NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 3.9979 8.0549 117.8924 59.9858 33.9487 174.9875 4 I 4.1280 7.4340 120.7691 59.2902 37.1393 173.5687 5 N 5.1541 8.4435 119.7842 50.9734 40.2194 174.2456 6 T 4.5421 7.6764 110.2643 61.0029 71.4505 174.7911 7 L 3.9157 8.4450 123.0390 58.9116 41.4104 179.1087 8 D 4.4829 8.1131 118.0776 57.1752 40.7920 178.5421 9 G 3.8096 7.9044 105.9292 48.2332 0.0000 175.8718 10 V 3.5801 7.9616 121.0797 65.0278 31.6879 177.8514 11 A 4.0219 8.0692 120.5882 55.5393 18.2394 179.4332 12 D 4.3828 9.4674 117.5941 57.4548 40.8480 178.1519 13 Y 4.0929 8.3336 120.3308 60.9620 38.7682 178.4234 14 L 3.9305 8.3531 120.0012 57.9847 41.4976 179.6558 15 Q 3.6190 7.3681 115.3569 58.8589 28.5872 177.9193 16 T 3.7556 7.0435 115.8952 65.7583 68.9073 176.0121 17 Y 3.9647 8.1728 118.8327 58.1411 38.2348 175.5828 18 H 3.4629 7.5362 114.9882 54.5422 26.4133 174.0293 19 K 4.6647 7.4609 115.3082 56.0019 34.8937 174.7438 20 L 4.2665 8.2576 119.3741 53.3966 42.7495 175.5898 21 P 4.0763 0.0000 0.0000 62.2404 31.7682 177.5121 22 D 4.4660 8.6267 120.8509 57.1756 40.9477 177.3688 23 N 4.6210 8.0547 115.3416 52.9249 37.9573 173.4184 24 Y 5.2193 7.7491 117.1670 56.6920 40.7753 174.7758 25 I 5.0043 8.4579 115.3896 59.4649 41.9604 174.7209 26 T 4.5545 8.3535 112.9612 60.9334 70.3827 175.8134 27 K 4.1661 9.4890 121.3303 59.5494 31.8224 179.9818 28 S 4.1981 8.0806 114.0909 61.5887 63.2102 176.1006 29 E 3.9610 8.2180 122.3868 58.9909 29.1423 179.1696 30 A 4.0881 8.1593 120.6361 55.4580 18.4107 179.7761 31 Q 4.2348 8.6231 116.4087 59.0746 28.5702 178.6989 32 A 4.0693 8.1407 121.1237 55.1180 18.5584 179.1632 33 L 4.2584 7.8658 115.2436 55.3598 41.7912 177.8538 34 G 4.1574 7.6843 107.6048 44.9038 0.0000 173.6250 35 W 4.5004 8.5575 130.9549 56.8781 31.0552 175.8653 36 V 3.6906 8.5006 125.7327 60.3894 31.5068 175.2343 37 A 3.8015 7.3563 131.1484 55.4112 18.1218 179.5707 38 S 4.4853 7.8967 109.0770 60.3467 63.1271 174.9116 39 K 4.3887 8.1366 118.5932 55.0343 32.8461 176.0160 40 G 3.1688 6.9894 107.4580 46.3631 0.0000 173.6673 41 N 4.7774 7.8663 112.5175 52.1548 38.6189 176.1397 42 L 3.8771 8.4105 122.1603 59.0211 41.6048 178.8234 43 A 4.3410 8.0193 118.3676 54.8941 18.4345 178.7414 44 D 4.4656 7.9473 117.0359 56.8161 41.0484 178.4441 45 V 4.1428 7.8012 110.8080 61.6944 33.9424 176.1200 46 A 4.6936 8.4100 121.0289 49.0498 18.7446 173.5723 47 P 4.4297 0.0000 0.0000 63.8600 31.9283 178.1512 48 G 3.8748 8.7741 108.8642 45.5876 0.0000 173.3345 49 K 4.6430 7.7556 118.8004 55.5144 33.6767 176.3678 50 S 4.5270 8.3802 118.1272 56.4150 67.2774 173.4633 51 I 4.3924 7.9045 123.2849 61.3980 38.0025 175.3344 52 G 4.1212 9.1009 111.3114 47.0956 0.0000 173.7296 53 G 4.3795 9.7330 110.4566 44.4885 0.0000 173.8392 54 D 4.8200 8.0420 119.6234 53.3273 42.7154 175.8980 55 I 4.1853 8.3789 122.0826 61.7932 37.8579 175.0697 56 F 4.8562 8.7670 129.6729 56.4431 40.0200 176.0182 57 S 3.8785 8.0399 121.0239 59.0662 63.8212 173.3172 58 N 3.8845 5.8592 120.3661 55.0705 36.2593 174.2124 *59 R 4.1159 7.4698 118.4744 58.8788 30.4046 178.8497 60 E 4.4697 8.2442 116.6208 55.6594 29.5811 176.7938 61 G 4.0569 8.3208 104.3482 46.1811 0.0000 175.2302 62 K 3.9931 7.6737 120.0422 58.3978 32.2490 177.3218 63 L 3.8890 7.5944 118.0548 51.4367 42.9938 174.5427 64 P 4.2823 0.0000 0.0000 62.9809 31.4962 176.5405 65 G 4.0183 8.4875 112.3167 44.9175 0.0000 172.4435 66 K 4.2043 7.7878 117.2130 55.3177 34.8303 174.1633 67 S 4.4032 8.6723 120.8356 59.2752 62.8149 173.7682 68 G 3.9350 9.0098 116.2083 44.9748 0.0000 173.0265 69 R 4.1744 7.4081 120.7135 55.5341 30.7347 175.7935 70 T 4.6181 9.3643 117.6013 59.6120 71.9079 172.8997 71 W 5.1488 8.5873 123.1537 55.2548 31.9503 175.1206 72 R 5.2233 9.2399 122.7646 54.3125 34.3073 173.9368 73 E 5.9800 9.0422 117.0201 53.9773 