NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5758 8.1933 115.4362 57.3913 64.4281 172.7250 3 L 4.1065 8.3594 120.8907 56.2643 41.6550 176.4264 4 G 3.9152 9.7050 114.0779 45.3601 0.0000 173.7075 5 T 4.0536 7.5990 117.3560 63.9130 69.6217 173.0711 6 Y 4.7717 8.5590 123.7559 56.7354 39.0766 175.5195 7 V 3.7435 8.5113 125.9580 61.9937 32.2073 174.0445 8 P 4.2364 0.0000 0.0000 63.1518 31.7461 177.8296 9 G 3.6681 8.9773 113.5190 48.1269 0.0000 174.3447 10 D 4.6310 7.9169 117.0092 53.5421 40.1028 176.4001 11 I 3.8134 7.2890 121.4064 62.5875 38.2383 174.8379 12 T 4.7132 9.2705 124.2829 61.9850 70.3085 173.9544 13 L 5.1000 8.5867 125.8990 52.7200 45.8698 175.5204 14 V 4.9337 8.6802 120.8841 61.2483 34.4796 175.3296 15 D 5.6069 9.4356 128.7652 52.4527 41.3604 177.1804 16 S 4.2556 8.6831 111.8592 60.1316 62.9430 174.3964 17 Y 4.2835 8.4665 118.2823 57.8743 38.0319 176.5149 18 G 3.9826 8.4746 108.8752 45.0925 0.0000 173.3806 19 N 4.5840 8.2967 118.3346 53.1502 39.5380 173.5859 20 E 5.1196 8.8887 125.7017 55.3642 31.0704 175.0182 21 F 5.0142 8.9330 120.3632 55.9900 41.8893 173.1780 22 Q 4.6128 8.5834 118.5454 54.6988 30.3975 176.6684 23 L 3.9294 8.6388 124.1424 58.2758 42.0561 179.6887 24 K 3.9809 8.2903 118.5781 59.7303 32.0434 178.3695 25 N 4.4050 8.3817 117.8740 55.8497 37.7413 175.5944 26 L 4.0751 7.9213 118.9206 53.6974 42.1020 176.6585 27 K 4.3187 7.3230 119.4226 57.9062 32.4794 176.9734 28 G 4.2105 8.8296 109.4693 45.3234 0.0000 173.9305 29 K 4.7802 7.9016 116.0766 53.6532 36.8207 174.3260 30 P 4.7568 0.0000 0.0000 63.1948 32.9396 175.1868 31 I 5.0145 8.6237 122.5089 59.7524 40.6007 174.6486 32 I 4.4213 9.0008 128.8528 59.8987 38.5252 174.3338 33 L 4.8640 8.9225 130.9257 53.4660 43.9755 175.0917 34 S 4.8531 9.3666 121.9006 55.7501 63.9618 170.3486 35 P 5.3902 0.0000 0.0000 62.3225 31.9672 175.6623 36 I 5.0763 9.4123 117.3273 59.9882 41.8271 173.0835 37 Y 4.8012 8.5683 119.6365 56.5544 39.2413 176.6215 38 T 4.0080 8.0863 111.6839 63.3719 69.6027 174.5447 39 H 4.8776 8.0755 119.3227 54.1438 29.6865 174.4780 40 C 5.0680 8.7618 124.2102 54.8753 46.1130 173.3665 41 R 4.2686 8.8999 125.1908 57.7823 30.7605 176.3752 42 A 4.5387 7.5115 116.7000 51.1676 22.5408 174.7935 43 A 3.7291 8.4595 119.9359 53.2952 16.0388 178.9701 44 C 4.5548 7.9176 117.9386 55.7068 41.1909 173.2485 45 P 4.0612 0.0000 0.0000 63.5514 31.8394 176.0196 46 L 3.7201 8.0235 118.8687 55.7180 39.3577 175.8664 47 I 3.7567 7.6232 119.0838 64.3976 38.3097 176.6127 48 T 4.0001 7.8797 116.3156 66.4456 68.1054 176.1328 49 K 3.9950 8.0279 119.8412 59.8780 32.5889 178.4944 50 S 4.1541 7.8837 115.2335 61.5581 62.6958 176.6006 51 L 3.9462 8.5114 122.0733 57.8107 41.1250 179.5796 52 L 4.2844 8.2241 118.2214 57.6418 41.5565 179.2566 53 K 4.2590 7.7918 117.4115 58.3691 32.3593 178.8557 54 V 4.0588 7.4046 117.7869 65.1567 31.9955 177.4321 55 I 3.5897 7.7731 119.8869 64.4036 35.4829 176.6561 56 P 4.4702 0.0000 0.0000 65.2806 30.9291 178.8023 57 K 4.3575 7.9922 116.9149 59.1046 31.9947 179.0092 58 L 4.3790 7.9959 119.0838 57.2532 42.0620 177.4929 59 G 3.8894 6.7508 102.6131 46.3894 0.0000 170.9933 60 T 4.2927 7.8755 118.9392 60.7774 69.4629 172.3817 61 P 4.0568 0.0000 0.0000 64.0115 31.7937 177.1056 62 G 3.3112 8.7791 111.5105 44.9122 0.0000 173.4393 63 K 4.0987 7.0231 114.8737 57.9830 34.2942 177.2022 64 D 4.3666 7.5532 117.5277 56.2375 41.4033 176.3747 65 F 4.6878 6.4554 111.3941 56.0343 40.7226 172.9767 66 W 5.3040 8.8767 120.1321 55.6394 31.3959 175.5537 67 V 4.6695 8.8798 122.9508 61.1794 33.6273 174.3220 68 I 4.9669 8.8008 129.1502 59.8916 39.9862 174.7704 69 T 4.8451 9.2362 125.7645 62.8327 69.9326 173.9221 70 F 5.2771 9.2797 129.3705 56.4165 42.1681 173.8291 71 T 4.3868 8.2035 122.4038 61.6357 67.5921 173.9944 