NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 R 4.0884 8.0976 119.6656 56.1834 32.3420 177.2735 -6 E 2.0000 7.4639 115.0436 57.4011 29.3218 176.8891 -5 N 4.3560 8.4351 117.4055 55.1239 39.7155 176.6209 -4 L 4.4991 7.5685 116.4463 53.5220 42.3532 176.3992 -3 Y 4.0055 6.9438 117.3441 58.9094 38.0813 176.3755 -2 F 4.1077 8.0089 119.0624 58.4952 36.9597 176.1823 -1 Q 4.1788 7.7220 117.8053 56.9959 28.4826 176.3243 0 G 3.6812 7.6067 108.3599 45.6561 0.0000 172.6089 -5 T 3.9660 8.1851 112.3055 63.8239 70.6155 176.1209 -4 E 4.5091 7.8285 114.8463 55.0220 29.8532 175.3992 -3 V 3.5755 6.8538 116.2441 63.2094 33.1813 176.7755 -2 N 4.2277 8.1089 117.4624 53.8952 36.2597 175.5823 -1 L 4.1788 7.5620 119.8053 56.3959 41.4826 177.9243 0 N 4.4612 7.6767 118.2599 53.6561 37.2253 172.9089 8 I 4.4451 8.8549 126.5455 59.2318 39.7701 174.9060 9 Y 4.2070 8.7121 129.3968 57.6837 40.0283 174.2093 10 S 4.4548 8.3351 122.7674 55.9466 63.2430 173.0640 11 P 4.1514 0.0000 0.0000 65.1915 31.5882 178.2167 12 R 3.6333 7.4352 118.2141 58.6163 29.8037 177.2701 13 W 4.7156 7.4679 113.9929 55.8589 29.7070 176.4778 14 G 4.3672 8.4791 106.8305 45.9531 0.0000 173.4516 15 R 4.8181 6.9331 113.2858 54.8007 32.8730 173.4825 16 H 4.8779 9.0103 117.7072 56.0699 29.5414 174.7192 17 E 4.7855 9.7732 123.2789 54.8518 32.5378 175.2857 18 T 5.3944 8.5051 120.2888 63.4336 69.4051 173.6400 19 Y 4.6382 8.8826 124.8927 56.5362 39.6993 175.2171 20 I 4.4257 8.9657 126.4957 60.0743 39.0389 174.9976 21 V 4.6848 8.4865 127.8155 61.5258 32.4687 174.6380 22 E 4.4192 9.2797 129.2378 55.0262 30.5227 175.7580 23 L 4.3349 8.0945 124.9719 53.2933 42.7228 175.6346 24 H 5.1145 9.0597 120.4816 53.5115 32.6865 174.8748 25 K 4.1401 9.0862 120.9084 59.7397 32.4166 177.8467 26 D 4.9069 8.3330 118.0871 56.5842 42.2431 175.0272 27 Y 5.0554 7.3508 116.6232 57.4073 41.7757 172.4795 *29 E 4.5514 8.4065 117.0486 56.4947 31.7036 174.9308 30 I 5.0296 8.8303 124.0176 59.9804 40.7376 174.9765 31 S 5.6487 8.5172 122.8289 56.7347 67.4535 174.7439 *33 G 3.8280 8.9725 110.8428 45.9380 0.0000 174.0505 34 A 4.4688 9.0759 127.2784 51.9266 21.4570 178.4593 35 V 4.0328 7.3993 116.1570 62.4265 32.5707 174.6274 36 T 5.2726 8.2322 122.0205 61.8502 72.0604 173.1067 37 I 4.7496 8.8148 119.0271 59.1213 41.4514 174.2574 38 K 4.7768 8.9906 122.8804 54.8461 35.9681 174.4275 39 A 4.4549 7.7309 128.0371 49.8931 21.4703 175.3062 40 T 4.9999 8.6654 111.6813 59.9322 72.6287 172.7265 41 Y 4.9509 9.0217 125.7710 56.5044 39.1036 175.5197 42 S 4.4162 9.0355 122.6513 57.5918 63.9506 175.0558 43 E 3.8715 8.6045 121.4578 59.0901 29.4039 176.8536 44 N 4.5902 8.0619 114.7837 53.1113 38.9625 174.0715 45 Q 3.2404 7.9560 114.2797 57.7133 26.7849 172.9202 46 D 4.8816 7.2138 116.1768 51.5876 44.2231 174.7267 47 P 4.9801 0.0000 0.0000 62.7697 32.5705 175.5230 48 E 4.7538 9.3262 123.9215 54.6123 32.9249 174.3121 49 W 5.2793 8.9832 126.4619 54.7891 31.5875 175.8842 50 S 4.3622 8.9037 117.7014 58.3964 62.8955 174.3146 51 E 4.0534 8.8368 120.9206 59.0952 29.5980 177.0596 52 E 4.2171 8.1152 118.9727 56.1347 30.3110 175.5709 53 T 4.5153 8.3249 115.3479 59.1775 71.6018 175.0914 54 L 3.8082 8.0933 123.0616 58.3031 42.2731 177.7927 55 Q 4.0794 8.1455 116.1372 59.3415 28.8202 177.7371 56 D 4.5228 7.7213 115.6854 57.8305 40.8993 179.0212 57 I 3.7270 7.4878 114.9849 62.9115 36.9445 177.4903 *59 N 4.2971 8.0872 120.1314 53.2040 40.1966 176.0322 60 N 4.3739 7.8120 115.3189 55.6159 39.1889 174.9382 61 D 4.6331 7.9380 116.4510 53.6645 41.2450 176.5039 62 S 3.5164 7.5024 113.9312 59.3940 60.7730 