6472 174.5000 19 P 4.4350 0.0000 0.0000 62.3288 31.8341 176.4048 20 D 4.4680 8.5929 120.0348 54.7240 41.1707 177.0238 21 L 4.3552 8.4574 124.1712 54.8263 42.4669 177.7748 22 T 4.2681 9.4937 114.2905 61.3035 71.0958 175.7595 23 D 4.4629 8.5950 121.2362 57.2623 40.7682 178.7599 24 E 3.9763 8.0883 119.8180 59.2100 29.7894 178.5704 25 Q 3.9505 7.9595 118.1014 58.9257 28.7516 178.6301 26 I 3.8247 8.1995 121.3454 64.1891 37.1486 178.3144 27 K 3.9637 8.1643 120.4943 59.6327 32.0650 179.0631 28 K 4.2081 8.1716 118.6703 59.5705 31.9261 179.4375 29 Q 4.0470 8.2176 118.3334 58.7598 28.4962 178.9037 30 I 3.9347 7.8256 121.2133 64.3674 37.1250 177.8962 31 D 4.4444 8.1721 119.8202 57.5338 40.4239 178.2402 32 Y 4.0955 7.9673 118.7295 61.0889 39.1501 177.6740 33 M 4.0643 8.1964 119.4221 58.5836 32.1175 178.7428 34 I 3.7173 8.2476 120.3405 64.5517 37.1131 178.6614 35 S 4.2241 8.0655 113.6623 60.4564 62.6426 175.5331 36 K 4.3136 7.3993 120.6555 55.0250 33.4961 176.5224 37 K 3.8137 7.5994 116.2506 57.6126 30.1384 174.4944 38 L 5.0758 7.4476 115.8603 52.9899 44.6326 177.8620 39 A 4.3523 8.9708 123.6902 51.7888 20.3184 176.6041 40 I 4.7936 8.6612 122.4545 59.6110 39.7310 175.1170 41 G 4.4532 8.9876 114.4914 44.3333 0.0000 171.5439 42 I 5.1438 8.2840 121.4024 59.4009 40.4904 174.5692 43 E 5.5262 9.2935 125.0830 55.4136 34.4557 173.7722 44 Y 6.2139 8.7744 117.9670 57.8003 41.9137 173.2917 45 T 4.8585 8.0709 109.1924 61.1689 71.9097 172.6172 46 N 5.1601 8.7286 117.2657 52.6238 38.0162 174.6199 47 D 4.6706 7.4054 118.7399 53.2720 41.1435 175.1050 48 I 3.9496 7.6347 118.9301 60.4434 38.3320 176.6002 49 H 4.3444 8.2467 121.4919 56.5589 30.0861 174.3249 50 P 4.4780 0.0000 0.0000 64.6714 31.3912 177.0267 51 R 4.2994 7.8900 116.9388 56.4644 30.0849 175.4032 *64 N 5.0813 7.9470 116.8498 53.2786 38.9083 174.2949 65 A 3.9581 7.9861 124.1292 53.8279 18.9672 177.7098 66 Y 4.7652 6.8715 114.0765 55.7737 37.6059 175.4452 67 W 4.6064 8.4087 123.9652 56.0039 30.7652 175.3607 68 E 4.2389 9.0108 121.6032 56.3735 29.9594 176.4339 69 I 4.5240 8.1760 116.6383 59.6539 39.6673 175.3824 70 W 4.6015 9.1010 135.0000 56.7639 30.5484 176.9500 71 G 3.6719 7.9943 118.2156 44.8277 0.0000 171.0660 72 L 4.3964 8.0901 120.0894 53.0773 43.2840 175.3744 73 P 4.3047 0.0000 0.0000 62.7300 32.3127 175.9891 74 L 3.9920 8.8381 122.6549 55.6300 42.2170 176.6264 75 F 4.1502 9.0940 126.1339 58.7406 38.4062 177.9582 76 D 4.7594 8.9194 124.4353 54.5417 39.9328 177.1420 77 V 3.8394 7.4521 118.8752 63.4011 32.7191 175.4029 78 T 4.3618 8.4918 120.9538 63.6340 71.2865 173.1312 79 D 4.7581 7.8666 121.3394 51.6701 41.4139 174.4906 80 P 4.2618 0.0000 0.0000 66.0307 30.9560 178.0185 81 A 4.1539 8.2678 119.7262 54.8025 17.7559 179.2481 82 A 4.0176 8.3272 120.0278 55.2051 18.3984 180.0743 83 V 3.6741 7.7713 116.3500 66.0766 31.8726 177.9009 84 L 4.0071 8.4694 120.4851 57.8536 41.8048 178.7400 85 F 4.0885 8.3757 120.8240 61.4923 39.3855 177.0290 86 E 4.0981 8.1823 117.3298 59.3742 29.1954 179.4432 87 I 3.4979 7.9107 119.9894 64.5058 37.1830 178.2285 88 N 4.2244 8.1619 116.7281 55.5489 38.3065 177.5917 89 A 3.6961 7.4558 122.6565 55.0772 18.4379 179.2067 90 C 2.0000 7.8251 117.4396 61.8440 31.1747 175.6466 91 R 3.6489 7.2942 118.4719 59.2764 29.7432 178.5266 92 K 3.9293 7.4826 117.4501 59.3601 32.3262 178.2150 93 A 4.2107 7.4180 118.4880 53.1986 19.1703 177.3912 94 R 4.3376 7.6711 117.1581 54.6044 31.2553 176.9825 95 S 4.1221 8.3256 116.4883 61.7402 63.5794 176.8574 96 N 4.7513 7.9756 115.8636 52.1762 36.9027 173.7262 97 F 4.7277 7.5943 114.5632 56.7971 44.2181 175.5247 98 Y 4.4902 8.7650 118.2715 57.6931 39.4329 174.9803 99 I 5.6605 9.0206 123.5010 59.6110 41.3500 174.5649 100 K 4.9470 9.6610 125.3867 55.0259 36.5591 174.9447 101 V 4.5589 7.9372 121.2922 61.0534 33.9607 174.4944 