33.7387 174.3203 74 A 5.1163 8.3508 120.2155 50.6961 22.7386 175.5166 75 D 5.1197 9.7498 122.0852 54.3867 41.8696 176.0917 76 I 4.6062 8.1725 121.5265 60.0924 40.5453 175.1437 77 N 4.1984 8.5431 121.1230 54.5787 36.6432 173.7078 78 Y 4.4452 7.8896 118.7827 56.7694 40.1572 175.0692 79 T 3.9376 6.9879 114.9509 62.5306 70.8706 173.5594 80 S 4.5021 6.3280 112.0556 58.8623 65.2748 176.1566 81 G 3.8279 8.6549 107.5857 44.7293 0.0000 173.3410 82 F 4.4243 8.7081 117.6687 57.2489 39.6536 175.4938 83 R 4.3348 8.7641 122.2426 56.5109 30.6415 176.5294 84 N 5.0120 8.5075 117.8754 52.0181 40.1094 174.5883 85 S 4.2425 8.4071 111.6849 58.6404 64.6124 172.9082 86 D 5.2604 7.9289 122.2292 53.4627 42.4759 175.8625 87 R 4.9905 8.7915 121.1576 54.5963 35.5884 173.5776 88 I 4.9858 8.6075 120.7121 59.3276 40.8779 174.0143 89 L 5.5379 9.4566 129.8078 53.1698 43.9310 175.0788 90 Y 6.1620 9.6830 121.9537 54.3112 41.6230 174.8062 91 S 4.6684 8.5090 116.1512 55.6925 65.1590 175.1190 92 S 3.4019 7.9980 115.6111 60.5731 62.5952 174.8405 93 D 4.4863 7.2482 118.0554 52.0726 39.3632 175.8243 94 W 3.8361 6.8080 117.2013 58.3902 27.1234 174.1404 95 L 4.7226 8.3783 118.2018 53.8010 43.2695 176.4300 96 I 5.3186 8.5843 124.3841 59.9850 39.7916 174.4384 97 Y 5.3044 9.7512 124.2472 55.9317 42.4460 174.5028 98 K 5.2102 9.6126 119.5484 55.5382 36.5064 175.0196 99 T 4.9189 8.5999 115.7851 60.5315 70.5225 174.0910 100 T 4.8924 8.7215 114.5711 60.0172 70.2423 173.3214 101 D 4.6911 7.6527 122.1826 53.7057 40.3870 174.8327 102 H 3.7632 8.1320 111.8074 58.9186 26.0119 174.5268 103 Y 3.0333 7.0286 109.9910 58.9018 36.2009 172.5871 104 Q 4.0800 7.5520 118.4465 58.7097 29.0143 176.5050 105 T 4.6175 8.2771 113.4074 61.5309 71.4292 173.6729 106 F 5.9436 8.7113 121.8055 55.0083 42.9522 174.4232 107 T 4.8892 8.5910 111.5202 59.7058 72.1857 172.9620 108 K 3.7053 8.8695 126.8503 56.3645 32.4074 176.3300 109 I 4.5332 8.3881 118.5096 60.5671 39.4545 175.6996 110 R 4.1495 7.5835 125.2589 56.8386 30.9158 174.4683 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 *3 V 8.05 4.00 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.43 4.13 1.66 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.47 0.87 0.00 0.00 5 N 8.44 5.15 0.00 2.82 2.87 0.00 0.00 6.49 7.22 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 6 T 7.68 4.54 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 1.21 0.00 0.00 7 L 8.45 3.92 0.00 1.79 1.73 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.11 4.48 0.00 2.74 2.71 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 9 G 7.90 3.81 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 0.00 0.00 0.00 10 V 7.96 3.58 2.09 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 0.91 0.00 0.00 1.05 0.00 0.00 11 A 8.07 4.02 1.45 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 0.00 0.00 12 D 9.47 4.38 0.00 2.85 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 13 Y 8.33 4.09 0.00 3.24 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 14 L 8.35 3.93 0.00 1.66 1.66 0.47 0.37 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 15 Q 7.37 3.62 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 16 T 7.04 3.76 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 0.47 0.00 0.00 17 Y 8.17 3.96 0.00 2.37 2.64 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 0.00 0.00 0.00 0.00 18 H 7.54 3.46 0.00 3.22 3.45 0.00 5.99 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.46 4.66 0.00 1.94 1.87 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.59 7.81 20 L 8.26 4.27 0.00 1.66 1.51 0.75 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.08 0.00 2.27 1.26 0.00 3.46 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.17 0.00 22 D 8.63 4.47 0.00 2.61 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 23 N 8.05 4.62 0.00 