NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.4697 8.2548 109.1210 45.1984 0.0000 174.5000 17 I 3.8916 7.3561 120.1760 62.8463 37.9108 175.2524 18 T 3.9241 7.8781 115.8992 63.7386 70.1239 173.6134 19 G 3.4604 7.6896 113.1756 45.0122 0.0000 171.3191 20 T 4.5263 7.6227 118.6614 61.5693 70.3095 174.4383 21 W 4.7011 8.5638 125.8549 54.8503 33.2352 174.0512 22 Y 5.5415 9.2816 119.7354 56.6242 41.5845 175.1134 23 N 5.5305 9.0700 120.9875 50.7420 40.1477 174.8541 24 Q 4.5380 8.5956 116.3803 56.4151 28.8797 175.5306 25 L 4.6490 8.3007 117.8096 54.7979 42.4302 176.2976 26 G 3.8471 8.3793 103.4235 47.2499 0.0000 174.2577 27 S 5.0058 8.1148 113.0470 56.7872 67.6441 174.5206 28 T 5.1157 8.7457 118.4983 61.7492 72.7059 172.9939 29 F 5.4415 8.4090 119.3586 53.8771 41.7834 173.6149 30 I 4.6170 8.2777 121.8306 59.8436 39.1849 174.9250 31 V 4.9632 8.7277 120.3867 59.6905 35.9062 174.8240 32 T 4.7147 8.7522 118.9553 61.7924 71.5200 173.0993 33 A 4.5214 8.4537 129.4630 49.9757 19.4013 177.0088 34 G 3.7836 8.7594 110.3966 45.8183 0.0000 172.4681 35 A 4.1262 8.6723 122.7166 54.3837 18.7957 177.6521 36 D 4.5603 7.8858 116.4391 53.1839 40.6039 175.6922 37 G 3.2536 7.9304 107.8684 44.5126 0.0000 170.4655 38 A 4.6624 7.7146 121.2701 51.4896 20.3024 177.0748 39 L 5.3443 8.6544 119.7272 53.2059 45.4152 175.9354 40 T 4.9504 8.5742 113.5855 60.1854 72.6480 174.2199 41 G 4.5696 7.9778 109.0506 46.3101 0.0000 171.5723 42 T 5.0592 7.7728 109.1306 60.1082 72.6563 172.2888 43 Y 4.9841 9.7334 127.4119 56.3911 40.7076 173.9741 44 E 5.8829 9.2895 127.0418 53.7600 33.4392 174.4089 *49 N 4.5869 8.6018 114.4933 52.7751 38.8242 174.8332 50 A 3.9970 8.4800 123.1736 55.6265 18.4701 179.4654 51 E 3.9545 7.8061 112.8267 58.2594 30.0386 177.5755 52 S 4.7855 8.3936 114.9198 58.0739 63.4534 172.7881 53 R 5.1586 7.4432 121.6650 55.1781 31.0437 175.1633 54 Y 4.9527 9.4393 123.1563 56.0463 42.5232 174.7561 55 V 4.4335 8.5494 122.2698 62.6596 32.7283 175.0647 56 L 5.1562 8.4414 126.8861 54.6233 44.1203 175.0520 57 T 4.9078 8.5029 112.5309 61.7787 71.5096 173.0090 58 G 5.1672 8.4563 113.0324 47.0578 0.0000 171.8342 59 R 5.6042 8.6210 116.9857 54.9905 34.8998 173.9884 60 Y 5.2816 8.8379 118.5852 55.2137 42.2898 174.1302 61 D 4.4402 9.1037 121.0397 54.1528 40.9022 176.9277 62 S 4.2975 8.2013 120.8437 59.0898 64.1257 174.4321 63 A 4.6561 8.1411 123.7692 50.2652 18.6928 173.4803 64 P 4.8216 0.0000 0.0000 60.3937 33.0203 177.0958 65 A 4.1945 8.3600 121.8628 52.8779 18.7200 177.4706 66 T 4.5234 8.2999 108.8097 61.5887 69.0617 174.7699 67 D 4.5477 8.0435 119.7600 53.9875 39.5699 177.0971 68 G 3.9624 8.2097 107.9644 45.5257 0.0000 174.1744 69 S 4.3276 8.5731 115.8419 58.0340 63.4189 174.1142 70 G 3.9819 8.3159 110.0603 46.2881 0.0000 172.8703 71 T 4.7651 8.6625 116.4080 61.5682 69.8865 174.8627 72 A 4.7453 8.6291 129.5974 52.1953 19.8598 175.9045 73 L 5.0977 8.8682 120.6632 55.3854 44.6501 174.2599 74 G 4.6206 9.3202 105.8099 45.6523 0.0000 171.9698 75 W 5.7561 8.5560 116.7191 55.7526 32.3263 173.4677 76 T 5.2350 9.2581 116.4904 61.8859 72.6426 173.4114 77 V 4.5716 8.4647 123.7346 60.9922 34.4642 174.0792 78 A 4.4359 8.3572 129.8708 50.2787 19.7480 178.1105 79 W 4.4004 9.0343 126.0630 55.0629 27.9020 175.9164 80 K 5.3303 7.8331 118.4488 54.6671 35.4302 174.5880 81 N 5.1097 8.7874 122.8684 51.3926 40.0410 174.2721 82 N 4.1580 8.5948 114.1225 55.7514 38.4670 175.1620 83 Y 4.7081 8.2861 113.7396 57.5156 40.4868 175.5622 84 R 4.6808 7.7958 118.4023 54.8934 33.4082 173.4823 85 N 5.1379 8.5437 121.4538 52.5169 40.7251 173.7012 86 A 4.3395 9.7056 129.6143 51.8104 19.8510 176.2235 87 H 4.1681 8.5947 113.8264 55.9364 26.8948 173.5187 88 S 5.1447 7.4441 110.8859 57.9707 66.7450 174.7364 89 A 4.9654 8.7279 121.2068 50.8421 22.9144 175.1753 90 T 4.9435 8.9183 118.9627 61.7290 71.4271 173.3845 91 T 4.8750 8.4949 116.4444 59.6235 71.8388 173.0904 92 W 4.8850 8.6695 124.3638 54.8120 31.8084 174.5781 93 S 4.7827 8.5859 119.5253 56.8562 64.8494 