NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6491 8.2233 120.1821 53.7375 42.4702 176.4402 2 L 4.1938 8.5864 125.8589 56.5354 41.5603 178.2221 3 W 4.2225 9.0618 129.0373 60.5639 31.1696 177.7634 4 Q 3.7257 8.5418 117.5845 58.8952 28.2664 178.4832 5 F 4.5509 8.4983 121.7959 61.4881 39.4652 177.5066 6 G 3.3864 7.7908 105.2968 47.2925 0.0000 176.0054 7 K 3.7812 7.4569 120.8195 59.4881 32.0378 179.1331 8 M 3.8983 7.8061 118.9605 58.4821 31.7782 178.9115 9 I 3.5208 7.3264 119.4137 64.1077 37.2607 178.1859 10 L 4.3746 7.5138 122.2992 57.7648 41.7612 179.1477 11 K 3.9997 8.5119 117.9832 59.5444 32.0661 178.8480 12 E 4.2037 8.6966 118.1642 58.1154 29.6293 178.0614 13 T 4.4944 7.9533 107.3372 60.2775 70.2758 175.2827 14 G 3.8600 8.3791 109.4730 45.5490 0.0000 173.2894 15 K 4.4306 7.6802 118.7841 53.9004 33.9060 175.6381 16 L 4.4773 8.4384 122.4737 53.7687 42.7472 175.8360 17 P 4.2641 0.0000 0.0000 65.4696 31.4483 175.6658 18 F 4.8851 8.1580 118.4977 56.2940 39.9428 173.3861 19 P 3.9278 0.0000 0.0000 62.4361 31.9850 176.6641 20 Y 4.3924 6.4369 114.2494 60.0708 37.8649 177.0086 21 Y 4.6813 8.5524 115.4960 58.5814 40.5603 177.6026 22 V 3.9790 8.0559 112.9338 63.6557 31.8484 177.0582 23 T 4.4483 7.7783 109.2949 61.2745 69.1869 172.3494 24 Y 4.7871 8.2662 122.7897 57.7776 40.9561 175.9600 25 G 3.4942 7.8628 115.5257 46.7270 0.0000 172.9188 26 C 4.6779 8.7642 114.7166 57.3391 37.9330 173.6750 27 Y 4.3169 8.1424 118.6501 59.3119 40.3898 177.8180 28 C 4.4101 9.0177 116.5972 60.2108 40.4000 175.5349 29 G 4.4345 8.2989 104.6890 44.8267 0.0000 173.7883 30 V 4.3024 7.1226 119.7798 62.4388 32.1534 176.7108 31 G 3.7122 9.1510 104.2630 45.3217 0.0000 175.1008 32 G 2.5119 7.7075 106.7054 45.2416 0.0000 175.3573 33 R 3.9413 7.8037 120.6127 58.4038 30.1535 177.3331 34 G 4.0655 7.3954 103.2964 44.4629 0.0000 173.7079 35 G 3.9666 8.5381 107.9220 44.8248 0.0000 172.2817 36 P 4.5343 0.0000 0.0000 63.1855 31.2650 176.3848 37 K 3.9769 9.6592 125.1273 57.9741 32.8328 175.4055 38 D 4.5344 7.4157 115.6463 51.5620 41.6248 175.1823 39 A 4.0052 8.9074 120.1864 56.1163 18.6265 179.5834 40 T 4.1621 8.0496 113.7013 66.9047 68.4688 176.0869 41 D 4.6422 8.8508 120.0065 57.6309 41.2351 178.4029 42 R 3.8975 8.3146 119.0742 59.3577 29.9707 177.7165 43 C 4.1044 8.1010 116.5989 60.1546 41.2740 175.4277 44 C 4.4382 8.2018 118.1917 59.9170 34.5454 175.8002 45 F 3.6199 7.8232 121.7340 61.2703 39.0552 177.2689 46 V 3.1783 7.7984 117.6982 65.7550 31.1671 177.5717 47 H 3.9403 7.9157 118.3297 59.1992 29.7354 176.9630 48 D 4.2074 8.1091 120.7217 57.5718 40.6211 178.2006 49 C 4.2781 7.7733 116.7361 59.9017 39.8662 175.2627 50 C 4.1383 7.5128 118.9124 59.9673 39.3815 175.0390 51 Y 4.3806 7.9892 118.4756 61.0053 37.2104 178.3028 52 G 3.9468 8.3991 106.1531 47.9217 0.0000 175.0964 53 K 4.2911 7.8052 117.5089 56.7912 33.6760 177.7903 54 L 4.5834 7.9998 122.2607 52.9998 40.6771 176.9135 55 T 3.8415 7.9314 112.0819 64.9650 69.1667 176.7274 56 S 4.3796 7.9922 114.6461 58.5961 62.9317 174.2880 57 C 4.9459 7.5764 118.1755 55.3124 43.3081 174.2801 58 K 4.4375 7.8796 119.3073 53.6216 31.2403 175.3796 59 P 3.7787 0.0000 0.0000 64.7256 31.6996 177.6816 60 K 4.4649 7.7926 114.9595 56.8272 33.0757 177.0353 61 T 4.4335 7.8810 114.1684 63.8834 70.5540 174.4179 62 D 4.2965 8.0126 121.0916 53.8874 41.6470 175.0683 63 R 4.3335 8.4573 127.4319 54.9670 30.2694 175.0206 64 Y 4.6458 7.4506 125.8643 55.8818 40.2452 173.7971 65 S 5.0379 8.9185 113.9618 57.1897 64.9936 173.1790 66 Y 5.2794 8.7244 123.9187 55.8399 41.4056 173.9933 67 S 4.5154 9.2743 113.8163 56.2549 66.5993 173.9652 68 R 5.1308 8.0466 123.5557 55.2834 30.1071 176.4381 69 K 4.1700 7.9046 117.4415 58.7841 32.3716 178.2553 70 D 4.8866 8.0542 117.6464 53.9200 41.4044 177.3756 71 G 4.0270 8.8820 108.3518 45.2632 0.0000 174.1151 72 T 4.6594 7.3782 108.9704 59.4684 71.3252 173.9576 73 I 4.1498 7.8573 128.4466 61.5649 37.9232 175.7401 74 V 4.3708 9.1230 127.0080 61.0139 34.4141 173.8594 75 C 4.7584 9.0085 126.5598 56.8113 40.3233 175.6728 76 G 4.0762 9.8125 114.9131 45.7743 0.0000 172.1590 77 E 4.6579 8.6375 119.7475 53.9542 32.6489 175.5829 *79 D 4.3166 8.4097 119.0705 53.6386 42.6574 174.1208 80 P 4.2474 0.0000 0.0000 66.1789 31.3488 