NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9453 8.0549 120.2854 61.4847 33.0439 174.1441 3 Q 4.4236 8.5516 121.7516 53.8185 31.2420 173.2105 4 L 5.2250 8.5727 122.8555 53.0569 46.0155 175.0009 5 Q 4.7103 8.6791 122.6896 54.7788 32.1587 173.8269 6 E 5.1923 8.9332 126.1011 56.1836 31.6518 175.3986 7 S 4.4153 9.2733 116.1589 57.9001 66.9204 174.9866 8 G 3.9213 9.1948 108.2630 45.1725 0.0000 174.3208 9 G 3.7381 7.2657 108.4050 43.6716 0.0000 170.3952 10 G 3.6625 8.3444 104.9298 43.5922 0.0000 172.6334 11 L 4.7078 8.3427 119.3814 54.9800 42.0141 177.5195 12 V 4.5439 9.3475 122.9041 60.0714 35.5362 174.2114 13 Q 4.6999 8.5238 120.9227 54.4400 30.3379 175.3425 14 A 4.3391 8.6270 126.4398 54.0978 18.9143 176.7299 15 G 4.0630 9.5383 110.3373 45.3194 0.0000 173.8296 16 D 4.8522 7.8603 119.2343 53.5675 42.7949 175.7555 17 S 5.1858 8.3447 114.1085 57.0385 65.8512 173.2598 18 L 4.5724 8.8198 122.2828 53.2777 45.7037 174.6867 19 K 4.6946 8.5308 127.0499 54.8416 33.4436 175.0889 20 L 4.7258 8.2739 128.1931 53.6088 43.8584 176.0327 21 S 5.4881 9.1015 117.6573 55.9056 67.2207 172.5050 22 C 5.2420 9.3231 122.8442 55.0373 44.9590 171.9567 23 E 5.2175 9.1818 128.2343 54.6046 31.2269 174.6240 24 A 5.2130 8.6342 128.4445 50.8945 21.1992 176.3458 25 S 4.5089 8.6701 114.8121 58.0652 67.2423 175.3794 26 G 3.8443 10.7915 110.5917 45.8706 0.0000 172.5039 27 D 4.5083 7.1465 115.7786 53.3387 44.2382 174.3861 28 S 4.6032 8.3925 118.1535 57.9269 63.6102 175.7496 29 I 3.9693 9.0040 125.7334 63.4692 37.9647 178.0054 30 G 3.7331 8.0532 108.0105 47.9554 0.0000 174.2598 31 T 4.0881 7.6529 114.9061 64.1845 68.8601 174.0496 32 Y 4.9267 7.4654 119.0505 55.7755 41.4168 175.6883 33 V 3.9562 9.1835 123.7196 62.9267 33.0805 174.6826 34 I 5.0925 8.8120 128.2090 59.5733 39.9390 174.9244 35 G 3.9799 8.4030 112.7211 43.8995 0.0000 171.4929 36 W 5.3702 8.5303 119.7931 54.7873 32.6370 174.9518 37 F 5.5057 10.0587 121.7919 56.0167 43.6341 173.6765 38 R 5.0314 8.9302 115.5621 54.8054 33.2558 173.8565 39 Q 4.7985 9.0806 121.6510 54.4994 32.3688 174.0962 40 A 4.6717 8.6342 127.7806 50.1932 20.7904 174.6892 41 P 4.2092 0.0000 0.0000 64.4704 31.6858 177.5618 42 G 3.9480 8.9372 110.9468 45.3793 0.0000 173.1793 43 K 4.3982 7.8463 119.1025 55.1659 34.6248 175.4537 44 E 4.4238 8.2228 116.9953 55.3402 31.2791 176.3028 45 R 4.3658 8.3239 119.8725 56.3626 30.8747 176.0873 46 I 4.7018 8.8765 125.5428 59.3670 39.6756 174.7101 47 Y 3.0443 8.8634 127.9422 58.0395 38.9972 174.3200 48 L 4.4255 7.6025 124.5061 55.6556 44.4955 176.0936 49 A 4.6154 6.5155 117.2567 51.3222 23.0962 174.5165 50 T 5.2311 8.9332 115.2141 62.0177 73.3478 173.3918 51 I 4.9622 9.0557 125.7128 59.1106 40.8383 175.3269 52 G 4.2235 9.4711 117.5216 45.9128 0.0000 173.8576 53 R 4.1567 8.7294 118.9520 58.1424 30.5380 176.5948 54 N 5.1629 8.0062 113.7868 51.1358 41.5390 173.5067 55 L 4.8843 8.1379 118.8532 54.6398 42.6035 177.4801 56 V 4.4364 7.9837 111.5296 60.8532 32.7991 175.8585 57 G 4.0709 7.1902 107.7207 44.6868 0.0000 172.0668 58 P 4.3669 0.0000 0.0000 64.9683 31.5109 177.2003 59 S 4.4380 7.3469 109.6201 59.4433 65.5135 174.5752 60 D 4.5096 7.7515 119.4950 53.9650 41.3008 176.0538 61 F 4.8613 8.4459 121.7183 56.2840 40.7067 174.7645 62 Y 4.4447 8.7976 123.9186 58.2942 39.5064 174.7811 63 T 4.9375 7.3036 114.4957 60.4765 72.3227 172.7483 64 R 4.6276 8.1683 121.5717 55.4832 33.9751 173.2635 65 Y 5.3305 8.4940 120.9088 55.9678 42.1643 175.1119 66 A 4.4533 9.1041 124.3037 51.8782 18.1925 178.7172 67 D 4.4017 8.9655 119.6890 57.2555 41.2520 179.3340 68 S 