171.6454 63 V 4.0451 7.2189 118.9603 61.3541 32.6763 175.2651 64 Y 4.5655 8.0160 125.0236 55.4049 37.9050 173.3679 65 P 4.3808 0.0000 0.0000 60.5269 33.2313 175.2093 66 P 4.2341 0.0000 0.0000 62.6337 31.6625 177.4248 67 E 3.9424 8.7618 121.9000 59.1320 29.8445 177.7613 68 I 4.1632 7.7580 110.1262 61.6927 38.6121 177.5312 69 T 4.0811 8.1474 119.8188 67.2737 68.2880 175.9617 70 Q 3.8163 7.9815 120.7758 59.1074 28.9150 177.6745 71 N 4.5168 8.0762 117.7355 56.5231 39.0489 176.7366 72 L 4.1453 8.2250 120.6112 57.8705 41.7713 179.3375 73 F 4.0998 8.7253 117.8123 60.5853 38.8911 177.4488 74 Q 4.5577 8.7394 119.1298 59.7563 28.9602 177.7940 75 H 4.2423 8.7916 119.1060 59.2838 29.9039 176.7290 76 A 3.9978 8.2628 122.5555 55.1000 18.1730 179.4184 77 W 4.3126 8.4565 126.5495 60.8360 30.9412 178.1182 78 L 3.4704 8.5189 119.2701 57.7152 40.9805 179.4771 79 E 3.9696 8.3799 118.6380 58.7926 29.4434 179.0855 80 W 4.2390 8.4309 128.7892 60.5303 30.6520 178.3116 81 R 3.2875 8.4263 114.6357 58.1644 28.8505 177.2692 82 K 4.2265 7.3680 115.3398 56.3156 32.5905 177.3527 83 G 3.6305 7.8778 106.9058 45.6754 0.0000 174.8549 84 A 4.1058 7.6623 122.4731 53.6820 18.7101 178.1299 85 L 4.9505 7.4761 114.7679 52.3481 45.4574 176.7793 86 D 5.5258 9.1919 123.6650 52.4845 42.3509 177.2302 87 N 4.5690 8.7329 115.8227 56.8184 38.4693 177.0726 88 D 4.3746 8.1939 118.8875 57.1685 41.3810 178.0309 89 E 4.0052 9.1938 119.9565 59.3445 29.4445 179.6172 90 V 3.7524 8.0215 119.2158 64.9661 31.2158 178.5791 91 T 3.7797 7.6896 116.2415 66.5704 68.4294 176.7182 92 R 3.9048 7.9639 119.8030 59.3980 29.8492 179.0868 93 E 3.9680 8.6080 118.7248 59.3869 29.4704 179.4430 94 L 3.7838 8.1897 119.3896 57.7232 41.5458 179.3670 95 E 4.0141 8.4573 118.8085 59.3668 29.3048 179.4129 96 L 4.0154 7.8900 119.0079 57.6028 41.5246 179.7325 97 V 3.7413 7.4835 117.9303 65.9537 31.4803 177.9011 98 A 4.0287 8.0666 120.5697 55.2492 18.1636 179.2763 99 Q 3.9570 8.5134 118.4129 59.0152 29.0103 178.3403 100 W 4.4183 8.3824 129.3502 60.7721 30.8336 177.9693 101 V 3.2849 8.1687 118.3339 66.1535 30.7598 177.7610 102 N 4.4149 8.4323 116.2056 56.1137 38.4447 177.5808 103 K 3.9587 8.3312 120.1234 59.3097 31.9268 179.3420 104 V 3.4906 7.6773 117.6872 66.4033 31.6917 177.9045 105 T 3.9757 7.8494 115.1521 66.7276 68.1233 176.2324 106 E 3.8960 8.2842 119.8280 58.6944 29.6246 177.7110 107 A 4.4397 7.4155 117.8602 50.5505 19.5884 177.2603 108 K 3.7487 7.2993 117.6905 56.1705 32.6743 175.2009 109 P 4.4380 0.0000 0.0000 63.2849 31.6287 175.9429 110 N 5.2104 8.5780 120.6558 51.9027 38.1271 175.3636 111 S 4.4730 8.4154 113.2172 59.2093 65.4055 173.2385 112 D 4.4527 8.8151 122.6366 57.7666 40.3062 179.0538 113 F 4.0156 8.1419 119.0809 61.3500 39.6588 176.8556 114 W 4.5605 8.2735 118.4321 59.7937 28.6423 178.7556 115 R 4.0125 8.5720 117.8718 59.3339 29.5510 178.9609 116 K 4.1018 7.8610 116.9140 58.8539 31.9899 178.0589 117 Y 4.4389 7.8872 119.3869 59.2515 39.3259 175.0969 118 F 4.3467 8.3038 117.7909 57.4567 37.3812 173.4175 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 -7 R 8.10 4.09 0.00 1.64 1.91 0.00 3.02 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 -6 E 7.46 2.00 0.00 1.90 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 2.18 2.25 0.00 -5 N 8.44 4.36 0.00 2.59 2.82 0.00 0.00 6.86 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 -4 L 7.57 4.50 0.00 1.44 1.43 0.79 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 6.94 4.01 0.00 2.43 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 0.00 0.00 0.00 -2 F 8.01 4.11 0.00 