102 V 4.7993 8.8602 127.4733 60.9765 34.9013 174.1354 103 G 4.4224 9.2353 114.9752 44.5625 0.0000 171.7253 104 F 5.2774 9.2804 128.8930 56.4330 42.0495 174.1015 105 S 4.8552 7.7669 120.2420 56.5380 64.6582 174.3439 106 S 4.6922 8.5140 120.7369 58.0762 63.5701 174.4473 107 V 3.6547 7.6415 122.3273 63.1872 31.8270 177.0082 107A R 3.7396 8.5786 128.4418 59.5400 30.2855 177.1940 107B G 3.8010 7.9784 103.0849 46.3902 0.0000 173.4195 108 I 3.9800 7.5846 119.3901 60.7173 39.3522 176.0731 109 E 4.0850 7.7608 118.9378 55.3541 27.2158 173.0445 110 S 4.5637 6.1137 111.9701 57.7294 66.6548 174.1107 111 T 4.6238 8.5663 118.4821 63.4403 68.5173 174.8955 112 I 4.4943 8.2733 118.4552 60.0525 38.8550 175.0155 113 I 4.1617 7.4936 119.5994 60.9737 41.4635 173.0587 114 S 5.0590 8.1250 121.0608 57.7111 65.6884 173.3321 115 F 5.3188 8.5842 122.3641 54.8689 41.5260 174.2428 116 I 4.4176 8.6399 121.2972 61.4842 37.6996 176.0929 117 V 4.5825 8.9435 118.5149 60.1215 33.9856 174.8236 118 N 4.2895 7.4946 116.3996 53.4331 41.8691 173.6916 119 R 4.3075 8.5219 124.4988 53.0661 33.9259 173.3852 120 P 4.2450 0.0000 0.0000 62.1357 32.0460 176.6125 121 K 4.0165 8.5890 118.6373 59.1528 32.0967 177.3520 122 H 4.7271 8.0041 116.2152 54.0781 32.4658 171.7786 123 E 4.7298 8.4133 127.4282 53.7641 29.8763 173.2212 124 P 4.2861 0.0000 0.0000 64.5315 32.1520 176.1948 125 G 3.8248 8.9597 103.3091 43.6935 0.0000 171.8435 126 F 5.0742 8.5526 116.5402 55.6604 42.3241 174.4798 127 N 4.9678 8.9924 119.8643 51.0866 41.2043 173.2014 128 L 5.2674 8.5485 126.7781 53.6634 44.6669 175.0379 129 M 4.5225 9.5054 126.8589 54.2568 34.0771 175.6108 130 R 4.3113 8.5412 122.7262 54.2793 30.9714 173.5534 131 Q 4.1921 8.4924 124.7022 55.1646 30.5767 174.1799 132 E 4.3576 8.7508 126.7232 55.1656 29.9706 175.5626 133 D 4.8566 8.5510 125.4270 54.0069 40.4300 177.8466 134 K 4.2576 8.5739 116.5091 57.0539 34.1852 177.2276 135 S 3.6641 8.6412 118.9746 60.1601 62.0553 173.8270 136 R 4.4788 8.9058 127.0138 56.6676 31.1782 176.2174 137 S 4.4032 8.1671 115.8025 59.0144 64.0994 173.4707 138 I 4.8822 8.0077 121.9396 59.5604 41.2062 174.8639 139 K 4.3927 8.7224 126.3262 55.2273 33.2679 175.5059 140 Y 5.3933 8.4570 122.7833 56.9730 39.7280 175.5700 141 T 4.7026 8.4316 117.4689 62.2420 72.8116 172.6315 142 I 4.9455 8.5513 127.1682 59.8729 39.4649 174.7456 143 H 4.9984 9.1352 126.1363 54.4310 33.4540 172.8950 144 S 4.2334 8.6082 120.3482 58.0503 64.1273 174.4150 145 Y 4.5939 8.2834 121.4319 61.5598 37.6036 178.8416 146 E 3.9858 8.1495 118.9180 59.3958 29.2597 178.7514 147 S 4.3772 7.7012 112.0187 59.6903 62.8607 174.8866 148 Y 4.3792 8.0384 119.5478 57.4932 38.2947 175.1278 149 K 4.7288 7.2005 119.3129 53.2519 35.1714 174.2312 150 P 4.4211 0.0000 0.0000 62.7049 32.0271 176.9174 151 E 3.8300 8.8599 121.0213 60.1005 29.4985 179.1338 152 D 4.6116 8.1510 114.8151 54.9508 39.2784 176.3183 153 E 4.5879 8.3162 118.4579 56.2471 30.4094 176.1497 154 R 4.1953 8.0905 118.8615 56.4832 31.1651 176.2452 155 Y 3.9467 8.1655 118.0017 58.7054 38.6352 171.1715 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 8 M 8.30 4.39 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 9 R 8.17 4.31 0.00 1.82 1.78 0.00 3.16 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 10 I 8.49 3.97 2.08 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 1.62 0.60 0.92 0.00 0.00 11 T 8.37 4.65 4.51 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 1.12 0.00 0.00 12 Q 7.96 4.22 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.61 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 13 G 8.51 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 0.00 0.00 0.00 14 T 8.42 3.76 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 0.26 0.00 0.00 15 F 7.71 5.19 0.00 3.10 2.93 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 