NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.5046 8.4444 118.7916 56.3089 31.0772 174.5166 2 W 5.1903 9.2107 128.2403 55.9786 34.0637 173.9493 3 T 3.4582 9.1979 122.3200 66.6765 68.8076 174.3782 4 G 2.4352 5.3800 106.7402 44.5177 0.0000 173.3016 5 D 4.4371 7.7024 120.3452 54.3750 41.8851 177.0058 6 A 4.6226 8.2404 124.9072 51.1815 16.7173 175.6540 7 R 4.8486 7.0814 120.2704 53.1268 34.8550 174.9116 8 D 4.2990 8.5516 119.0526 54.2272 41.4666 175.2054 9 G 3.7108 7.6520 114.7582 47.1397 0.0000 173.0116 *11 F 4.8181 8.3473 122.1502 57.5874 40.4954 174.7973 12 S 4.8386 8.6500 119.3328 57.7149 64.8951 173.4423 13 G 3.8838 8.4111 108.0631 46.9782 0.0000 173.8115 14 V 4.5588 7.9703 112.6421 59.3915 34.2254 175.6627 15 V 4.3334 8.2272 124.7520 61.9002 33.0389 174.9530 16 I 4.5603 8.5526 129.3927 61.6665 36.9076 175.5309 17 T 4.8089 9.0421 117.3489 61.6185 70.7905 174.4002 18 Q 4.8107 8.0936 120.2310 54.1928 33.4688 173.9372 19 F 5.0291 8.4819 122.9242 57.0919 42.5327 172.9966 20 H 5.1625 9.2475 125.1144 54.7325 33.4159 171.7504 21 T 4.8006 8.3013 118.0722 60.8676 70.7696 173.3871 22 G 3.8321 7.2257 112.0877 45.9212 0.0000 171.5915 23 Q 5.1384 8.5929 119.6191 54.5029 32.5925 175.2510 24 I 4.4407 8.7004 123.0907 60.7839 41.2114 174.3784 25 D 4.0945 9.4574 127.6453 55.5802 39.1887 173.3194 26 N 4.3323 8.5003 112.4166 53.4868 37.9938 172.8583 27 K 4.4862 7.5935 116.5170 53.8880 34.4744 174.2694 28 P 4.7781 0.0000 0.0000 62.9459 32.1115 174.7330 29 Y 5.5000 8.2068 118.3144 56.0257 42.0373 173.3944 30 F 5.4721 9.2187 113.7110 55.5868 41.9743 172.8554 31 C 5.4971 9.4665 117.2713 55.1793 38.8659 173.1459 32 I 5.0717 8.5838 114.6579 59.0639 41.0908 173.7334 33 E 5.0558 8.9568 123.7534 54.4963 32.9826 174.7308 34 G 4.5555 9.0974 112.4609 44.4249 0.0000 171.2096 35 K 5.2611 8.3629 120.5716 54.4104 35.2530 176.8751 36 Q 4.6591 9.0961 123.8792 55.1115 30.0801 177.3340 37 S 4.0402 8.7148 114.1042 62.2640 62.6534 176.2272 38 A 4.0939 7.8329 118.8433 53.0852 18.0156 177.8987 39 G 4.0153 7.9029 105.6950 45.1076 0.0000 174.5642 40 S 4.1950 7.9366 113.8419 58.9886 62.8320 172.4027 41 S 5.2337 8.5009 120.0425 56.4909 64.7692 172.8373 42 I 4.1238 8.3185 125.5974 59.1270 40.9638 174.0463 43 S 5.2668 8.0828 123.5774 57.0528 66.3181 173.2058 44 A 4.7509 8.2380 120.6546 51.4081 23.0097 174.7505 45 C 5.2209 9.5053 119.2359 55.3048 38.6154 173.3968 46 S 5.2514 7.8463 116.9048 56.1734 66.1773 172.1772 *48 K 3.7352 8.3175 119.5461 57.3099 32.4055 175.7563 49 N 4.3720 9.0849 120.9481 53.7924 36.2493 173.8943 50 S 4.6449 7.4453 112.7225 57.6350 66.1741 175.1292 51 S 4.0906 8.7864 118.3786 57.3768 62.3091 171.0327 52 V 3.4396 7.9526 111.9556 63.7942 31.4555 177.4215 53 W 4.8361 8.0412 118.4929 56.8199 29.6367 178.1754 54 G 3.9524 8.1208 107.1340 48.0352 0.0000 175.6838 55 A 4.2349 8.1403 121.2696 54.5613 18.7104 178.7369 56 S 4.6014 8.2425 111.9229 58.9877 63.2050 175.6794 57 F 4.6105 8.1635 125.8140 61.1342 39.1174 177.2467 58 S 4.0868 8.4063 113.6144 61.9192 62.7864 176.6820 59 T 3.9101 8.0184 117.8077 66.7750 68.2569 176.5417 60 L 4.1556 8.4418 121.1712 57.8143 41.5894 178.7719 61 Y 2.8040 8.3263 119.8799 60.4837 38.6562 177.9264 62 N 4.0872 8.0027 117.0390 56.4895 38.6817 177.2449 63 Q 3.7113 8.0714 120.5080 58.7590 29.0653 177.8199 64 A 4.2341 8.6179 122.2379 55.2356 18.4916 179.3715 65 L 3.6270 7.9148 119.1965 58.1171 42.0060 178.2007 66 Y 3.8557 7.8274 119.5085 61.0831 38.6882 178.5430 67 F 4.6042 8.3408 118.3858 60.6925 38.7560 177.0655 68 Y 4.2287 8.3964 118.9969 60.9733 38.6328 178.1657 69 T 3.7564 7.6827 116.0391 66.7680 68.6788 176.7143 70 T 3.9276 7.6035 110.4315 62.5221 68.8996 175.7726 71 G 3.8383 7.9244 108.1344 45.3923 0.0000 173.4790 72 Q 4.3550 7.6138 117.3681 54.9896 29.5526 174.2721 73 P 4.5813 0.0000 0.0000 63.1075 32.3246 175.6291 74 V 4.4650 8.8925 116.1044 59.5702 36.9264 173.8216 75 R 4.8671 8.8802 122.0080 54.9955 31.8743 174.7547 76 I 4.6689 8.5690 127.8820 60.1360 38.5961 174.6704 77 Y 4.7722 8.6193 125.5658 56.9601 39.6553 174.5796 78 Y 5.2132 8.4158 