72 F 4.5008 8.5606 123.0634 56.4389 39.2539 175.1365 73 D 3.6736 7.0221 120.9361 52.6841 40.4410 175.1555 74 P 4.2095 0.0000 0.0000 65.3596 31.2850 177.6277 75 K 4.1057 8.0483 117.3869 57.9469 32.3856 177.2357 76 D 4.4759 7.5745 119.7181 54.6585 41.1890 176.6519 77 T 4.4772 9.0404 114.6567 59.5628 72.5108 175.3821 78 L 3.8718 8.2595 121.4545 58.4642 41.9206 178.2006 79 E 3.9206 8.1810 118.5130 59.4322 29.4870 178.4109 80 D 4.3541 7.9576 118.9552 57.3960 40.8714 178.8505 81 I 3.8110 7.7629 113.4981 63.5022 37.6091 178.2635 82 K 3.8134 8.1364 121.7763 59.2938 31.9514 178.7933 83 R 3.8553 8.0965 119.0529 59.2862 30.0511 178.1824 84 F 4.0360 8.4186 120.5238 61.3102 39.4073 176.6266 85 Q 4.0101 8.4468 119.3133 59.3006 28.8393 178.5116 86 K 3.8587 8.0150 120.4201 59.4092 32.0184 178.1745 87 E 3.7165 8.0972 118.8248 58.9424 29.5393 177.5454 88 Y 4.2066 7.4026 113.0536 56.3562 38.4095 175.6974 89 G 3.9114 7.5182 107.2527 46.3269 0.0000 174.2311 90 I 3.5994 7.3784 120.4328 60.5940 37.5055 176.5664 91 D 4.4230 8.6386 123.9349 54.2114 39.8498 177.5829 92 G 4.2163 8.3461 107.5005 45.6686 0.0000 173.7151 93 K 4.1733 8.5704 118.6383 57.2708 32.6221 177.2410 94 G 4.0452 8.8104 114.8122 48.0634 0.0000 173.3804 95 W 5.6468 8.6688 131.0288 55.6946 33.3335 174.3030 96 K 5.2140 9.7058 126.6414 54.6669 35.8099 175.1342 97 V 5.0122 8.5155 121.9767 61.5126 34.0344 174.8295 98 V 5.2965 9.1959 120.4741 59.6388 36.5552 174.2992 99 K 4.8501 8.8723 120.5958 54.5524 36.2345 175.3519 100 A 4.4150 8.4610 122.5091 52.0821 18.5772 177.8045 101 K 4.1943 8.9235 123.7364 59.1050 32.9204 176.9732 102 T 4.7855 7.9262 108.2029 58.7720 72.2012 174.6669 103 S 4.1949 8.7600 117.4419 61.8735 62.6210 176.5790 104 E 4.0091 8.2437 121.3024 59.4774 29.3942 178.4250 105 D 4.3232 7.9064 118.8028 57.2032 40.8870 178.4864 106 L 3.9990 7.8807 120.6964 58.4705 42.0537 179.1402 107 F 4.2982 8.3624 117.2902 59.9206 38.8364 178.0594 108 K 4.0449 8.3948 118.8695 59.2123 31.8175 179.0817 109 L 3.7846 7.8970 120.5824 58.1709 42.0280 179.0069 110 L 3.8775 8.0372 118.9841 57.6830 41.6509 179.0468 111 D 4.4334 8.8184 118.1816 57.3724 41.0265 178.1516 112 A 4.0601 7.8732 120.2533 54.9197 18.5450 178.8721 113 I 4.0285 7.5438 108.2568 60.5138 38.3896 175.0090 114 D 4.4158 7.8251 118.5085 55.5709 39.7427 173.5675 115 F 4.5164 8.2871 115.9046 56.1169 39.9879 176.2617 116 R 3.6537 8.2529 124.4173 56.5532 30.3320 176.5271 117 F 5.0177 8.2667 123.3138 57.3531 38.1788 175.3203 118 M 4.6482 8.6915 125.4390 54.1755 33.7948 175.8566 119 T 4.7151 8.2660 115.2181 61.7797 71.8925 173.5305 120 A 4.6003 8.4950 127.8061 50.2042 21.3127 175.8641 *125 I 3.7962 8.1544 122.2601 61.0478 38.1606 175.2826 126 H 4.1754 8.7414 123.1019 54.9750 28.7258 173.8563 127 P 4.4399 0.0000 0.0000 62.8577 32.5202 175.8222 128 N 5.3412 8.5062 117.1287 52.0122 38.1012 173.3661 129 V 4.9372 7.6814 118.2870 59.9138 35.5283 176.4133 130 V 4.5321 8.6837 123.2120 61.1434 34.3602 174.1492 131 V 4.3604 8.5830 127.6376 60.9681 33.8906 174.1747 132 V 4.6542 8.3170 128.0668 61.1631 33.6099 174.2635 133 L 5.1992 8.6621 128.3300 52.7038 44.5430 176.4531 134 S 4.8618 8.8711 117.0458 56.9930 64.2483 173.4907 135 P 4.7578 0.0000 0.0000 64.3284 31.1653 177.7634 136 E 4.7618 8.1289 116.2681 55.9713 29.7998 176.0499 137 L 3.7410 8.2810 117.6328 55.3911 39.8199 173.6036 138 Q 4.0247 7.7619 120.8662 55.0141 29.6599 174.9196 139 I 3.9724 8.5839 126.9145 61.6611 37.3012 176.4428 140 K 4.3290 8.6018 126.7770 56.7559 34.3763 175.9621 141 D 4.5850 7.3775 117.0496 53.3788 44.6599 173.4470 142 Y 4.8397 8.6084 120.6998 56.1565 40.7049 174.9690 143 I 4.1194 8.5098 125.7231 59.7735 39.4543 174.6731 144 Y 4.6670 8.7171 126.3251 58.8413 37.9279 175.8800 145 G 3.9849 9.2106 112.1427 45.8124 