4.3706 8.1714 112.8598 60.6313 63.0217 175.1644 69 V 3.8959 7.1510 110.9409 59.6904 33.0095 175.1521 70 K 3.6183 7.7507 122.1170 58.2278 32.0895 176.6902 71 G 3.8853 8.6444 114.9482 44.8608 0.0000 173.3412 72 R 4.4972 8.3345 119.2187 56.3248 32.6457 175.5282 73 F 5.6281 8.0829 115.5072 55.5289 42.2099 175.0746 74 A 4.8841 8.9008 123.2902 50.3199 21.9158 175.3783 75 V 4.8958 9.4216 123.7151 60.6248 33.3915 175.7075 76 S 4.8897 9.2625 116.9424 56.9091 67.0367 172.4488 77 R 4.7078 8.6140 120.2986 54.7105 32.6416 174.9463 78 D 4.7882 9.2482 125.5208 52.0445 40.8450 175.3321 79 N 4.2849 8.6433 120.6137 55.6687 39.2490 177.3178 80 A 4.0836 8.1529 119.8040 54.5869 18.4859 178.0379 81 K 4.4139 8.1564 112.1766 55.3357 32.6040 175.3990 82 N 4.2713 8.5342 117.0739 54.8829 38.1723 173.3851 83 T 5.2464 8.0730 110.2855 61.4468 73.5435 173.5020 84 V 4.8571 8.6559 123.2519 61.3442 34.9763 174.2400 85 N 5.7124 9.3832 124.4258 51.5194 42.5903 173.6262 86 L 4.4465 8.4517 122.0558 53.3364 45.0632 175.1259 87 Q 4.2581 9.1497 129.9195 55.5560 30.3221 174.1934 88 M 4.0856 8.7322 127.5288 53.5879 33.7560 175.3324 89 N 4.9921 8.7139 120.9904 50.9973 41.6019 174.8005 90 S 3.8227 8.3525 114.3501 59.7196 60.6017 172.9077 91 L 4.4887 7.8773 120.6588 54.8624 42.5898 177.2554 92 K 4.9058 9.3022 120.1388 54.3031 35.8154 175.3640 93 P 3.7139 0.0000 0.0000 66.0189 30.9550 178.1872 94 E 4.0446 8.1122 117.1584 58.9520 29.5386 177.3046 95 D 4.7233 8.9517 118.0118 55.4704 41.2944 176.6563 96 T 4.3445 7.7319 117.3818 63.6240 68.9042 173.7532 97 A 4.4128 8.4704 128.6739 51.9246 23.6786 175.1876 98 V 4.4713 7.7476 113.0740 61.1587 32.8977 175.4900 99 Y 5.0160 9.4016 123.8954 56.9979 40.0971 174.4545 100 Y 5.6230 9.8202 120.3312 56.4241 42.8761 171.9341 101 C 4.9585 9.5417 115.4758 53.5574 46.3020 172.6875 102 A 4.7630 8.0297 121.2212 50.2758 22.8973 174.4211 103 A 5.7825 8.8473 119.2686 50.0040 23.2781 175.3805 104 K 4.8769 8.4700 117.5959 57.0117 35.5948 175.6579 105 T 4.4519 8.3802 108.1717 61.3380 69.9763 174.5442 106 T 4.1026 7.3859 112.4242 61.9469 69.4990 173.9236 107 T 4.3802 8.2470 111.3119 60.6969 69.1258 173.8360 108 W 4.9495 6.9156 117.3183 56.7418 30.9399 174.0501 109 G 3.8723 9.2053 104.1841 46.3043 0.0000 175.9044 110 G 3.9525 8.1419 110.6379 48.5134 0.0000 175.3206 111 N 4.0288 7.9839 116.3059 55.7344 38.9606 174.8208 112 D 4.8090 8.1074 119.3276 52.6459 41.7888 175.1844 113 P 4.5873 0.0000 0.0000 65.8404 31.4671 177.9485 114 N 4.6203 8.7583 115.6617 55.3407 38.4570 175.4699 115 N 4.4707 8.2284 114.5475 53.6586 39.1043 175.1842 116 W 4.2641 7.8845 118.9175 55.6798 30.2304 176.1218 117 N 4.2433 8.5806 121.4526 56.0977 38.2076 174.9895 118 Y 4.9327 7.6343 115.2721 55.9189 41.7350 174.4164 119 W 5.3390 8.8070 120.5901 54.9197 33.0755 175.3120 120 G 4.3841 8.6934 109.8841 44.5686 0.0000 174.9266 121 Q 4.2235 8.7403 118.4827 57.1751 29.0068 177.8625 122 G 3.6007 8.2341 100.4143 45.0703 0.0000 172.8593 123 T 4.6241 8.4320 115.7311 61.4005 72.6319 173.3621 124 Q 4.4375 8.7194 127.6308 55.9419 30.9162 174.6094 125 V 4.7786 8.8207 125.3633 61.5333 34.6016 174.0620 126 T 5.0705 8.6515 124.6728 61.5538 71.6407 175.0441 127 V 5.0581 8.4607 124.3668 60.9376 31.5479 175.3047 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 V 8.05 3.95 1.50 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 -0.13 0.00 0.00 0.77 0.00 0.00 3 Q 8.55 4.42 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 4 L 8.57 5.23 0.00 1.52 1.42 0.73 0.47 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 5 Q 8.68 4.71 