121.1176 55.2915 42.6992 173.7815 79 E 4.8594 9.0005 120.5344 53.6287 32.1899 173.2685 80 P 5.0311 0.0000 0.0000 63.4284 32.0130 177.2965 81 G 3.9338 8.7992 111.5440 45.3195 0.0000 174.9580 82 V 3.4024 7.2960 119.0714 65.0269 31.7183 176.2218 83 W 4.8606 7.2889 119.2787 55.9624 29.7321 176.1826 84 T 4.4401 8.4667 111.6508 61.8629 70.4552 173.7796 85 Y 4.3442 8.0986 122.7729 57.4701 39.4655 174.3496 86 P 4.2057 0.0000 0.0000 65.3344 31.5061 176.8937 87 P 4.0962 0.0000 0.0000 65.1008 31.1299 178.3165 88 F 3.9098 7.7315 119.0664 61.4119 39.1700 177.0186 89 V 3.8534 8.0143 116.6694 66.0266 31.3058 177.6740 90 K 4.0259 7.8824 118.0468 59.4708 32.2027 178.4297 91 A 4.0771 7.8239 119.7357 53.1761 18.4304 177.5972 92 L 4.2017 7.9100 112.3379 54.4067 43.1823 177.2767 93 T 4.3752 8.2135 113.2676 61.9447 70.9267 172.2374 94 S 4.7496 8.4085 118.7928 59.7377 65.0466 173.6238 95 N 4.9149 8.3659 119.8198 53.5470 39.2220 174.3040 96 A 5.0040 8.7639 126.7206 51.5454 20.0948 175.9392 97 L 4.5478 8.6016 124.5111 54.8861 42.5851 176.8754 98 V 4.0718 8.8290 117.5639 59.9712 33.7999 175.1229 99 G 4.0230 7.6394 107.4832 46.5103 0.0000 171.8189 100 L 5.5673 8.5502 118.1240 53.8263 45.9626 175.9001 101 S 5.1022 8.9202 116.7427 57.0943 67.8920 173.9599 102 T 4.2820 8.8018 112.5401 61.9688 70.2620 173.7314 103 C 5.3580 8.5158 119.3370 55.6852 43.0336 174.2876 104 T 4.1256 9.1994 113.2999 63.3126 68.6490 174.2715 105 T 4.7409 7.2966 110.5412 59.5309 71.7439 173.8466 106 S 4.3384 8.7049 114.6699 60.6014 63.3306 174.7006 107 T 4.3257 7.2166 106.1922 61.3456 70.6184 173.7717 108 E 4.3805 8.2801 122.7709 55.2583 29.4959 174.5259 109 C 5.4125 8.3407 120.2078 54.5057 44.2003 173.5056 110 F 4.6305 8.7813 124.0308 58.1906 39.4214 174.1402 111 G 3.6180 8.2737 112.8356 42.6967 0.0000 171.2902 112 P 4.5120 0.0000 0.0000 62.3725 31.9753 175.4619 113 D 4.5329 8.3815 119.5221 54.2285 41.7791 176.7262 114 R 4.6139 8.5546 123.3855 53.1975 30.5162 173.0181 115 K 4.6543 7.9131 122.0687 53.2817 36.5190 175.1701 116 K 4.3124 8.7965 125.1935 56.3981 32.6485 175.9030 117 N 4.4964 8.6918 124.1539 53.7916 38.9538 174.3593 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 E 8.44 4.50 0.00 1.94 1.83 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 1.55 1.47 0.00 2 W 9.21 5.19 0.00 3.31 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 3 T 9.20 3.46 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 0.33 0.00 0.00 4 G 5.38 2.44 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 0.00 0.00 0.00 5 D 7.70 4.44 0.00 2.71 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 6 A 8.24 4.62 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 7 R 7.08 4.85 0.00 1.71 1.78 0.00 3.25 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 8 D 8.55 4.30 0.00 2.64 2.52 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 9 G 7.65 3.71 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 0.00 0.00 0.00 *11 F 8.35 4.82 0.00 2.92 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 12 S 8.65 4.84 0.00 3.76 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 13 G 8.41 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 14 V 7.97 4.56 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 0.84 0.00 0.00 0.96 0.00 0.00 15 V 8.23 4.33 2.10 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 0.96 0.00 0.00 0.97 0.00 0.00 16 I 8.55 4.56 2.13 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 1.18 0.00 0.00 17 T 9.04 4.81 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 1.26 0.00 0.00 18 Q 8.09 4.81 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 19 F 8.48 5.03 0.00 2.36 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.25 5.16 0.00 3.26 3.08 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.30 4.80 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 1.23 0.00 0.00 22 G 7.23 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 23 Q 8.59 5.14 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 24 I 8.70 4.44 2.00 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 