0.0000 171.7186 146 V 4.5786 7.9683 121.0615 61.2082 32.4721 175.9370 147 N 4.6231 9.3015 125.9350 53.8275 40.1290 173.5054 148 Y 2.9393 7.0605 115.3424 58.6653 36.5938 171.9951 149 N 4.7298 7.0359 115.4214 52.1422 34.1327 174.3266 150 Y 4.1983 7.3365 123.6671 61.8564 38.7023 177.9845 151 L 4.0478 8.1599 120.8261 58.0739 42.2015 178.3289 152 E 3.9352 8.3018 118.8654 59.4114 29.5020 178.7699 153 F 3.8657 8.2571 117.5888 60.2678 38.9306 177.7436 154 V 3.6288 8.2892 118.3281 66.1622 31.2864 177.5531 155 N 4.2624 8.6199 116.8452 56.6752 38.6854 176.6430 156 A 3.8881 8.0434 122.2069 55.1541 18.4315 179.6637 157 L 3.8906 8.2834 117.9254 57.5913 41.6393 179.6134 158 R 4.0290 8.1571 118.8600 59.5884 30.1778 178.5362 159 L 3.9605 8.0962 118.5373 57.8111 41.0860 179.4258 160 A 3.9947 8.1794 120.8633 54.9736 18.1324 179.1339 161 R 4.2951 8.0357 113.9311 56.1877 30.4235 177.2178 162 G 3.8415 7.6738 106.4547 46.3464 0.0000 173.7276 163 E 4.2170 8.1482 124.6910 56.1255 29.5851 176.1856 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 S 8.19 4.58 0.00 4.05 4.10 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 3 L 8.36 4.11 0.00 1.78 1.69 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 G 9.71 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 5 T 7.60 4.05 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 1.29 0.00 0.00 6 Y 8.56 4.77 0.00 2.85 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 7 V 8.51 3.74 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 0.62 0.00 0.00 0.83 0.00 0.00 8 P 0.00 4.24 0.00 2.09 1.98 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 9 G 8.98 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 0.00 0.00 0.00 10 D 7.92 4.63 0.00 2.77 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 11 I 7.29 3.81 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.75 0.00 0.00 12 T 9.27 4.71 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 1.13 0.00 0.00 13 L 8.59 5.10 0.00 0.29 1.27 0.58 0.46 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 14 V 8.68 4.93 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 1.13 0.00 0.00 0.93 0.00 0.00 15 D 9.44 5.61 0.00 3.02 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 16 S 8.68 4.26 0.00 3.87 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 17 Y 8.47 4.28 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 18 G 8.47 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 19 N 8.30 4.58 0.00 3.03 2.83 0.00 0.00 6.67 7.66 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 20 E 8.89 5.12 0.00 2.02 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 2.26 2.28 0.00 21 F 8.93 5.01 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.58 4.61 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 23 L 8.64 3.93 0.00 1.58 1.59 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.29 3.98 0.00 2.03 2.07 0.00 1.37 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.47 7.81 25 N 8.38 4.41 0.00 3.02 2.97 0.00 0.00 7.16 7.42 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 26 L 7.92 4.08 0.00 1.75 1.31 0.86 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.32 4.32 0.00 1.88 1.86 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.53 7.81 28 G 8.83 4.21 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 0.00 29 K 7.90 4.78 0.00 1.54 1.51 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.70 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.17 1.34 7.81 30 P 0.00 4.76 0.00 2.15 1.99 0.00 3.76 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 2.18 2.16 0.00 31 I 8.62 5.01 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.24 0.95 0.00 0.00 32 I 9.00 4.42 1.68 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 0.95 0.49 0.85 0.00 0.00 