16 S 8.53 4.53 0.00 4.02 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 17 F 8.29 4.27 0.00 3.06 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 18 L 7.57 4.76 0.00 1.87 1.61 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.44 0.00 2.04 1.99 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 20 D 8.59 4.47 0.00 2.68 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 21 L 8.46 4.36 0.00 1.72 1.60 0.94 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 22 T 9.49 4.27 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 1.27 0.00 0.00 23 D 8.59 4.46 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.09 3.98 0.00 2.00 1.92 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 2.38 2.33 0.00 25 Q 7.96 3.95 0.00 2.26 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 26 I 8.20 3.82 2.11 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 1.66 0.92 1.09 0.00 0.00 27 K 8.16 3.96 0.00 1.98 2.10 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.66 7.81 28 K 8.17 4.21 0.00 1.95 1.81 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.61 7.81 29 Q 8.22 4.05 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.22 1.76 0.00 30 I 7.83 3.93 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.94 0.99 0.00 0.00 31 D 8.17 4.44 0.00 2.95 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 32 Y 7.97 4.10 0.00 2.94 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.20 4.06 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.12 2.80 0.00 34 I 8.25 3.72 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.99 0.00 0.00 35 S 8.07 4.22 0.00 3.96 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 36 K 7.40 4.31 0.00 1.55 1.68 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 0.75 7.81 37 K 7.60 3.81 0.00 1.82 1.83 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.45 5.08 0.00 1.54 1.82 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.97 4.35 1.23 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 0.00 0.00 40 I 8.66 4.79 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.93 0.95 0.00 0.00 41 G 8.99 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 42 I 8.28 5.14 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.88 0.00 0.00 43 E 9.29 5.53 0.00 1.80 1.92 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 2.26 2.24 0.00 44 Y 8.77 6.21 0.00 3.29 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 45 T 8.07 4.86 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 0.97 0.00 0.00 46 N 8.73 5.16 0.00 2.79 2.25 0.00 0.00 5.71 8.06 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 47 D 7.41 4.67 0.00 2.63 2.42 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 48 I 7.63 3.95 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.27 -0.32 0.00 0.00 49 H 8.25 4.34 0.00 3.41 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.48 0.00 2.13 2.04 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 51 R 7.89 4.30 0.00 1.94 1.94 0.00 3.30 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 *64 N 7.95 5.08 0.00 2.85 2.98 0.00 0.00 7.57 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 65 A 7.99 3.96 0.73 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 0.00 0.00 66 Y 6.87 4.77 0.00 3.19 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 67 W 8.41 4.61 0.00 3.22 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.01 4.24 0.00 1.16 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 2.22 2.38 0.00 69 I 8.18 4.52 1.91 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 1.23 0.59 0.93 0.00 0.00 70 W 9.10 4.60 0.00 3.64 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.99 3.67 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 0.00 0.00 0.00 72 L 8.09 4.40 0.00 1.59 1.58 0.94 0.97 