1.05 1.12 0.67 0.00 0.00 25 D 9.46 4.09 0.00 2.70 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 26 N 8.50 4.33 0.00 2.85 2.89 0.00 0.00 7.04 6.68 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 27 K 7.59 4.49 0.00 1.85 1.63 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 P 0.00 4.78 0.00 1.74 1.92 0.00 3.40 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 29 Y 8.21 5.50 0.00 3.11 2.88 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 30 F 9.22 5.47 0.00 3.21 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 31 C 9.47 5.50 0.00 2.84 2.92 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 32 I 8.58 5.07 1.90 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 1.27 0.75 0.69 0.00 0.00 33 E 8.96 5.06 0.00 2.00 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 2.33 2.16 0.00 34 G 9.10 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 0.00 0.00 0.00 0.00 35 K 8.36 5.26 0.00 1.64 1.71 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.54 7.81 36 Q 9.10 4.66 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 37 S 8.71 4.04 0.00 3.85 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 38 A 7.83 4.09 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 39 G 7.90 4.02 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 0.00 0.00 0.00 40 S 7.94 4.19 0.00 3.92 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 41 S 8.50 5.23 0.00 3.86 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 42 I 8.32 4.12 0.56 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.90 0.55 0.00 0.00 43 S 8.08 5.27 0.00 3.63 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 44 A 8.24 4.75 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 0.00 0.00 45 C 9.51 5.22 0.00 2.89 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 46 S 7.85 5.25 0.00 3.84 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 *48 K 8.32 3.74 0.00 0.79 1.14 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.25 7.81 49 N 9.08 4.37 0.00 2.86 2.90 0.00 0.00 6.84 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 50 S 7.45 4.64 0.00 4.15 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 51 S 8.79 4.09 0.00 4.11 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 52 V 7.95 3.44 1.62 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 0.52 0.00 0.00 -0.17 0.00 0.00 53 W 8.04 4.84 0.00 3.57 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 54 G 8.12 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 55 A 8.14 4.23 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 56 S 8.24 4.60 0.00 4.36 4.12 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 57 F 8.16 4.61 0.00 3.32 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 58 S 8.41 4.09 0.00 4.04 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 59 T 8.02 3.91 4.35 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 1.28 0.00 0.00 60 L 8.44 4.16 0.00 2.18 2.13 1.13 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.33 2.80 0.00 2.37 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 62 N 8.00 4.09 0.00 3.06 2.80 0.00 0.00 6.76 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 63 Q 8.07 3.71 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.08 0.00 64 A 8.62 4.23 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 0.00 0.00 65 L 7.91 3.63 0.00 0.93 1.20 0.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.83 3.86 0.00 3.05 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 67 F 8.34 4.60 0.00 3.25 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 68 Y 8.40 4.23 0.00 3.12 3.19 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 0.00 0.00 0.00 69 T 7.68 3.76 4.12 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 1.03 0.00 0.00 70 T 7.60 3.93 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 0.81 0.00 0.00 71 G 7.92 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 72 Q 7.61 4.35 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.19 0.00 73 P 0.00 4.58 0.00 2.06 2.08 0.00 3.68 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 1.96 1.98 0.00 74 V 8.89 4.47 1.78 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 -0.38 0.00 0.00 0.88 0.00 0.00 75 R 8.88 4.87 0.00 1.70 1.65 0.00 2.75 0.00 0.00 2.