173.0374 94 G 4.2470 8.3324 113.1574 46.6608 0.0000 171.7680 95 Q 5.2406 8.6828 118.5211 54.3871 33.7468 173.8085 96 Y 5.0202 8.9686 123.7215 56.6177 40.8828 174.2751 97 V 4.1202 8.3827 126.6223 60.9342 34.2218 176.1973 98 G 3.8307 7.9299 118.1194 44.8101 0.0000 170.8396 99 G 3.7545 8.6516 104.8857 44.2149 0.0000 172.7472 100 A 4.0559 8.3693 120.6213 55.4671 18.7546 179.2242 101 E 4.2607 7.8119 117.3400 54.9922 27.9266 174.8699 102 A 4.4933 7.8862 122.6178 51.8494 19.6614 177.5315 103 R 5.2018 9.1002 120.9797 54.5293 34.8085 174.4431 104 I 4.8866 8.9614 123.8496 59.8258 39.6024 174.2469 105 N 5.3661 9.0533 125.8354 52.1532 40.2825 174.5847 106 T 5.2731 9.1886 113.2792 60.1679 73.0441 172.7151 107 Q 5.2950 9.0908 121.2486 54.1352 32.4332 174.6746 108 F 5.2786 9.0147 117.1334 54.9511 41.9912 173.6690 109 L 5.1040 8.7550 118.9292 52.8488 45.2722 175.4356 110 L 4.8966 8.9782 126.4156 53.8130 44.3104 174.8124 111 T 5.0318 8.5483 123.9224 62.1182 70.6701 174.1521 112 S 5.0803 8.9247 122.6117 56.4913 65.0946 174.4160 113 G 3.8013 8.7202 111.9941 46.7400 0.0000 172.8788 114 T 4.7840 8.3421 115.1777 59.5976 72.3401 173.0902 115 T 4.2591 7.9988 110.9206 60.7069 70.3450 175.3185 116 E 3.9529 8.9443 121.2955 59.8619 29.1343 179.4152 117 A 4.1492 8.1128 118.7541 54.7228 18.6324 178.3245 118 N 5.0248 7.9449 111.8653 53.2532 39.1874 176.7068 119 A 4.1157 8.2944 127.3686 54.1616 18.1376 180.3383 120 W 4.3111 8.5136 113.5109 58.4324 28.3270 176.7597 121 K 4.0852 6.8711 118.1834 56.2144 32.1997 177.1709 122 S 4.2529 7.7484 115.8523 60.3029 63.6818 173.3512 123 T 5.0397 7.5509 117.0998 61.7055 70.9675 173.4720 124 L 4.6565 8.7559 127.1904 53.5663 43.7230 176.2298 125 V 4.4904 7.8076 120.9443 60.2280 34.4588 174.7162 126 G 3.5303 6.8282 108.0597 45.8953 0.0000 171.2791 127 H 5.4339 8.2714 114.0869 54.1588 31.8801 172.3097 128 D 4.8802 9.1870 117.5984 53.5893 44.8964 173.8998 129 T 5.2236 8.3863 119.5259 61.8091 72.2844 172.7058 130 F 5.5040 9.5624 124.8482 56.0129 42.2425 174.6038 131 T 5.6003 9.3299 112.1667 59.9361 71.9602 175.2028 132 K 3.6020 8.8043 121.2406 58.0558 32.5340 177.5946 133 V 3.9075 7.6873 122.6762 62.7670 31.5624 174.9266 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 16 G 8.25 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 0.00 0.00 0.00 0.00 17 I 7.36 3.89 1.39 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.36 0.61 0.00 0.00 18 T 7.88 3.92 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 1.17 0.00 0.00 19 G 7.69 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.62 4.53 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 0.54 0.00 0.00 21 W 8.56 4.70 0.00 1.78 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 22 Y 9.28 5.54 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 23 N 9.07 5.53 0.00 2.67 2.38 0.00 0.00 6.87 6.87 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 24 Q 8.60 4.54 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.51 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 25 L 8.30 4.65 0.00 1.69 1.72 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.38 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 0.00 0.00 0.00 27 S 8.11 5.01 0.00 4.16 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 28 T 8.75 5.12 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 0.88 0.00 0.00 29 F 8.41 5.44 0.00 2.85 2.55 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 30 I 8.28 4.62 1.79 0.00 0.00 0.72 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 1.04 0.85 0.00 0.00 31 V 8.73 4.96 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 0.60 0.00 0.00 0.96 0.00 0.00 32 T 8.75 4.71 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 33 A 8.45 4.52 0.66 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 0.00 0.00 34 G 8.76 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 35 A 8.67 4.13 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 36 D 7.89 4.56 0.00 2.62 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 