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 73 P 0.00 4.30 0.00 1.46 1.80 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 74 L 8.84 3.99 0.00 1.69 1.66 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 F 9.09 4.15 0.00 3.01 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 76 D 8.92 4.76 0.00 2.73 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 77 V 7.45 3.84 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 0.84 0.00 0.00 1.05 0.00 0.00 78 T 8.49 4.36 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 79 D 7.87 4.76 0.00 2.75 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 80 P 0.00 4.26 0.00 2.35 2.37 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 81 A 8.27 4.15 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 82 A 8.33 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.77 3.67 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 1.09 0.00 0.00 0.99 0.00 0.00 84 L 8.47 4.01 0.00 1.91 1.74 1.07 0.81 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 85 F 8.38 4.09 0.00 3.39 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.18 4.10 0.00 2.35 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 0.00 2.82 2.74 0.00 87 I 7.91 3.50 2.00 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 1.47 0.80 0.84 0.00 0.00 88 N 8.16 4.22 0.00 2.73 2.71 0.00 0.00 6.95 7.00 0.00 0.00 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 A 7.46 3.70 1.23 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 0.00 0.00 90 C 7.83 2.00 0.00 1.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.29 3.65 0.00 1.81 1.85 0.00 3.18 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 92 K 7.48 3.93 0.00 1.76 1.90 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.54 7.81 93 A 7.42 4.21 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 94 R 7.67 4.34 0.00 1.27 0.95 0.00 2.21 0.00 0.00 2.40 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.50 0.00 95 S 8.33 4.12 0.00 3.85 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 96 N 7.98 4.75 0.00 2.94 2.88 0.00 0.00 5.77 7.43 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 97 F 7.59 4.73 0.00 2.87 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 98 Y 8.76 4.49 0.00 2.74 2.93 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 99 I 9.02 5.66 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.09 0.91 0.00 0.00 100 K 9.66 4.95 0.00 1.57 1.69 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.86 0.95 7.81 101 V 7.94 4.56 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 0.00 0.00 0.85 0.00 0.00 0.67 0.00 0.00 102 V 8.86 4.80 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 0.98 0.00 0.00 0.76 0.00 0.00 103 G 9.24 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.28 5.28 0.00 3.17 2.93 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 0.00 105 S 7.77 4.86 0.00 3.77 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.51 4.69 0.00 3.98 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 0.00 107 V 7.64 3.65 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 0.76 0.00 0.00 0.90 0.00 0.00 107A R 8.58 3.74 0.00 1.82 1.93 0.00 3.28 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 107B G 7.98 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 0.00 108 I 7.58 3.98 1.75 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 0.48 0.77 0.00 0.00 109 E 7.76 4.09 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 110 S 6.11 4.56 0.00 3.88 3.60 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 0.00 111 T 8.57 4.62 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 1.30 0.00 0.00 112 I 8.27 4.49 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 1.10 0.73 0.87 0.00 0.00 113 I 7.49 4.16 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 1.12 0.00 0.00 114 S 8.13 5.06 0.00 3.87 3.58 