NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8258 8.2833 118.1575 52.1182 38.9264 174.9417 2 L 3.8243 8.2566 118.9360 57.2317 41.3590 178.1278 3 Y 3.9228 8.7941 120.4797 60.8018 39.1134 177.8072 4 Q 3.8377 8.7405 119.3480 58.7173 28.7167 178.3855 5 F 4.3159 8.4342 122.0331 61.1266 39.3440 176.8624 6 K 3.4182 8.1975 119.6356 59.6541 31.8671 178.4475 7 N 4.2983 7.7707 116.4194 56.3795 38.3764 177.2266 8 M 4.0718 8.1852 120.4275 58.6010 31.9894 178.9102 9 I 3.5318 7.5780 119.7854 64.4242 37.0015 178.5537 10 Q 3.9929 7.9955 118.0521 58.6975 28.5463 177.3722 11 C 4.5013 7.8968 118.2923 58.1241 44.0081 174.7588 12 T 4.1097 7.7653 109.8697 61.9372 69.1183 175.0519 13 V 4.5140 7.8952 121.1359 60.7635 31.3090 174.1827 14 P 4.5150 0.0000 0.0000 65.1139 31.8570 178.7119 15 S 4.1083 7.5365 113.5136 60.5580 63.2584 174.2250 *17 R 4.0702 7.5650 118.2652 55.5601 31.0770 175.0350 18 S 4.2323 8.1537 115.4703 57.7724 63.3332 174.5212 19 W 4.5880 9.3832 135.0000 61.0536 30.3743 177.8180 20 Q 3.1894 7.1044 115.6456 57.9909 27.6142 177.7218 21 D 4.2629 7.7888 120.7317 56.3014 40.7608 177.2441 22 F 4.6843 7.9450 115.8109 57.1238 40.0547 176.1072 23 A 4.4734 7.9329 122.0607 53.6296 18.7109 177.0770 24 D 4.9815 7.6093 114.7064 53.0967 42.4268 171.6810 25 Y 4.7381 8.8866 123.3425 56.1178 42.6431 175.9966 26 G 3.9370 8.0650 116.5996 46.2256 0.0000 172.4060 27 C 4.3941 9.5265 115.0528 58.2042 40.7638 174.7158 28 Y 4.7773 8.5801 114.7567 57.0728 40.0015 175.0720 29 C 4.6747 8.5353 118.4534 59.3997 40.6286 171.1148 30 G 4.4645 9.1181 112.4481 44.5553 0.0000 172.9326 31 K 4.0303 9.1301 120.9395 59.4751 32.5751 178.3216 32 G 3.7559 7.5908 106.7135 45.4836 0.0000 173.6939 33 G 4.5219 7.9885 112.9064 43.5569 0.0000 171.3530 34 S 4.3634 7.1173 110.9190 58.3263 65.7693 175.7451 35 G 3.7531 8.6030 108.5883 44.7793 0.0000 172.4183 36 T 4.1200 8.3239 116.3700 62.5358 68.6349 172.8826 37 P 4.7739 0.0000 0.0000 63.0046 31.7965 177.1772 38 V 3.8555 8.7939 116.3110 63.4998 32.2044 175.0541 39 D 4.5513 7.4230 117.1402 51.7091 41.7786 175.6547 40 D 4.3562 8.6278 118.0097 57.5305 40.7579 178.4879 41 L 3.9407 7.9790 120.3962 58.2485 42.0478 178.3241 42 D 4.5367 8.8213 118.0753 57.5918 41.1798 178.4023 43 R 3.8502 8.2484 118.6308 59.3518 30.0091 178.2796 44 C 4.3476 8.3319 116.3485 60.5024 38.1268 175.6760 45 C 4.4738 8.2758 117.5647 59.8401 39.5869 175.9671 46 Q 3.4508 8.1833 121.5701 58.9947 28.4893 178.4693 47 V 3.4934 7.7177 119.2522 66.1619 31.5038 177.4004 48 H 3.9516 8.1479 117.9548 59.2882 29.6957 177.0015 49 D 4.2584 8.4822 120.9984 57.5513 40.7477 178.5316 50 N 4.3841 8.4230 117.2567 56.3592 38.3976 176.6341 51 C 4.2772 8.4451 120.3205 59.8936 44.7992 175.2514 52 Y 4.2169 8.1457 118.3518 61.3366 37.2498 178.3249 53 N 4.8144 8.1344 117.5119 55.7393 38.9037 176.8295 54 E 4.0622 8.4182 120.4758 59.2814 29.8317 178.7314 55 A 4.0548 8.3345 120.9822 55.0961 18.2662 179.1603 56 E 4.3457 8.2728 117.8392 58.3052 29.2375 178.8772 57 N 4.4549 7.9008 116.1580 54.6041 39.1151 175.5651 58 I 3.8739 7.3314 122.6605 60.4366 37.7892 175.4108 59 S 4.1627 8.7170 119.7809 60.0168 62.4102 174.1021 60 G 3.8035 8.8088 114.4179 46.1920 0.0000 173.2008 61 C 4.5957 8.0702 120.7687 54.9371 42.3762 172.8555 62 R 4.6901 8.1525 126.7644 53.1883 30.3839 174.1210 63 P 4.0199 0.0000 0.0000 65.5183 31.7231 178.6056 64 Y 4.0850 7.9497 114.8055 59.7336 38.0079 177.0101 65 F 4.6808 7.2343 116.5681 57.3768 41.3152 175.8144 66 K 3.9995 8.3812 122.8582 56.5574 32.1086 176.1465 67 T 4.1734 8.5168 124.1059 62.9389 68.6659 173.8959 68 Y 4.7274 7.5680 125.2949 55.3401 40.6078 174.3103 69 S 5.0892 9.6161 115.0729 56.8671 64.2529 172.5483 70 Y 5.5007 8.5446 123.8384 56.0197 41.3268 173.4428 71 E 4.3922 9.3811 119.8967 54.4699 33.6497 173.3442 72 C 5.4969 8.6960 125.3652 55.1248 47.3581 173.1477 73 T 4.6606 8.7202 116.4051 61.4027 71.5617 174.0964 74 Q 3.4347 9.8768 123.4777 57.1061 26.3278 174.8723 75 G 3.9875 8.4644 103.6053 45.6408 0.0000 173.6257 76 T 4.6094 7.8540 116.7620 61.4817 71.1022 172.6821 77 L 5.2729 8.3906 125.3015 53.6587 43.6116 176.0628 78 T 4.6750 8.9484 119.6761 61.9736 72.5026 