NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 A 4.3215 8.2649 123.5740 51.9642 19.8905 176.0442 13 E 4.5437 8.3665 121.5639 52.9810 33.0762 170.3548 14 V 4.0355 9.0616 122.9458 63.2859 33.4638 174.8902 15 I 4.4433 8.9662 129.2045 59.7378 39.0975 174.9011 16 S 4.7595 8.7304 124.3025 57.9414 63.6163 173.8413 17 V 4.4173 8.2753 125.6320 61.6296 32.3690 175.1541 18 H 5.0990 9.8513 123.9020 55.1800 30.1925 173.6472 19 S 4.7638 7.5955 114.2057 55.8539 67.3124 174.6809 20 L 4.1223 8.4607 121.7273 57.8197 41.2510 179.4034 21 E 4.0261 8.1931 119.0366 59.2736 29.5914 178.7348 22 Q 3.9922 8.4883 118.4477 58.5805 28.8249 178.1820 23 W 4.3233 8.4096 129.4574 61.0196 30.6136 177.9619 24 T 3.7626 8.4805 115.6320 66.9591 67.9582 176.1951 25 M 3.9657 8.1683 120.5979 58.9066 32.0369 179.0611 26 Q 3.9268 8.2337 118.0299 58.7713 28.7998 178.8999 27 I 3.4123 7.3829 121.1522 64.1399 37.1284 178.3392 28 E 3.9318 8.2493 118.7263 59.1976 29.3207 178.8765 29 E 3.8943 8.2574 119.4122 59.3404 29.5840 179.2773 30 A 3.9366 8.0165 120.6121 55.2512 18.2095 179.5007 31 N 4.3388 8.0722 114.0936 56.7495 38.8701 177.3341 32 T 3.9344 8.0841 117.1166 66.5788 68.3648 175.8643 33 A 4.0883 8.2054 120.3137 52.3461 18.3674 177.1142 34 K 3.8348 7.4615 115.4254 56.9679 30.6780 174.9762 35 K 4.4726 7.7311 117.0137 55.4470 34.2024 176.4068 36 L 4.1456 8.5000 123.5840 55.7922 43.3940 175.5619 37 V 4.6326 8.8762 125.7739 61.0079 34.2327 174.1309 38 V 4.3764 8.3869 127.9747 60.9640 33.8686 174.0181 39 I 4.8061 8.6989 128.8764 59.5087 39.9771 174.1539 40 D 4.3210 8.7983 127.8513 52.7209 42.2290 175.0704 41 F 4.6839 8.9998 127.1105 56.9191 40.3486 175.2530 42 T 4.9189 9.0085 117.8745 60.3213 71.9176 172.1027 43 A 4.5921 7.8033 124.1683 50.1081 21.7983 177.1846 44 S 3.9411 8.2800 117.1811 61.2452 62.8444 175.9573 45 W 4.3826 7.4338 114.4019 56.7557 28.7987 176.8265 46 C 4.5937 7.5511 120.9893 55.0976 44.2039 173.5175 47 G 3.7786 8.7272 115.5552 47.9185 0.0000 172.2717 48 P 4.2756 0.0000 0.0000 65.1663 31.3005 179.4766 49 C 4.2687 8.0106 114.9604 59.8814 39.9282 176.0260 50 R 3.8842 7.5354 118.0544 59.4031 29.7760 178.7001 51 I 3.8678 7.7015 118.2495 64.8885 37.3603 178.1075 52 M 4.3018 8.3380 118.6116 57.3211 31.7666 178.3244 53 A 4.1337 8.1146 122.0132 55.0353 18.4522 177.9505 54 P 4.2513 0.0000 0.0000 65.3632 31.4817 178.7725 55 V 3.5376 7.8028 118.1122 65.9025 31.6043 177.2991 56 F 4.0828 8.5715 120.4236 61.4241 39.0164 176.8203 57 A 3.8665 8.1379 119.0689 55.1239 18.3704 178.6729 58 D 4.3293 8.2872 116.6936 57.6467 40.9670 178.6347 59 L 3.9684 8.0003 119.2922 57.5926 41.3129 179.2513 60 A 2.5800 6.7529 119.8319 54.4222 18.1472 178.9326 61 K 3.9715 7.2846 115.8542 59.0657 32.3632 178.6017 62 K 3.9238 7.6685 116.1191 57.7972 33.0798 176.8158 63 F 4.8706 7.4218 116.7449 55.5639 39.1370 174.1908 64 P 4.4356 0.0000 0.0000 64.7688 31.8606 177.7032 65 N 4.7117 8.2496 113.7323 53.1681 37.4631 174.3758 66 A 4.8750 7.8510 119.6599 50.5331 22.6944 175.9949 67 V 4.1381 8.7132 121.8631 61.9011 33.4585 174.7755 68 F 5.0665 8.9529 126.1837 55.9499 41.4783 174.0852 69 L 5.3547 9.1857 124.5955 52.7776 44.9405 175.5654 70 K 4.8601 8.9740 123.0774 54.5667 35.1826 174.8374 71 V 4.5485 8.1946 126.9494 60.8019 34.4591 173.7622 72 D 4.9078 8.5934 128.1195 54.1048 41.5108 177.2171 73 V 3.6924 8.6259 120.4803 64.4590 31.5973 177.7572 74 D 4.5399 8.2080 119.7759 57.0144 41.1439 177.5516 75 E 4.0892 8.3952 118.7168 58.5381 30.6636 176.8753 76 L 4.7591 7.9401 118.1743 52.5494 41.7098 176.8434 77 K 3.9808 8.0728 122.8246 59.3884 32.6069 177.1767 78 P 4.2720 0.0000 0.0000 65.4157 31.1315 178.8161 79 I 3.4084 7.4584 118.1153 64.0154 37.1227 177.8914 80 A 3.6680 7.7906 121.2529 55.1606 18.0730 179.5881 81 E 3.8663 8.4187 117.6569 59.4035 29.2862 179.4973 82 Q 3.8050 7.6483 116.8632 58.6132 28.5230 177.7551 83 F 4.6866 7.1397 115.2227 55.7767 40.1684 175.8612 84 S 3.4747 7.8241 114.1558 59.4094 60.5190 174.0259 