179.2283 81 C 4.2508 7.9098 114.5352 60.0623 38.8241 175.9358 82 R 3.9899 8.2335 119.1417 59.4185 29.6288 178.6443 83 K 3.8399 8.0859 118.7950 59.6713 32.2168 178.5267 84 E 3.9017 7.9951 118.3623 59.4243 29.3794 179.4258 85 I 3.6192 8.1305 120.1028 64.5119 37.1940 177.4251 86 C 3.0600 8.1043 119.5327 59.4569 41.7445 175.4523 87 E 3.8025 8.1335 119.9526 59.6013 29.0934 178.5169 88 C 4.1315 8.0495 116.3781 60.3177 41.4015 176.0894 89 D 4.1232 8.0000 120.0798 57.1229 40.4180 178.5381 90 K 3.7458 8.3173 120.2228 59.5069 32.1709 178.1684 91 A 3.8692 8.2316 120.9981 55.4205 18.2205 179.5024 92 A 3.5431 7.8219 118.5090 54.9963 18.4204 179.6521 93 A 3.9319 8.1277 119.3649 55.4558 18.4315 180.0664 94 V 3.5235 8.1580 117.0988 66.0639 31.3320 177.4707 95 C 4.1460 8.2986 118.7605 59.6340 43.2585 175.5091 96 F 4.3425 7.7095 118.5079 60.4986 38.7127 177.3781 97 R 4.0382 8.0581 118.2112 59.6870 29.7990 178.4914 98 E 4.1132 8.3673 117.0139 58.5718 29.6019 178.1852 99 N 4.9743 7.6350 115.1478 53.0793 39.1507 176.5731 100 L 4.1623 8.0497 123.9072 57.7058 41.3595 178.7590 101 D 4.4395 8.2817 117.6466 56.5843 41.2616 176.5930 102 T 4.5893 7.7898 106.1290 60.7972 69.5295 173.2986 103 Y 4.0682 7.8512 124.0136 58.5644 38.8346 174.6705 104 N 4.9465 8.5357 124.4045 51.3080 40.6033 175.7559 105 K 4.2767 8.5011 124.0169 58.0724 32.7579 178.3657 106 K 4.1004 7.6475 116.4521 59.1655 33.0362 177.0177 107 Y 4.5066 7.0577 115.7104 58.0126 38.1482 174.6712 108 M 4.4279 7.5348 121.1326 56.1157 32.5141 175.6337 109 S 3.7461 10.2056 121.5968 59.0715 61.3660 170.8770 110 Y 4.3134 8.0772 118.1450 57.4240 39.3935 174.6568 111 L 4.4138 6.9550 122.6087 52.6928 43.0951 177.9027 112 K 3.8801 8.7681 123.1087 60.2402 32.3741 179.0951 113 S 4.1041 7.9743 113.6129 60.3253 62.7805 174.6303 114 L 4.4764 7.5118 118.5925 54.6085 41.9138 175.7864 115 C 4.9290 7.9963 117.0377 55.8695 42.6048 173.8451 116 K 4.3987 7.8031 122.4386 55.4464 32.6747 175.9675 117 K 4.3218 8.2757 127.1139 57.3301 34.5401 173.4817 *120 D 4.4093 8.4726 121.5169 54.1769 41.8411 174.8409 121 D 4.9820 8.3594 121.0731 52.2158 44.5914 175.7634 122 C 4.2843 9.3646 121.1473 57.7571 41.2069 173.9129 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 D 8.22 4.65 0.00 2.85 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 2 L 8.59 4.19 0.00 2.01 1.90 1.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 3 W 9.06 4.22 0.00 3.47 3.53 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 4 Q 8.54 3.73 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.83 2.81 0.00 5 F 8.50 4.55 0.00 3.37 3.37 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 6 G 7.79 3.39 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 0.00 7 K 7.46 3.78 0.00 1.65 1.64 0.00 1.38 0.00 0.00 1.15 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.47 0.21 7.81 8 M 7.81 3.90 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.05 0.00 9 I 7.33 3.52 1.74 0.00 0.00 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 1.14 0.16 0.59 0.00 0.00 10 L 7.51 4.37 0.00 1.70 1.76 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.51 4.00 0.00 1.74 1.88 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.61 7.81 12 E 8.70 4.20 0.00 1.95 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 2.40 2.42 0.00 13 T 7.95 4.49 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 1.18 0.00 0.00 14 G 8.38 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 0.00 0.00 0.00 15 K 7.68 4.43 0.00 1.73 1.30 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.47 1.12 7.81 16 L 8.44 4.48 0.00 1.89 1.79 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.26 0.00 2.23 2.12 0.00 3.61 0.00 0.00 3.79 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 18 F 8.16 4.89 0.00 3.01 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 19 P 0.00 3.93 0.00 1.59 0.68 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.27 0.00 20 Y 6.44 4.39 0.00 2.92 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 21 Y 8.55 4.68 0.00 2.67 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 22 V 8.06 3.98 2.28 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 0.94 0.00 0.00 1.23 0.00 0.00 23 T 7.78 4.45 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 