3.25 3.09 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 0.00 0.00 0.00 -1 Q 7.72 4.18 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 1.97 2.32 0.00 0 G 7.61 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 0.00 0.00 0.00 -5 T 8.19 3.97 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 1.21 0.00 0.00 -4 E 7.83 4.51 0.00 1.88 1.77 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 2.26 2.25 0.00 -3 V 6.85 3.58 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 1.00 0.00 0.00 0.93 0.00 0.00 -2 N 8.11 4.23 0.00 2.94 2.80 0.00 0.00 6.99 7.69 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 -1 L 7.56 4.18 0.00 1.75 2.00 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0 N 7.68 4.46 0.00 2.60 2.64 0.00 0.00 6.66 7.71 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 8 I 8.85 4.45 1.91 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 0.95 0.33 0.75 0.00 0.00 9 Y 8.71 4.21 0.00 2.87 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 10 S 8.34 4.45 0.00 3.90 3.83 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 11 P 0.00 4.15 0.00 1.98 2.11 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 12 R 7.44 3.63 0.00 1.34 1.39 0.00 2.87 0.00 0.00 2.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 13 W 7.47 4.72 0.00 3.26 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 14 G 8.48 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 0.00 0.00 0.00 0.00 15 R 6.93 4.82 0.00 1.92 2.06 0.00 2.99 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 16 H 9.01 4.88 0.00 3.13 3.39 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 9.77 4.79 0.00 1.99 1.84 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 2.29 2.53 0.00 18 T 8.51 5.39 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 1.25 0.00 0.00 19 Y 8.88 4.64 0.00 2.83 2.99 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 20 I 8.97 4.43 1.88 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 1.13 0.70 0.92 0.00 0.00 21 V 8.49 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 0.82 0.00 0.00 1.19 0.00 0.00 22 E 9.28 4.42 0.00 1.85 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 2.27 2.29 0.00 23 L 8.09 4.33 0.00 0.63 0.18 0.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 24 H 9.06 5.11 0.00 2.33 3.03 0.00 5.62 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 25 K 9.09 4.14 0.00 1.65 1.90 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.62 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.38 1.31 7.81 26 D 8.33 4.91 0.00 3.16 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 27 Y 7.35 5.06 0.00 3.09 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 *29 E 8.41 4.55 0.00 2.07 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 2.33 2.66 0.00 30 I 8.83 5.03 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 1.02 0.00 0.00 31 S 8.52 5.65 0.00 3.66 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 *33 G 8.97 3.83 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 0.00 0.00 0.00 34 A 9.08 4.47 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 35 V 7.40 4.03 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 0.98 0.00 0.00 0.90 0.00 0.00 36 T 8.23 5.27 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 1.26 0.00 0.00 37 I 8.81 4.75 2.17 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 1.41 1.64 0.97 0.00 0.00 38 K 8.99 4.78 0.00 1.75 1.55 0.00 1.17 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.16 1.25 7.81 39 A 7.73 4.45 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.67 5.00 4.33 