172.2684 79 C 4.8960 8.8347 123.8679 56.1452 39.6397 173.9042 80 K 4.4141 9.0661 123.8149 55.5915 32.9029 178.6538 81 G 3.6616 8.7604 110.8181 48.1734 0.0000 174.2740 82 D 4.6573 8.0041 117.5693 53.6658 39.6359 175.7812 83 N 4.6074 7.6186 118.1261 52.8950 39.3737 175.7283 84 N 4.7046 8.5409 120.7246 51.9594 40.1165 175.7002 85 A 3.9378 8.4270 120.9407 55.5297 18.2832 180.0699 86 C 4.1353 8.2368 116.1340 59.8786 41.3876 175.4411 87 A 4.0183 8.8031 122.4421 55.1658 17.9711 179.4192 88 A 3.9019 8.6064 119.5324 55.3380 18.3788 180.0990 89 S 3.9995 8.2241 113.7197 61.7453 62.9422 177.1492 90 V 3.5348 7.9878 121.1730 66.0571 31.3095 177.0325 91 C 2.9366 8.1809 118.6251 59.3973 43.5565 175.1019 92 D 4.1573 8.0152 119.4382 57.3635 40.7727 177.4039 93 C 4.1579 8.2669 117.1649 60.2633 40.3705 175.9857 94 D 3.7935 8.0215 120.2261 57.0493 40.3979 178.7799 95 R 3.7781 8.2016 119.4877 59.5389 30.0786 178.5553 96 L 3.9269 8.0505 118.6996 57.6466 41.5291 179.4964 97 A 3.7122 7.8386 120.4843 54.9150 18.1916 179.4743 98 A 3.4084 7.9509 119.5050 55.2478 18.1847 179.9829 99 I 3.6320 7.4544 117.2099 64.4935 37.5581 177.4851 100 C 4.4275 8.2185 119.5074 59.8001 38.3191 175.6157 101 F 4.2939 8.6099 119.5842 60.6798 38.2082 177.5355 102 A 4.2349 7.9449 119.1145 54.1356 18.2498 178.8138 103 G 3.8842 7.8613 101.2321 43.8209 0.0000 173.3791 104 A 4.6776 7.1852 124.2883 49.7827 20.4349 175.6373 105 P 4.3824 0.0000 0.0000 62.6375 32.0662 175.3695 106 Y 4.1876 8.5117 123.0708 55.8412 39.8443 174.3828 107 N 4.8503 8.5826 127.0537 51.7857 39.6964 174.8768 108 D 4.7291 8.9895 126.8290 57.4987 41.1235 179.0519 109 A 4.0647 8.7310 121.2214 54.4294 18.5805 177.7202 110 N 4.3292 8.1731 112.6219 53.1649 39.0270 174.2962 111 Y 4.3079 7.3307 120.4938 58.2182 39.7034 174.7042 112 N 4.1176 8.0998 125.0430 53.3906 37.6551 173.6567 113 I 3.8941 7.0513 110.0363 60.1457 39.3062 176.5209 114 D 4.4832 8.1976 120.4158 53.2495 40.4856 176.3449 115 L 3.8843 8.2016 127.2807 57.5338 41.6076 178.9587 116 K 3.8543 8.0608 117.6049 59.3686 32.1801 177.9494 117 A 4.2537 8.1302 119.8176 53.5923 18.9605 178.1050 118 R 4.4837 7.9927 113.3032 56.3784 31.3760 175.8205 119 C 4.9956 7.9208 115.5819 56.5664 41.1990 173.7951 120 N 4.5130 8.2946 122.5623 53.6492 38.2360 175.2466 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 1 N 8.28 4.83 0.00 3.06 3.15 0.00 0.00 6.13 5.79 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 2 L 8.26 3.82 0.00 1.59 1.71 0.30 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.79 3.92 0.00 2.96 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 4 Q 8.74 3.84 0.00 1.83 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 5 F 8.43 4.32 0.00 3.19 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 6 K 8.20 3.42 0.00 1.21 1.52 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 0.21 7.81 7 N 7.77 4.30 0.00 2.74 2.84 0.00 0.00 7.07 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 8 M 8.19 4.07 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 9 I 7.58 3.53 1.84 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.04 0.76 0.00 0.00 10 Q 8.00 3.99 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 11 C 7.90 4.50 0.00 3.10 3.25 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 0.00 12 T 7.77 4.11 4.21 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 1.24 0.00 0.00 13 V 7.90 4.51 2.24 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 1.21 0.00 0.00 0.91 0.00 0.00 14 P 0.00 4.51 0.00 2.23 2.29 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 15 S 7.54 4.11 0.00 4.08 4.17 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 *17 R 7.56 4.07 0.00 1.98 1.76 0.00 2.99 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.59 0.00 18 S 8.15 4.23 0.00 3.77 3.76 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 19 W 9.38 4.59 0.00 3.40 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.10 3.19 0.00 1.