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 6 E 8.93 5.19 0.00 2.09 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 2.56 2.37 0.00 7 S 9.27 4.42 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 8 G 9.19 3.92 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 0.00 0.00 0.00 9 G 7.27 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 0.00 0.00 0.00 10 G 8.34 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 11 L 8.34 4.71 0.00 1.53 1.61 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 12 V 9.35 4.54 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 0.89 0.00 0.00 0.87 0.00 0.00 13 Q 8.52 4.70 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 14 A 8.63 4.34 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 15 G 9.54 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 16 D 7.86 4.85 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 17 S 8.34 5.19 0.00 3.94 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 18 L 8.82 4.57 0.00 1.50 1.20 0.85 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.53 4.69 0.00 1.85 1.59 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.33 7.81 20 L 8.27 4.73 0.00 0.86 1.35 0.33 0.66 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 21 S 9.10 5.49 0.00 3.76 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 22 C 9.32 5.24 0.00 2.67 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 23 E 9.18 5.22 0.00 2.08 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 2.21 2.24 0.00 24 A 8.63 5.21 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.67 4.51 0.00 3.68 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 26 G 10.79 3.84 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 0.00 0.00 0.00 27 D 7.15 4.51 0.00 2.61 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 28 S 8.39 4.60 0.00 3.94 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 29 I 9.00 3.97 1.88 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 1.21 1.23 0.92 0.00 0.00 30 G 8.05 3.73 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 0.00 31 T 7.65 4.09 3.92 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 0.71 0.00 0.00 32 Y 7.47 4.93 0.00 2.88 2.95 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 33 V 9.18 3.96 2.06 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 1.09 0.00 0.00 0.93 0.00 0.00 34 I 8.81 5.09 1.85 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 1.09 0.53 0.56 0.00 0.00 35 G 8.40 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 0.00 0.00 0.00 36 W 8.53 5.37 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 37 F 10.06 5.51 0.00 3.20 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 38 R 8.93 5.03 0.00 0.90 1.13 0.00 2.49 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 39 Q 9.08 4.80 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 40 A 8.63 4.67 1.26 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 0.00 0.00 0.00 41 P 0.00 4.21 0.00 2.06 2.05 0.00 3.76 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 2.05 2.13 0.00 42 G 8.94 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 0.00 0.00 0.00 43 K 7.85 4.40 0.00 1.87 1.86 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.37 7.81 44 E 8.22 4.42 0.00 1.98 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 2.27 2.39 0.00 45 R 8.32 4.37 0.00 1.50 1.90 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.00 46 I 8.88 4.70 1.93 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 1.20 1.01 0.98 0.00 0.00 47 Y 8.86 3.04 0.00 2.92 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 48 L 7.60 4.43 0.00 1.63 1.64 0.