85 V 3.9171 7.9008 119.3859 61.8962 31.2571 174.6425 86 E 4.6666 8.6404 124.5978 55.5402 30.9289 175.6832 87 A 4.7656 7.7447 121.0119 50.7048 22.0617 175.8618 88 M 4.8602 8.2922 120.8181 52.4369 36.4180 173.3298 89 P 4.3766 0.0000 0.0000 63.1862 33.0144 174.9331 90 T 4.8344 8.0627 118.6573 61.8526 71.2099 173.2287 91 F 4.8768 9.4848 125.9322 55.9208 40.8831 174.4263 92 L 5.0322 9.1680 127.0078 53.3291 44.5345 174.9620 93 F 5.2389 9.0053 123.6485 55.9957 42.0263 174.3099 94 M 5.3340 9.2577 122.7873 53.5945 36.8042 174.3084 95 K 4.6355 8.9324 123.6316 55.3510 36.0138 176.0027 96 E 4.0221 9.9710 127.7273 57.5250 27.0394 175.7927 97 G 4.0748 8.3803 105.8235 45.4683 0.0000 173.3505 98 D 4.7607 7.6571 119.9899 52.6317 42.0884 175.9677 99 V 4.2181 8.3589 123.8839 62.8287 31.7973 175.9016 100 K 4.0969 9.3264 128.6293 57.7351 32.6399 176.0164 101 D 4.4398 7.4935 117.3549 54.6479 44.3653 174.8793 102 R 5.3558 8.3668 118.9166 55.3217 33.1590 173.7523 103 V 4.5787 9.3625 126.4251 61.1110 34.3470 174.1115 104 V 4.5975 8.8047 127.4845 62.5650 33.2040 175.4892 105 G 3.9425 9.3741 114.0994 44.9516 0.0000 173.7129 106 A 4.4740 8.1434 122.2121 51.3973 16.9363 179.9873 107 I 4.3428 7.1767 123.9298 58.4125 37.1939 175.9990 108 K 3.8623 8.2782 124.1206 59.4271 32.1402 178.2687 109 E 3.9577 8.1099 118.0966 59.3924 29.5229 178.9174 110 E 3.9046 8.0951 118.8212 59.0070 29.7365 178.0632 111 L 3.9611 8.0274 120.5128 58.7705 42.0747 179.1195 112 T 3.8608 8.3512 115.4992 66.6198 68.3594 176.4294 113 A 3.9752 8.3496 122.9669 55.1665 18.3599 179.9286 114 K 3.6809 7.9667 116.8840 59.3486 32.1191 179.7525 115 V 3.8619 8.2088 118.9757 65.9014 31.1741 178.1325 116 G 3.5882 7.5768 104.3457 47.7010 0.0000 175.0146 117 L 4.0005 7.8269 122.9682 58.2452 41.9312 178.7540 118 H 4.3778 7.9234 114.0151 57.8778 28.9564 176.0963 119 A 4.4236 8.1447 120.2122 51.7763 18.8151 177.1287 120 A 4.1872 7.4014 118.9749 51.6546 18.9963 178.0164 121 A 3.9356 8.6526 127.3155 53.3519 19.0794 178.3841 *122 Q 4.1483 8.5039 117.9771 55.2901 28.8877 174.9424 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 12 A 8.26 4.32 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 13 E 8.37 4.54 0.00 2.00 1.82 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 2.17 2.30 0.00 14 V 9.06 4.04 2.17 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 1.02 0.00 0.00 0.95 0.00 0.00 15 I 8.97 4.44 1.91 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 1.26 0.66 0.93 0.00 0.00 16 S 8.73 4.76 0.00 3.79 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 17 V 8.28 4.42 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 1.02 0.00 0.00 1.08 0.00 0.00 18 H 9.85 5.10 0.00 3.13 3.41 0.00 5.68 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 19 S 7.60 4.76 0.00 4.03 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 20 L 8.46 4.12 0.00 1.76 1.84 0.93 0.69 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 21 E 8.19 4.03 0.00 2.08 1.99 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 2.41 2.43 0.00 22 Q 8.49 3.99 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 23 W 8.41 4.32 0.00 3.42 3.31 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 24 T 8.48 3.76 4.44 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 1.23 0.00 0.00 25 M 8.17 3.97 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 26 Q 8.23 3.93 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 27 I 7.38 3.41 1.39 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.36 0.73 0.00 0.00 28 E 8.25 3.93 0.00 2.14 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 0.00 2.40 2.31 0.00 29 E 8.26 3.89 0.00 2.27 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 2.31 2.38 0.00 30 A 8.02 3.94 1.30 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 0.00 0.00 31 N 8.07 4.34 0.00 2.68 2.87 0.00 0.00 7.09 7.14 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 32 T 8.08 3.93 4.41 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 