37 G 7.93 3.25 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 0.00 38 A 7.71 4.66 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 39 L 8.65 5.34 0.00 1.79 1.53 0.68 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.57 4.95 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 1.21 0.00 0.00 41 G 7.98 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.77 5.06 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 1.22 0.00 0.00 43 Y 9.73 4.98 0.00 2.90 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 44 E 9.29 5.88 0.00 2.13 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 0.00 2.18 2.11 0.00 *49 N 8.60 4.59 0.00 3.00 3.00 0.00 0.00 5.85 7.67 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 50 A 8.48 4.00 1.15 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 0.00 0.00 51 E 7.81 3.95 0.00 1.82 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 2.09 1.50 0.00 52 S 8.39 4.79 0.00 4.21 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 53 R 7.44 5.16 0.00 1.88 1.96 0.00 3.22 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 54 Y 9.44 4.95 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.55 4.43 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.44 5.16 0.00 1.88 1.64 0.51 0.07 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 57 T 8.50 4.91 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 1.23 0.00 0.00 58 G 8.46 5.17 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 59 R 8.62 5.60 0.00 1.73 1.85 0.00 3.27 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 60 Y 8.84 5.28 0.00 3.00 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 61 D 9.10 4.44 0.00 2.79 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 62 S 8.20 4.30 0.00 3.89 3.40 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 63 A 8.14 4.66 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 64 P 0.00 4.82 0.00 2.27 2.17 0.00 3.45 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.36 4.19 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 66 T 8.30 4.52 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 1.24 0.00 0.00 67 D 8.04 4.55 0.00 2.80 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 68 G 8.21 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 0.00 0.00 0.00 69 S 8.57 4.33 0.00 3.85 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 70 G 8.32 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 71 T 8.66 4.77 4.60 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 1.48 0.00 0.00 72 A 8.63 4.75 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 73 L 8.87 5.10 0.00 2.07 1.94 1.24 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.32 4.62 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 75 W 8.56 5.76 0.00 3.39 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 76 T 9.26 5.23 4.27 0.00 0.00 0.00 0.00 0.00 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 77 V 8.46 4.57 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 -0.54 0.00 0.00 0.78 0.00 0.00 78 A 8.36 4.44 1.15 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 0.00 0.00 79 W 9.03 4.40 0.00 3.26 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 80 K 7.83 5.33 0.00 1.89 1.70 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 81 N 8.79 5.11 0.00 2.87 2.72 0.00 0.00 6.62 6.65 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 82 N 8.59 4.16 0.00 1.44 2.43 0.00 0.00 6.57 7.46 0.00 0.00 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 Y 8.29 4.71 0.00 2.92 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 84 R 7.80 4.68 0.00 2.15 1.90 0.00 3.33 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 85 N 8.54 5.14 0.00 2.67 2.59 0.00 0.00 6.96 7.96 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 86 A 9.71 4.34 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 87 H 8.59 4.17 0.00 3.35 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.44 5.14 0.00 4.00 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 