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 21 D 7.79 4.26 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 4.68 0.00 3.16 2.85 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 0.00 0.00 0.00 23 A 7.93 4.47 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 24 D 7.61 4.98 0.00 2.61 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 0.00 0.00 0.00 0.00 25 Y 8.89 4.74 0.00 2.96 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 26 G 8.06 3.94 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 0.00 0.00 0.00 27 C 9.53 4.39 0.00 3.05 2.96 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 Y 8.58 4.78 0.00 3.26 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 29 C 8.54 4.67 0.00 3.41 3.43 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 30 G 9.12 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.13 4.03 0.00 1.79 1.91 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 32 G 7.59 3.76 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 0.00 0.00 0.00 33 G 7.99 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.12 4.36 0.00 3.91 3.74 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 35 G 8.60 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 0.00 0.00 0.00 36 T 8.32 4.12 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 1.24 0.00 0.00 37 P 0.00 4.77 0.00 2.07 2.02 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 38 V 8.79 3.86 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 0.78 0.00 0.00 0.95 0.00 0.00 39 D 7.42 4.55 0.00 2.89 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 40 D 8.63 4.36 0.00 2.74 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 41 L 7.98 3.94 0.00 1.60 1.66 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.82 4.54 0.00 3.18 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 43 R 8.25 3.85 0.00 2.08 1.96 0.00 3.20 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 44 C 8.33 4.35 0.00 3.47 3.47 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 0.00 45 C 8.28 4.47 0.00 3.38 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 3.45 0.00 1.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 1.97 1.17 0.00 47 V 7.72 3.49 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 0.98 0.00 0.00 0.95 0.00 0.00 48 H 8.15 3.95 0.00 3.24 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.48 4.26 0.00 2.96 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 50 N 8.42 4.38 0.00 2.91 2.86 0.00 0.00 6.71 8.33 0.00 0.00 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 C 8.45 4.28 0.00 3.09 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 52 Y 8.15 4.22 0.00 3.18 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 53 N 8.13 4.81 0.00 2.91 2.92 0.00 0.00 6.91 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 54 E 8.42 4.06 0.00 2.22 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 2.31 2.37 0.00 55 A 8.33 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 4.35 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 57 N 7.90 4.45 0.00 2.88 2.88 0.00 0.00 7.00 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 58 I 7.33 3.87 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.55 0.91 0.00 0.00 59 S 8.72 4.16 0.00 3.82 3.79 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 60 G 8.81 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 61 C 8.07 4.60 0.00 3.00 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 62 R 8.15 4.69 0.00 1.99 2.01 0.00 3.12 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 63 P 0.00 4.02 0.00 1.00 0.75 0.00 3.53 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.86 0.00 64 Y 7.95 4.08 0.00 2.32 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 0.00 0.00 0.00 0.00 65 F 7.23 4.68 0.00 3.00 3.07 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 66 K 8.38 4.00 0.00 1.71 1.78 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.55 7.81 67 T 8.52 4.17 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 1.19 0.00 0.00 68 Y 7.57 4.73 0.00 3.18 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 69 S 9.62 5.09 0.00 3.95 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 70 Y 8.54 5.50 0.00 3.20 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 71 E 9.38 4.39 0.00 1.92 1.73 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 2.15 2.14 0.00 72 C 8.70 5.50 