1.20 0.00 0.00 33 A 8.21 4.09 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 34 K 7.46 3.83 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 35 K 7.73 4.47 0.00 1.82 1.88 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.37 7.81 36 L 8.50 4.15 0.00 1.80 1.57 1.00 0.80 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 37 V 8.88 4.63 1.97 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 0.83 0.00 0.00 0.80 0.00 0.00 38 V 8.39 4.38 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 0.14 0.00 0.00 0.12 0.00 0.00 39 I 8.70 4.81 1.66 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 1.35 0.57 0.06 0.00 0.00 40 D 8.80 4.32 0.00 1.58 1.79 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 F 9.00 4.68 0.00 2.89 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 42 T 9.01 4.92 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 1.13 0.00 0.00 43 A 7.80 4.59 0.06 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 44 S 8.28 3.94 0.00 4.06 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 45 W 7.43 4.38 0.00 3.59 3.26 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 46 C 7.55 4.59 0.00 1.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.73 3.78 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 0.00 0.00 0.00 48 P 0.00 4.28 0.00 2.16 2.15 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 49 C 8.01 4.27 0.00 2.97 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 50 R 7.54 3.88 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 51 I 7.70 3.87 2.04 0.00 0.00 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 1.70 0.76 0.94 0.00 0.00 52 M 8.34 4.30 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.97 0.00 53 A 8.11 4.13 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 54 P 0.00 4.25 0.00 2.29 2.34 0.00 3.83 0.00 0.00 3.73 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 55 V 7.80 3.54 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 1.10 0.00 0.00 1.02 0.00 0.00 56 F 8.57 4.08 0.00 3.37 3.34 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 57 A 8.14 3.87 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 58 D 8.29 4.33 0.00 2.66 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 59 L 8.00 3.97 0.00 1.61 1.56 0.95 1.27 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 60 A 6.75 2.58 0.75 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 61 K 7.28 3.97 0.00 1.78 1.76 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.42 7.81 62 K 7.67 3.92 0.00 1.60 1.36 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.44 7.81 63 F 7.42 4.87 0.00 3.38 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 64 P 0.00 4.44 0.00 2.03 2.10 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 65 N 8.25 4.71 0.00 2.89 2.98 0.00 0.00 5.75 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 66 A 7.85 4.87 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 67 V 8.71 4.14 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 0.84 0.00 0.00 0.92 0.00 0.00 68 F 8.95 5.07 0.00 2.86 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 69 L 9.19 5.35 0.00 1.57 1.60 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.97 4.86 0.00 1.85 1.61 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.35 7.81 71 V 8.19 4.55 1.24 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 0.86 0.00 0.00 0.75 0.00 0.00 72 D 8.59 4.91 0.00 2.82 2.53 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 0.00 0.00 0.00 73 V 8.63 3.69 2.11 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 0.82 0.00 0.00 1.04 0.00 0.00 74 D 8.21 4.54 0.00 2.98 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 75 E 8.40 4.09 0.00 1.96 2.11 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 2.32 2.36 0.00 76 L 7.94 4.76 0.00 1.62 1.43 1.00 0.73 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 77 K 8.07 3.98 0.00 1.77 2.02 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.72 