33 L 8.92 4.86 0.00 1.60 1.55 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 34 S 9.37 4.85 0.00 3.88 3.80 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 35 P 0.00 5.39 0.00 2.07 1.86 0.00 4.00 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 1.74 1.91 0.00 36 I 9.41 5.08 1.90 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 1.06 0.00 0.00 37 Y 8.57 4.80 0.00 2.72 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 38 T 8.09 4.01 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 0.79 0.00 0.00 39 H 8.08 4.88 0.00 3.20 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.76 5.07 0.00 2.78 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 41 R 8.90 4.27 0.00 1.88 1.99 0.00 3.27 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 42 A 7.51 4.54 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 43 A 8.46 3.73 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 44 C 7.92 4.55 0.00 2.99 3.05 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 0.00 45 P 0.00 4.06 0.00 2.23 2.23 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 46 L 8.02 3.72 0.00 1.90 1.81 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.62 3.76 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.18 1.02 0.00 0.00 48 T 7.88 4.00 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 0.96 0.00 0.00 49 K 8.03 3.99 0.00 1.99 2.14 0.00 1.87 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 50 S 7.88 4.15 0.00 3.99 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 51 L 8.51 3.95 0.00 2.08 1.90 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.22 4.28 0.00 1.86 1.79 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.79 4.26 0.00 1.80 1.99 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.57 1.63 7.81 54 V 7.40 4.06 1.63 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 0.40 0.00 0.00 0.52 0.00 0.00 55 I 7.77 3.59 2.18 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.35 1.13 0.00 0.00 56 P 0.00 4.47 0.00 2.25 2.19 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 57 K 7.99 4.36 0.00 1.96 1.79 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.74 1.75 7.81 58 L 8.00 4.38 0.00 1.94 1.83 0.62 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 G 6.75 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 60 T 7.88 4.29 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 1.08 0.00 0.00 61 P 0.00 4.06 0.00 2.15 2.15 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 62 G 8.78 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 0.00 0.00 0.00 63 K 7.02 4.10 0.00 1.58 1.62 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.22 7.81 64 D 7.55 4.37 0.00 2.07 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 65 F 6.46 4.69 0.00 3.11 3.06 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 66 W 8.88 5.30 0.00 3.36 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 67 V 8.88 4.67 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 -0.34 0.00 0.00 0.83 0.00 0.00 68 I 8.80 4.97 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 1.05 0.00 0.00 69 T 9.24 4.85 4.68 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 1.25 0.00 0.00 70 F 9.28 5.28 0.00 3.06 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 71 T 8.20 4.39 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 0.93 0.00 0.00 72 F 8.56 4.50 0.00 3.11 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 73 D 7.02 3.67 0.00 1.58 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 0.00 0.00 0.00 74 P 0.00 4.21 0.00 2.22 2.19 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 75 K 8.05 4.11 0.00 1.82 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.37 7.81 76 D 7.57 4.48 0.00 2.58 2.42 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 