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 1.14 0.00 0.00 41 Y 9.02 4.95 0.00 3.16 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 42 S 9.04 4.42 0.00 3.96 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 43 E 8.60 3.87 0.00 1.96 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 0.00 2.30 2.32 0.00 44 N 8.06 4.59 0.00 2.67 2.74 0.00 0.00 7.02 7.08 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 45 Q 7.96 3.24 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.37 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 46 D 7.21 4.88 0.00 2.47 2.45 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 47 P 0.00 4.98 0.00 2.29 2.38 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 48 E 9.33 4.75 0.00 1.98 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 2.24 2.32 0.00 49 W 8.98 5.28 0.00 3.22 3.16 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 50 S 8.90 4.36 0.00 3.92 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 51 E 8.84 4.05 0.00 1.95 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 2.30 2.37 0.00 52 E 8.12 4.22 0.00 1.96 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 2.29 2.36 0.00 53 T 8.32 4.52 4.05 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 1.17 0.00 0.00 54 L 8.09 3.81 0.00 1.23 1.44 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.15 4.08 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 56 D 7.72 4.52 0.00 2.83 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 57 I 7.49 3.73 2.08 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 1.28 0.81 0.97 0.00 0.00 *59 N 8.09 4.30 0.00 2.79 2.90 0.00 0.00 6.69 6.92 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 60 N 7.81 4.37 0.00 2.76 2.96 0.00 0.00 7.14 8.36 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 61 D 7.94 4.63 0.00 2.75 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 62 S 7.50 3.52 0.00 3.91 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 63 V 7.22 4.05 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 0.67 0.00 0.00 0.91 0.00 0.00 64 Y 8.02 4.57 0.00 3.01 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 65 P 0.00 4.38 0.00 1.98 1.85 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.93 0.00 66 P 0.00 4.23 0.00 2.10 2.01 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.51 0.00 67 E 8.76 3.94 0.00 1.90 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 2.29 2.36 0.00 68 I 7.76 4.16 1.99 0.00 0.00 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 1.62 0.63 0.98 0.00 0.00 69 T 8.15 4.08 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 1.38 0.00 0.00 70 Q 7.98 3.82 0.00 1.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 71 N 8.08 4.52 0.00 2.86 3.10 0.00 0.00 7.23 6.66 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 72 L 8.23 4.15 0.00 2.19 1.83 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.73 4.10 0.00 3.48 3.41 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 74 Q 8.74 4.56 0.00 2.85 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.98 0.00 75 H 8.79 4.24 0.00 3.40 3.56 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.26 4.00 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.46 4.31 0.00 3.44 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 78 L 8.52 3.47 0.00 1.80 1.58 1.07 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.38 3.97 0.00 1.93 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 2.21 2.26 0.00 80 W 8.43 4.24 0.00 3.39 3.44 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 0.00 0.00 0.00 0.00 81 R 8.43 3.29 0.00 1.63 1.98 0.00 2.21 0.00 0.00 2.