2.79 2.89 0.00 0.00 6.15 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 24 Y 7.75 5.22 0.00 3.12 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 25 I 8.46 5.00 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 0.91 0.00 0.00 26 T 8.35 4.55 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 1.39 0.00 0.00 27 K 9.49 4.17 0.00 1.97 2.17 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.26 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.81 1.67 7.81 28 S 8.08 4.20 0.00 4.10 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 0.00 29 E 8.22 3.96 0.00 2.10 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 2.37 2.38 0.00 30 A 8.16 4.09 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 31 Q 8.62 4.23 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 32 A 8.14 4.07 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 33 L 7.87 4.26 0.00 1.89 1.78 0.94 1.02 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 34 G 7.68 4.16 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 0.00 0.00 0.00 35 W 8.56 4.50 0.00 3.21 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 36 V 8.50 3.69 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 0.89 0.00 0.00 0.88 0.00 0.00 37 A 7.36 3.80 0.98 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 38 S 7.90 4.49 0.00 3.87 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 39 K 8.14 4.39 0.00 1.90 1.77 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.22 7.81 40 G 6.99 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 0.00 0.00 0.00 41 N 7.87 4.78 0.00 2.89 3.03 0.00 0.00 5.70 6.67 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 42 L 8.41 3.88 0.00 1.21 1.59 0.26 0.18 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 43 A 8.02 4.34 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.47 0.00 2.85 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 45 V 7.80 4.14 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 0.88 0.00 0.00 1.08 0.00 0.00 46 A 8.41 4.69 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 47 P 0.00 4.43 0.00 2.17 2.16 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 48 G 8.77 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 49 K 7.76 4.64 0.00 1.78 1.58 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.37 7.81 50 S 8.38 4.53 0.00 2.88 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 4.39 1.74 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.60 0.89 0.00 0.00 52 G 9.10 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 0.00 0.00 0.00 53 G 9.73 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 54 D 8.04 4.82 0.00 2.72 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 55 I 8.38 4.19 1.87 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 1.24 0.73 0.89 0.00 0.00 56 F 8.77 4.86 0.00 3.15 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 57 S 8.04 3.88 0.00 3.82 3.75 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 58 N 5.86 3.88 0.00 2.75 2.76 0.00 0.00 6.87 7.65 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 *59 R 7.47 4.12 0.00 1.87 1.83 0.00 3.31 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 60 E 8.24 4.47 0.00 2.07 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 2.35 2.31 0.00 61 G 8.32 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 62 K 7.67 3.99 0.00 1.81 2.01 0.00 1.95 0.00 0.00 2.03 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.49 7.81 63 L 7.59 3.89 0.00 0.36 0.13 -0.58 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.28 0.00 2.33 2.16 0.00 3.10 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.12 0.00 65 G 8.49 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 66 K 7.79 4.20 0.00 1.73 1.55 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.30 7.81 67 S 8.67 4.40 0.00 3.85 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 68 G 9.01 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 69 R 7.41 4.17 0.00 1.67 1.86 0.00 3.19 0.00 0.00 2.