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 49 A 6.52 4.62 1.10 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 50 T 8.93 5.23 4.56 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 0.00 0.00 0.00 1.58 0.00 0.00 51 I 9.06 4.96 1.92 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 1.07 1.73 0.99 0.00 0.00 52 G 9.47 4.22 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 0.00 53 R 8.73 4.16 0.00 1.85 2.12 0.00 3.08 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 54 N 8.01 5.16 0.00 2.79 2.78 0.00 0.00 7.15 6.74 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 55 L 8.14 4.88 0.00 1.58 1.73 0.36 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.98 4.44 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 0.91 0.00 0.00 1.06 0.00 0.00 57 G 7.19 4.07 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 0.00 0.00 0.00 58 P 0.00 4.37 0.00 2.16 2.18 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 59 S 7.35 4.44 0.00 3.84 3.85 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 60 D 7.75 4.51 0.00 2.74 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 61 F 8.45 4.86 0.00 3.09 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 62 Y 8.80 4.44 0.00 3.24 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 63 T 7.30 4.94 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 1.29 0.00 0.00 64 R 8.17 4.63 0.00 1.84 1.89 0.00 3.16 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 65 Y 8.49 5.33 0.00 2.86 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 66 A 9.10 4.45 1.37 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 67 D 8.97 4.40 0.00 2.74 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 68 S 8.17 4.37 0.00 3.89 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 69 V 7.15 3.90 1.07 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 -0.17 0.00 0.00 0.83 0.00 0.00 70 K 7.75 3.62 0.00 1.91 1.72 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.38 7.81 71 G 8.64 3.89 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 0.00 0.00 0.00 72 R 8.33 4.50 0.00 1.74 1.80 0.00 3.14 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 73 F 8.08 5.63 0.00 2.75 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 74 A 8.90 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 9.42 4.90 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 0.65 0.00 0.00 1.21 0.00 0.00 76 S 9.26 4.89 0.00 3.91 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 77 R 8.61 4.71 0.00 1.44 1.16 0.00 2.21 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 0.00 78 D 9.25 4.79 0.00 2.73 2.60 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 79 N 8.64 4.28 0.00 2.86 2.89 0.00 0.00 6.87 7.54 0.00 0.00 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 A 8.15 4.08 1.37 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 81 K 8.16 4.41 0.00 1.76 1.83 0.00 2.10 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 82 N 8.53 4.27 0.00 2.87 2.80 0.00 0.00 6.96 7.26 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 83 T 8.07 5.25 4.27 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 1.33 0.00 0.00 84 V 8.66 4.86 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 1.25 0.00 0.00 0.90 0.00 0.00 85 N 9.38 5.71 0.00 2.66 2.65 0.00 0.00 6.09 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 86 L 8.45 4.45 0.00 0.27 0.13 0.75 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 9.15 4.26 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 88 M 8.73 4.09 