1.23 0.00 0.00 24 Y 8.27 4.79 0.00 3.18 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 25 G 7.86 3.49 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 0.00 26 C 8.76 4.68 0.00 3.13 3.15 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 27 Y 8.14 4.32 0.00 3.09 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 28 C 9.02 4.41 0.00 3.58 3.61 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 29 G 8.30 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 0.00 0.00 0.00 0.00 30 V 7.12 4.30 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 1.01 0.00 0.00 1.03 0.00 0.00 31 G 9.15 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 32 G 7.71 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 0.00 0.00 0.00 33 R 7.80 3.94 0.00 1.91 1.98 0.00 3.14 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 34 G 7.40 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 35 G 8.54 3.97 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 0.00 0.00 0.00 36 P 0.00 4.53 0.00 1.85 2.08 0.00 3.45 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 37 K 9.66 3.98 0.00 1.25 1.14 0.00 1.47 0.00 0.00 1.35 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.76 7.81 38 D 7.42 4.53 0.00 2.93 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 39 A 8.91 4.01 1.42 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 0.00 0.00 0.00 40 T 8.05 4.16 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 1.40 0.00 0.00 41 D 8.85 4.64 0.00 3.19 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 42 R 8.31 3.90 0.00 2.12 2.06 0.00 3.17 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 43 C 8.10 4.10 0.00 2.98 2.41 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 44 C 8.20 4.44 0.00 3.53 3.61 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 45 F 7.82 3.62 0.00 1.82 2.87 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 46 V 7.80 3.18 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 0.77 0.00 0.00 0.86 0.00 0.00 47 H 7.92 3.94 0.00 3.22 3.37 0.00 5.66 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 48 D 8.11 4.21 0.00 2.98 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 49 C 7.77 4.28 0.00 2.80 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 50 C 7.51 4.14 0.00 3.02 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 51 Y 7.99 4.38 0.00 3.09 2.87 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 52 G 8.40 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 53 K 7.81 4.29 0.00 1.87 1.85 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.65 7.81 54 L 8.00 4.58 0.00 1.64 1.53 0.85 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.93 3.84 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 56 S 7.99 4.38 0.00 3.87 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 57 C 7.58 4.95 0.00 2.79 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 58 K 7.88 4.44 0.00 1.74 1.68 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.39 7.81 59 P 0.00 3.78 0.00 1.02 0.49 0.00 3.47 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 1.67 1.77 0.00 60 K 7.79 4.46 0.00 1.76 1.92 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.48 7.81 61 T 7.88 4.43 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 62 D 8.01 4.30 0.00 2.75 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 63 R 8.46 4.33 0.00 1.77 1.82 0.00 3.25 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 64 Y 7.45 4.65 0.00 3.16 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 65 S 8.92 5.04 0.00 3.99 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 66 Y 8.72 5.28 0.00 3.02 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 67 S 9.27 4.52 0.00 3.81 3.67 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 68 R 8.05 5.13 0.00 1.92 1.87 0.00 3.40 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 69 K 7.90 4.17 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.40 7.81 70 D 8.05 4.89 0.00 2.64 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 71 G 8.88 4.03 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 0.00 0.00 0.00 72 T 7.38 4.66 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 1.22 0.00 0.00 73 I 7.86 4.15 1.88 0.00 0.00 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 