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.14 0.00 70 T 9.36 4.62 4.09 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 1.13 0.00 0.00 71 W 8.59 5.15 0.00 3.50 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 72 R 9.24 5.22 0.00 0.67 1.49 0.00 2.99 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 0.00 73 E 9.04 5.98 0.00 2.17 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 0.00 2.53 2.25 0.00 74 A 8.35 5.12 0.97 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 75 D 9.75 5.12 0.00 2.64 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 76 I 8.17 4.61 1.91 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 1.30 0.93 0.97 0.00 0.00 77 N 8.54 4.20 0.00 2.94 2.93 0.00 0.00 6.88 6.75 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 78 Y 7.89 4.45 0.00 3.07 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 79 T 6.99 3.94 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 1.07 0.00 0.00 80 S 6.33 4.50 0.00 3.86 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 81 G 8.65 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 82 F 8.71 4.42 0.00 3.16 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 83 R 8.76 4.33 0.00 1.97 1.95 0.00 3.00 0.00 0.00 3.48 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 84 N 8.51 5.01 0.00 2.84 2.95 0.00 0.00 5.99 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 85 S 8.41 4.24 0.00 3.61 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 86 D 7.93 5.26 0.00 2.76 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 87 R 8.79 4.99 0.00 1.49 1.72 0.00 3.53 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.12 0.00 88 I 8.61 4.99 1.94 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 1.34 1.76 0.98 0.00 0.00 89 L 9.46 5.54 0.00 1.60 1.39 0.97 -0.11 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 90 Y 9.68 6.16 0.00 3.15 3.22 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 91 S 8.51 4.67 0.00 2.81 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 92 S 8.00 3.40 0.00 3.67 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 93 D 7.25 4.49 0.00 2.69 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 94 W 6.81 3.84 0.00 3.54 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 95 L 8.38 4.72 0.00 1.67 1.93 1.10 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.58 5.32 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.22 1.06 0.00 0.00 97 Y 9.75 5.30 0.00 2.84 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 98 K 9.61 5.21 0.00 1.77 1.92 0.00 1.25 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 99 T 8.60 4.92 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 0.72 0.00 0.00 100 T 8.72 4.89 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 1.20 0.00 0.00 101 D 7.65 4.69 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.13 3.76 0.00 3.38 3.54 0.00 6.00 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.03 3.03 0.00 3.18 3.29 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 0.00 104 Q 7.55 4.08 0.00 2.52 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 105 T 8.28 4.62 4.16 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 1.19 0.00 0.00 106 F 8.71 5.94 0.00 2.81 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 0.00 107 T 8.59 4.89 4.29 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 1.27 0.00 0.00 108 K 8.87 3.71 0.00 1.38 1.61 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 0.89 7.81 109 I 8.39 4.53 1.87 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 1.32 0.95 0.92 0.00 0.00 110 R 7.58 4.15 0.00 1.86 1.81 0.00 3.32 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.