7.81 78 P 0.00 4.27 0.00 2.05 2.03 0.00 3.46 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 79 I 7.46 3.41 1.67 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.46 -0.02 0.00 0.00 80 A 7.79 3.67 1.30 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 0.00 0.00 81 E 8.42 3.87 0.00 1.97 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 2.27 2.25 0.00 82 Q 7.65 3.81 0.00 1.92 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 1.25 1.22 0.00 83 F 7.14 4.69 0.00 2.74 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 84 S 7.82 3.47 0.00 3.94 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 85 V 7.90 3.92 1.70 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 0.56 0.00 0.00 0.11 0.00 0.00 86 E 8.64 4.67 0.00 1.93 1.89 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 2.15 2.18 0.00 87 A 7.74 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 M 8.29 4.86 0.00 1.68 1.67 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 89 P 0.00 4.38 0.00 1.20 1.86 0.00 3.64 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 2.23 2.07 0.00 90 T 8.06 4.83 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 1.15 0.00 0.00 91 F 9.48 4.88 0.00 3.04 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 92 L 9.17 5.03 0.00 1.77 1.53 0.78 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 93 F 9.01 5.24 0.00 2.97 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 94 M 9.26 5.33 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 95 K 8.93 4.64 0.00 1.79 1.60 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.41 7.81 96 E 9.97 4.02 0.00 2.12 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 2.23 2.28 0.00 97 G 8.38 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 98 D 7.66 4.76 0.00 2.90 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 99 V 8.36 4.22 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 0.88 0.00 0.00 1.10 0.00 0.00 100 K 9.33 4.10 0.00 1.62 1.64 0.00 1.85 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.48 7.81 101 D 7.49 4.44 0.00 2.40 2.11 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 0.00 102 R 8.37 5.36 0.00 1.89 1.79 0.00 3.26 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 103 V 9.36 4.58 2.49 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 1.09 0.00 0.00 1.20 0.00 0.00 104 V 8.80 4.60 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 0.87 0.00 0.00 0.95 0.00 0.00 105 G 9.37 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 0.00 106 A 8.14 4.47 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 0.00 107 I 7.18 4.34 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.72 0.94 0.00 0.00 108 K 8.28 3.86 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.57 7.81 109 E 8.11 3.96 0.00 2.06 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 2.41 2.44 0.00 110 E 8.10 3.90 0.00 2.05 1.97 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 2.40 2.37 0.00 111 L 8.03 3.96 0.00 1.57 1.75 0.71 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.35 3.86 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 1.27 0.00 0.00 113 A 8.35 3.98 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 0.00 114 K 7.97 3.68 0.00 1.86 1.21 0.00 1.66 0.00 0.00 1.46 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.49 7.81 115 V 8.21 3.86 2.11 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 0.48 0.00 0.00 1.19 0.00 0.00 116 G 7.58 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.00 0.00 1.71 1.45 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 118 H 7.92 4.38 0.00 3.21 3.31 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.14 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.40 4.19 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 0.00 121 A 8.65 3.94 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 *122 Q 8.50 4.15 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.60 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.