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 0.00 115 F 8.58 5.32 0.00 3.27 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 0.00 116 I 8.64 4.42 2.05 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 1.15 0.00 0.00 117 V 8.94 4.58 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 0.61 0.00 0.00 0.89 0.00 0.00 118 N 7.49 4.29 0.00 2.67 2.59 0.00 0.00 6.87 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 0.00 119 R 8.52 4.31 0.00 1.60 1.39 0.00 3.26 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 120 P 0.00 4.24 0.00 1.88 1.41 0.00 2.20 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.44 0.00 121 K 8.59 4.02 0.00 1.77 1.93 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.40 7.81 122 H 8.00 4.73 0.00 3.07 3.16 0.00 5.69 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 0.00 123 E 8.41 4.73 0.00 2.05 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 0.00 2.35 2.40 0.00 124 P 0.00 4.29 0.00 2.12 2.11 0.00 3.70 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 2.14 2.12 0.00 125 G 8.96 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 0.00 0.00 0.00 126 F 8.55 5.07 0.00 2.86 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 0.00 127 N 8.99 4.97 0.00 1.88 2.67 0.00 0.00 6.52 7.11 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 0.00 128 L 8.55 5.27 0.00 1.70 1.60 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 129 M 9.51 4.52 0.00 1.97 2.01 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 2.62 2.74 0.00 130 R 8.54 4.31 0.00 1.63 1.73 0.00 3.24 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 131 Q 8.49 4.19 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 132 E 8.75 4.36 0.00 1.86 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 2.26 2.25 0.00 133 D 8.55 4.86 0.00 2.56 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 0.00 134 K 8.57 4.26 0.00 1.85 1.70 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.64 3.66 0.00 3.97 3.18 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 0.00 136 R 8.91 4.48 0.00 1.78 1.95 0.00 3.38 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 137 S 8.17 4.40 0.00 3.91 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 0.00 138 I 8.01 4.88 1.39 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 1.18 0.68 -0.10 0.00 0.00 139 K 8.72 4.39 0.00 1.59 1.72 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.51 7.81 140 Y 8.46 5.39 0.00 2.84 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 0.00 141 T 8.43 4.70 4.31 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 1.28 0.00 0.00 142 I 8.55 4.95 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.51 0.00 0.00 143 H 9.14 5.00 0.00 3.15 3.02 0.00 5.58 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.61 4.23 0.00 3.55 3.61 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 0.00 145 Y 8.28 4.59 0.00 3.13 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 0.00 146 E 8.15 3.99 0.00 1.64 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 0.00 1.95 1.47 0.00 147 S 7.70 4.38 0.00 3.70 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 0.00 148 Y 8.04 4.38 0.00 3.20 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 0.00 149 K 7.20 4.73 0.00 1.69 1.69 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.47 7.81 150 P 0.00 4.42 0.00 2.38 2.19 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 151 E 8.86 3.83 0.00 2.10 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 2.68 2.38 0.00 152 D 8.15 4.61 0.00 2.83 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 0.00 153 E 8.32 4.59 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 154 R 8.09 4.20 0.00 1.77 1.68 0.00 3.40 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 155 Y 8.17 3.95 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.