89 A 8.73 4.97 1.15 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 0.00 0.00 90 T 8.92 4.94 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 -0.64 0.00 0.00 91 T 8.49 4.88 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 1.13 0.00 0.00 92 W 8.67 4.88 0.00 1.78 2.06 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 93 S 8.59 4.78 0.00 3.80 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 94 G 8.33 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 0.00 0.00 0.00 0.00 95 Q 8.68 5.24 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 96 Y 8.97 5.02 0.00 3.02 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 97 V 8.38 4.12 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 0.82 0.00 0.00 0.89 0.00 0.00 98 G 7.93 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 99 G 8.65 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 0.00 0.00 0.00 100 A 8.37 4.06 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 0.00 101 E 7.81 4.26 0.00 1.96 1.93 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 2.33 2.43 0.00 102 A 7.89 4.49 1.55 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 0.00 0.00 103 R 9.10 5.20 0.00 1.81 1.89 0.00 3.15 0.00 0.00 3.50 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 104 I 8.96 4.89 1.85 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.18 1.17 0.00 0.00 105 N 9.05 5.37 0.00 2.73 2.81 0.00 0.00 6.06 6.33 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 0.00 106 T 9.19 5.27 4.39 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 1.39 0.00 0.00 107 Q 9.09 5.29 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 108 F 9.01 5.28 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.75 5.10 0.00 1.45 1.48 0.85 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.98 4.90 0.00 1.67 1.59 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.55 5.03 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 1.18 0.00 0.00 112 S 8.92 5.08 0.00 3.63 3.74 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 0.00 113 G 8.72 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 0.00 0.00 0.00 114 T 8.34 4.78 4.19 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 1.20 0.00 0.00 115 T 8.00 4.26 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 1.22 0.00 0.00 116 E 8.94 3.95 0.00 2.05 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 0.00 2.42 2.41 0.00 117 A 8.11 4.15 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 0.00 118 N 7.94 5.02 0.00 2.74 2.68 0.00 0.00 6.87 6.79 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 0.00 119 A 8.29 4.12 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 0.00 120 W 8.51 4.31 0.00 3.62 3.24 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 0.00 121 K 6.87 4.09 0.00 1.13 0.74 0.00 1.26 0.00 0.00 1.22 0.00 0.00 2.80 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.30 0.80 7.81 122 S 7.75 4.25 0.00 4.19 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 0.00 123 T 7.55 5.04 4.19 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 1.16 0.00 0.00 124 L 8.76 4.66 0.00 1.63 1.59 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.81 4.49 1.93 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 0.60 0.00 0.00 0.73 0.00 0.00 126 G 6.83 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 0.00 0.00 0.00 127 H 8.27 5.43 0.00 3.22 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.19 4.88 0.00 3.09 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 0.00 129 T 8.39 5.22 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 1.35 0.00 0.00 130 F 9.56 5.50 0.00 3.08 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 0.00 131 T 9.33 5.60 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 1.39 0.00 0.00 132 K 8.80 3.60 0.00 1.58 1.66 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.84 1.00 7.81 133 V 7.69 3.91 2.05 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 0.72 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.