77 T 9.04 4.48 4.21 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 1.23 0.00 0.00 78 L 8.26 3.87 0.00 1.76 1.70 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.18 3.92 0.00 2.06 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 2.37 2.40 0.00 80 D 7.96 4.35 0.00 2.93 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 81 I 7.76 3.81 1.86 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 1.60 0.62 0.79 0.00 0.00 82 K 8.14 3.81 0.00 1.92 1.94 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.24 7.81 83 R 8.10 3.86 0.00 2.03 2.09 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 84 F 8.42 4.04 0.00 3.32 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 85 Q 8.45 4.01 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 86 K 8.01 3.86 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 87 E 8.10 3.72 0.00 1.89 1.81 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 1.51 2.03 0.00 88 Y 7.40 4.21 0.00 2.57 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 89 G 7.52 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 0.00 0.00 0.00 90 I 7.38 3.60 1.73 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.09 0.67 0.00 0.00 91 D 8.64 4.42 0.00 2.82 2.83 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 92 G 8.35 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 93 K 8.57 4.17 0.00 2.12 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.57 7.81 94 G 8.81 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 0.00 0.00 0.00 0.00 95 W 8.67 5.65 0.00 3.58 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 96 K 9.71 5.21 0.00 1.88 1.82 0.00 1.43 0.00 0.00 1.34 0.00 0.00 2.42 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.45 1.49 7.81 97 V 8.52 5.01 2.21 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 1.09 0.00 0.00 1.17 0.00 0.00 98 V 9.20 5.30 2.32 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 1.08 0.00 0.00 1.28 0.00 0.00 99 K 8.87 4.85 0.00 1.64 1.74 0.00 1.25 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.33 7.81 100 A 8.46 4.42 1.38 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 0.00 101 K 8.92 4.19 0.00 1.74 1.99 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 102 T 7.93 4.79 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 0.00 103 S 8.76 4.19 0.00 3.98 4.21 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 0.00 104 E 8.24 4.01 0.00 2.06 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 2.43 0.00 105 D 7.91 4.32 0.00 2.85 2.73 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 0.00 106 L 7.88 4.00 0.00 1.72 1.69 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.36 4.30 0.00 3.05 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 0.00 108 K 8.39 4.04 0.00 2.03 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.57 7.81 109 L 7.90 3.78 0.00 1.60 1.56 0.61 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.04 3.88 0.00 2.09 2.01 1.07 0.61 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 0.00 111 D 8.82 4.43 0.00 3.26 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 0.00 112 A 7.87 4.06 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 4.03 1.80 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.25 0.73 0.00 0.00 114 D 7.83 4.42 0.00 2.91 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 0.00 115 F 8.29 4.52 0.00 3.00 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 0.00 116 R 8.25 3.65 0.00 1.68 1.79 0.00 3.19 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 117 F 8.27 5.02 0.00 3.23 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 0.00 118 M 8.69 4.65 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 119 T 8.27 4.72 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 0.00 120 A 8.50 4.60 