1.23 0.71 0.95 0.00 0.00 74 V 9.12 4.37 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 1.08 0.00 0.00 0.99 0.00 0.00 75 C 9.01 4.76 0.00 2.88 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 76 G 9.81 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 0.00 0.00 0.00 77 E 8.64 4.66 0.00 2.05 1.91 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 2.18 2.27 0.00 *79 D 8.41 4.32 0.00 2.79 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 80 P 0.00 4.25 0.00 2.19 2.11 0.00 3.65 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 2.12 2.21 0.00 81 C 7.91 4.25 0.00 3.24 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 82 R 8.23 3.99 0.00 2.06 2.15 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.77 0.00 83 K 8.09 3.84 0.00 1.83 1.79 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 84 E 8.00 3.90 0.00 2.23 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 2.49 2.48 0.00 85 I 8.13 3.62 2.10 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 1.24 0.88 0.97 0.00 0.00 86 C 8.10 3.06 0.00 2.26 2.98 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 87 E 8.13 3.80 0.00 2.11 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 2.44 2.45 0.00 88 C 8.05 4.13 0.00 3.30 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 89 D 8.00 4.12 0.00 2.77 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 90 K 8.32 3.75 0.00 1.66 1.90 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 91 A 8.23 3.87 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 92 A 7.82 3.54 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 93 A 8.13 3.93 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 94 V 8.16 3.52 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 0.93 0.00 0.00 95 C 8.30 4.15 0.00 2.91 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 96 F 7.71 4.34 0.00 2.94 2.69 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 0.00 0.00 0.00 0.00 97 R 8.06 4.04 0.00 1.99 2.09 0.00 3.09 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 98 E 8.37 4.11 0.00 1.94 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 2.47 2.48 0.00 99 N 7.64 4.97 0.00 2.89 2.89 0.00 0.00 6.84 6.62 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 0.00 100 L 8.05 4.16 0.00 1.82 1.71 0.87 0.78 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 0.00 101 D 8.28 4.44 0.00 2.64 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 0.00 102 T 7.79 4.59 4.31 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 1.25 0.00 0.00 103 Y 7.85 4.07 0.00 3.08 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 0.00 104 N 8.54 4.95 0.00 2.42 1.86 0.00 0.00 6.29 7.49 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 0.00 105 K 8.50 4.28 0.00 1.95 1.83 0.00 1.85 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.61 7.81 106 K 7.65 4.10 0.00 1.81 1.78 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.43 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.61 0.84 7.81 107 Y 7.06 4.51 0.00 2.04 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 0.00 0.00 0.00 108 M 7.53 4.43 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 109 S 10.21 3.75 0.00 4.01 3.91 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 0.00 110 Y 8.08 4.31 0.00 2.87 2.93 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 0.00 111 L 6.95 4.41 0.00 1.43 1.37 0.16 0.33 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 0.00 112 K 8.77 3.88 0.00 1.91 2.08 0.00 1.49 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 113 S 7.97 4.10 0.00 3.81 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 0.00 114 L 7.51 4.48 0.00 1.53 1.74 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 115 C 8.00 4.93 0.00 3.14 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 0.00 116 K 7.80 4.40 0.00 1.75 1.44 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.39 7.81 117 K 8.28 4.32 0.00 1.67 1.63 0.00 1.81 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 1.24 7.81 *120 D 8.47 4.41 0.00 2.40 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 0.00 0.00 0.00 121 D 8.36 4.98 0.00 2.60 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 0.00 122 C 9.36 4.28 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.