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.32 0.00 76 I 8.57 4.67 1.93 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 1.26 1.00 0.99 0.00 0.00 77 Y 8.62 4.77 0.00 3.03 2.65 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 0.00 0.00 0.00 0.00 78 Y 8.42 5.21 0.00 3.08 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 79 E 9.00 4.86 0.00 1.77 1.60 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 2.19 2.25 0.00 80 P 0.00 5.03 0.00 2.03 2.07 0.00 3.77 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 81 G 8.80 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 0.00 0.00 0.00 82 V 7.30 3.40 1.19 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 -0.35 0.00 0.00 0.85 0.00 0.00 83 W 7.29 4.86 0.00 3.41 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 84 T 8.47 4.44 4.30 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 1.23 0.00 0.00 85 Y 8.10 4.34 0.00 2.97 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 86 P 0.00 4.21 0.00 2.08 2.05 0.00 3.60 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 87 P 0.00 4.10 0.00 1.71 1.89 0.00 2.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.82 0.00 88 F 7.73 3.91 0.00 3.24 3.19 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 0.00 0.00 0.00 89 V 8.01 3.85 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 0.91 0.00 0.00 1.20 0.00 0.00 90 K 7.88 4.03 0.00 1.89 1.88 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 91 A 7.82 4.08 1.17 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 0.00 0.00 92 L 7.91 4.20 0.00 0.97 1.07 0.16 0.91 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 93 T 8.21 4.38 4.20 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 1.41 0.00 0.00 94 S 8.41 4.75 0.00 4.11 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 95 N 8.37 4.91 0.00 2.79 2.83 0.00 0.00 6.73 7.21 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 96 A 8.76 5.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.55 0.00 1.66 1.60 1.12 1.06 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 98 V 8.83 4.07 0.67 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 -0.64 0.00 0.00 0.43 0.00 0.00 99 G 7.64 4.02 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 0.00 0.00 0.00 100 L 8.55 5.57 0.00 1.82 1.94 1.23 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.92 5.10 0.00 3.87 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 0.00 102 T 8.80 4.28 4.30 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 1.51 0.00 0.00 103 C 8.52 5.36 0.00 2.93 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 0.00 104 T 9.20 4.13 4.25 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 1.24 0.00 0.00 105 T 7.30 4.74 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 0.00 106 S 8.70 4.34 0.00 3.98 4.02 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 0.00 107 T 7.22 4.33 4.20 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 1.16 0.00 0.00 108 E 8.28 4.38 0.00 2.07 1.96 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 2.28 2.27 0.00 109 C 8.34 5.41 0.00 2.91 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 0.00 110 F 8.78 4.63 0.00 2.95 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 0.00 111 G 8.27 3.62 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 0.00 0.00 0.00 112 P 0.00 4.51 0.00 1.72 2.04 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 113 D 8.38 4.53 0.00 2.58 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 0.00 114 R 8.55 4.61 0.00 2.00 1.82 0.00 3.20 0.00 0.00 3.36 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 115 K 7.91 4.65 0.00 1.66 1.59 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.35 7.81 116 K 8.80 4.31 0.00 1.72 1.73 0.00 1.47 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.36 7.81 117 N 8.69 4.50 0.00 2.70 2.67 0.00 0.00 6.99 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.