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 *125 I 8.15 3.80 1.84 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 1.40 0.56 0.90 0.00 0.00 126 H 8.74 4.18 0.00 3.13 3.27 0.00 5.71 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 0.00 127 P 0.00 4.44 0.00 2.14 1.71 0.00 4.02 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 128 N 8.51 5.34 0.00 2.81 2.73 0.00 0.00 6.46 7.71 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 0.00 129 V 7.68 4.94 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 0.98 0.00 0.00 0.47 0.00 0.00 130 V 8.68 4.53 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 0.92 0.00 0.00 1.02 0.00 0.00 131 V 8.58 4.36 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 0.15 0.00 0.00 0.79 0.00 0.00 132 V 8.32 4.65 1.88 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 0.93 0.00 0.00 0.68 0.00 0.00 133 L 8.66 5.20 0.00 1.56 1.46 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.87 4.86 0.00 3.94 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 0.00 135 P 0.00 4.76 0.00 2.25 2.14 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 136 E 8.13 4.76 0.00 2.11 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 2.29 2.32 0.00 137 L 8.28 3.74 0.00 2.00 1.83 1.01 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 7.76 4.02 0.00 1.37 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.99 0.00 0.00 0.00 0.00 0.00 1.93 1.43 0.00 139 I 8.58 3.97 1.90 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 1.00 0.51 0.53 0.00 0.00 140 K 8.60 4.33 0.00 1.58 1.74 0.00 1.77 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 141 D 7.38 4.59 0.00 2.64 2.25 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 0.00 142 Y 8.61 4.84 0.00 2.74 2.32 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 0.00 143 I 8.51 4.12 1.44 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.44 0.71 0.00 0.00 144 Y 8.72 4.67 0.00 2.90 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 0.00 145 G 9.21 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 0.00 146 V 7.97 4.58 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 0.80 0.00 0.00 1.11 0.00 0.00 147 N 9.30 4.62 0.00 2.74 2.64 0.00 0.00 6.78 7.12 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 0.00 148 Y 7.06 2.94 0.00 3.10 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 0.00 149 N 7.04 4.73 0.00 2.95 3.02 0.00 0.00 7.04 7.45 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 0.00 150 Y 7.34 4.20 0.00 3.10 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 0.00 151 L 8.16 4.05 0.00 1.85 1.75 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.30 3.94 0.00 2.09 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 2.18 2.34 0.00 153 F 8.26 3.87 0.00 3.19 3.02 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 0.00 154 V 8.29 3.63 2.31 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 1.03 0.00 0.00 1.04 0.00 0.00 155 N 8.62 4.26 0.00 2.93 2.94 0.00 0.00 7.17 7.32 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 0.00 156 A 8.04 3.89 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 0.00 0.00 157 L 8.28 3.89 0.00 1.83 1.75 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.16 4.03 0.00 1.88 2.14 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 159 L 8.10 3.96 0.00 1.84 1.66 0.94 0.95 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 0.00 160 A 8.18 3.99 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 0.00 161 R 8.04 4.30 0.00 1.81 1.99 0.00 3.25 0.00 0.00 3.24 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 162 G 7.67 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 0.00 163 E 8.15 4.22 0.00 2.11 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 2.29 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.