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.89 0.00 89 N 8.71 4.99 0.00 2.76 2.70 0.00 0.00 7.32 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 90 S 8.35 3.82 0.00 3.96 3.86 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 91 L 7.88 4.49 0.00 1.78 1.59 0.82 0.57 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 92 K 9.30 4.91 0.00 1.86 1.86 0.00 1.44 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.49 7.81 93 P 0.00 3.71 0.00 2.25 2.41 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 94 E 8.11 4.04 0.00 1.99 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 2.32 2.40 0.00 95 D 8.95 4.72 0.00 2.76 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 96 T 7.73 4.34 4.39 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 1.25 0.00 0.00 97 A 8.47 4.41 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 98 V 7.75 4.47 1.75 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 0.68 0.00 0.00 1.11 0.00 0.00 99 Y 9.40 5.02 0.00 2.95 3.14 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 0.00 0.00 0.00 100 Y 9.82 5.62 0.00 3.18 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 0.00 101 C 9.54 4.96 0.00 1.89 1.21 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 0.00 102 A 8.03 4.76 -0.60 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 0.00 0.00 103 A 8.85 5.78 1.09 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 0.00 0.00 104 K 8.47 4.88 0.00 1.42 1.50 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.74 7.81 105 T 8.38 4.45 4.13 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 1.08 0.00 0.00 106 T 7.39 4.10 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 1.18 0.00 0.00 107 T 8.25 4.38 4.14 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 0.00 0.00 1.13 0.00 0.00 108 W 6.92 4.95 0.00 3.52 3.03 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 0.00 109 G 9.21 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 0.00 0.00 0.00 110 G 8.14 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 0.00 0.00 0.00 111 N 7.98 4.03 0.00 2.64 2.89 0.00 0.00 6.84 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 0.00 112 D 8.11 4.81 0.00 2.79 2.68 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 0.00 113 P 0.00 4.59 0.00 2.14 2.19 0.00 3.95 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 114 N 8.76 4.62 0.00 2.96 2.98 0.00 0.00 7.01 8.85 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 0.00 115 N 8.23 4.47 0.00 2.71 2.18 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 0.00 116 W 7.88 4.26 0.00 2.88 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 0.00 117 N 8.58 4.24 0.00 2.48 2.02 0.00 0.00 6.79 7.57 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 0.00 118 Y 7.63 4.93 0.00 2.78 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 0.00 119 W 8.81 5.34 0.00 3.01 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 0.00 120 G 8.69 4.38 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 0.00 121 Q 8.74 4.22 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 122 G 8.23 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 0.00 0.00 0.00 123 T 8.43 4.62 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 1.22 0.00 0.00 124 Q 8.72 4.44 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 125 V 8.82 4.78 2.33 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 0.78 0.00 0.00 0.63 0.00 0.00 126 T 8.65 5.07 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 1.22 0.00 0.00 127 V 8.46 5.06 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 0.90 0.00 0.00 0.95 0.00 0.00