0.00 3.11 2.97 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 73 T 8.72 4.66 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 1.21 0.00 0.00 74 Q 9.88 3.43 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 75 G 8.46 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.85 4.61 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 77 L 8.39 5.27 0.00 1.53 1.63 0.90 0.98 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 78 T 8.95 4.68 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 1.22 0.00 0.00 79 C 8.83 4.90 0.00 2.81 2.96 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 80 K 9.07 4.41 0.00 1.93 1.83 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.43 7.81 81 G 8.76 3.66 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 0.00 0.00 0.00 82 D 8.00 4.66 0.00 2.82 2.80 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 83 N 7.62 4.61 0.00 2.86 2.91 0.00 0.00 6.93 7.88 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 84 N 8.54 4.70 0.00 3.00 3.00 0.00 0.00 6.15 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 85 A 8.43 3.94 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 86 C 8.24 4.14 0.00 3.01 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 87 A 8.80 4.02 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 88 A 8.61 3.90 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 89 S 8.22 4.00 0.00 4.04 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 90 V 7.99 3.53 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 1.02 0.00 0.00 0.85 0.00 0.00 91 C 8.18 2.94 0.00 2.23 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 92 D 8.02 4.16 0.00 2.89 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 93 C 8.27 4.16 0.00 3.20 3.02 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 0.00 0.00 0.00 94 D 8.02 3.79 0.00 2.62 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 95 R 8.20 3.78 0.00 1.77 2.00 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 96 L 8.05 3.93 0.00 1.64 1.64 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.84 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.95 3.41 1.25 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 0.00 0.00 0.00 99 I 7.45 3.63 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.89 0.00 0.00 100 C 8.22 4.43 0.00 3.13 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 0.00 101 F 8.61 4.29 0.00 2.91 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.94 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.86 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 0.00 0.00 0.00 104 A 7.19 4.68 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 0.00 105 P 0.00 4.38 0.00 2.10 2.04 0.00 3.69 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 2.06 2.10 0.00 106 Y 8.51 4.19 0.00 2.85 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 0.00 107 N 8.58 4.85 0.00 2.80 2.69 0.00 0.00 6.75 7.80 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 0.00 108 D 8.99 4.73 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.73 4.06 1.31 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 0.00 110 N 8.17 4.33 0.00 2.05 1.74 0.00 0.00 6.47 7.38 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 0.00 111 Y 7.33 4.31 0.00 3.01 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 0.00 112 N 8.10 4.12 0.00 1.88 2.56 0.00 0.00 7.19 8.77 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 0.00 113 I 7.05 3.89 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.76 0.00 0.00 114 D 8.20 4.48 0.00 2.68 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 0.00 115 L 8.20 3.88 0.00 1.67 1.63 0.87 0.54 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 0.00 116 K 8.06 3.85 0.00 1.72 1.96 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.49 7.81 117 A 8.13 4.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.99 4.48 0.00 1.84 1.90 0.00 3.06 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 119 C 7.92 5.00 0.00 2.99 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 0.00 120 N 8.29 4.51 0.00 2.70 2.71 0.00 0.00 6.98 7.56 0.00 0.00 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.