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.07 0.00 82 K 7.37 4.23 0.00 1.93 1.73 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.23 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.28 7.81 83 G 7.88 3.63 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 0.00 0.00 0.00 84 A 7.66 4.11 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 85 L 7.48 4.95 0.00 1.77 1.66 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.19 5.53 0.00 2.96 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 87 N 8.73 4.57 0.00 2.86 3.01 0.00 0.00 6.48 8.08 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 88 D 8.19 4.37 0.00 2.81 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 89 E 9.19 4.01 0.00 2.18 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 2.34 2.46 0.00 90 V 8.02 3.75 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 0.74 0.00 0.00 0.86 0.00 0.00 91 T 7.69 3.78 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 1.23 0.00 0.00 92 R 7.96 3.90 0.00 1.96 1.97 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.82 0.00 93 E 8.61 3.97 0.00 1.92 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 2.55 2.50 0.00 94 L 8.19 3.78 0.00 1.77 1.52 0.80 0.46 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 95 E 8.46 4.01 0.00 2.15 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 2.33 2.54 0.00 96 L 7.89 4.02 0.00 1.89 1.70 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.48 3.74 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 1.35 0.00 0.00 0.96 0.00 0.00 98 A 8.07 4.03 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 99 Q 8.51 3.96 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 100 W 8.38 4.42 0.00 3.50 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 0.00 101 V 8.17 3.28 2.19 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 0.85 0.00 0.00 0.91 0.00 0.00 102 N 8.43 4.41 0.00 3.01 2.89 0.00 0.00 7.02 7.89 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 0.00 103 K 8.33 3.96 0.00 2.08 1.94 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.51 7.81 104 V 7.68 3.49 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 0.68 0.00 0.00 0.37 0.00 0.00 105 T 7.85 3.98 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 1.31 0.00 0.00 106 E 8.28 3.90 0.00 1.95 2.19 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 2.29 2.26 0.00 107 A 7.42 4.44 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 0.00 108 K 7.30 3.75 0.00 1.83 1.57 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.86 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.35 1.34 7.81 109 P 0.00 4.44 0.00 1.95 2.01 0.00 3.76 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 1.69 1.99 0.00 110 N 8.58 5.21 0.00 2.81 2.85 0.00 0.00 6.20 7.64 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 0.00 111 S 8.42 4.47 0.00 4.20 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 0.00 112 D 8.82 4.45 0.00 2.76 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 0.00 113 F 8.14 4.02 0.00 2.79 2.81 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 0.00 114 W 8.27 4.56 0.00 3.63 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 0.00 115 R 8.57 4.01 0.00 2.02 2.05 0.00 3.40 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 116 K 7.86 4.10 0.00 1.76 1.82 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.68 7.81 117 Y 7.89 4.44 0.00 2.68 3.33 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 0.00 118 F 8.30 4.35 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.