NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.5477 8.2085 109.7155 45.1926 0.0000 172.3110 *20 A 4.1198 8.4456 124.5314 53.1440 19.1482 175.8999 21 D 4.7001 8.6907 120.6421 55.8381 39.3922 173.7437 22 D 4.7404 7.7857 114.4763 53.4611 41.1733 176.5469 23 D 4.6628 7.6601 119.9075 53.4895 40.9579 175.2988 24 K 4.8101 8.2876 118.0432 53.8968 36.4439 174.1737 25 P 4.8877 0.0000 0.0000 62.8948 32.1868 175.4139 26 I 4.8325 8.5508 114.3330 59.4935 41.0851 174.6066 27 Q 4.4959 8.8348 120.0549 54.4044 30.3329 177.3951 28 V 3.5933 8.4270 119.9046 66.2314 31.5214 177.5948 29 N 4.5522 8.0966 113.9824 54.3877 37.2112 175.1491 30 Q 4.3225 7.7968 117.3870 56.1748 29.4223 176.0314 31 L 3.7099 7.4494 118.5931 53.1231 42.6024 175.7298 32 P 4.1615 0.0000 0.0000 62.5762 33.1147 177.1692 33 Q 3.8805 8.6647 121.9292 60.1295 28.7857 179.6838 34 T 3.8741 7.8592 115.5318 66.6210 68.5223 176.3226 35 A 3.5360 7.6178 122.1574 54.9397 18.2779 179.5378 36 Q 3.9491 7.8509 116.5024 59.4745 28.7122 179.1876 37 T 3.9520 8.1836 116.8912 66.4180 68.4410 176.4676 38 F 4.2335 8.6193 122.7736 61.5244 39.4229 177.2688 39 I 4.1933 8.1957 119.3223 64.6541 36.7636 178.6852 40 K 4.0433 8.0538 118.1102 59.5227 31.8760 179.4620 41 T 3.9021 7.9653 115.6080 66.4939 68.5559 175.8826 42 H 4.3840 7.7779 115.0107 55.4592 30.6431 174.9590 43 F 4.7614 8.2138 120.2182 55.8489 39.7577 174.8636 44 P 4.2614 0.0000 0.0000 65.5244 31.5369 176.9563 45 D 4.6801 7.7963 115.5722 54.0730 41.2772 175.9789 46 N 4.6109 7.5415 116.8257 52.8012 39.6575 174.5515 47 K 4.6593 8.3613 120.5106 54.5718 34.6957 175.8555 48 V 4.1601 8.6476 125.2356 63.2142 31.4406 175.5881 49 A 4.2989 9.1628 130.0811 53.6985 19.6351 177.2111 *51 A 4.3938 7.8529 116.6842 51.8241 20.1563 175.4085 52 K 4.8611 8.6087 121.5194 55.9681 37.3797 175.1713 *54 E 4.4885 8.8395 117.8494 56.4008 31.3267 174.8716 55 T 5.0548 8.2725 110.5582 60.1310 72.2809 173.3820 56 D 4.5288 8.9490 122.6476 53.0687 43.9184 176.0091 57 W 3.4346 7.8876 129.7976 58.4062 28.2557 175.4853 58 F 5.1761 9.2505 125.3332 58.4900 38.3595 174.3886 59 D 4.8441 8.5712 123.1564 53.0516 41.7169 175.6509 60 K 5.0584 8.4510 123.5134 54.9870 34.1923 175.7199 61 S 4.8716 8.4808 116.5914 57.0691 66.6639 172.7027 62 Y 5.0581 9.1133 117.6488 56.4225 41.7185 174.4677 63 D 5.4647 9.4032 122.4814 52.5679 45.2598 174.9061 64 V 4.6067 9.0609 122.1816 61.0968 35.0847 174.0303 65 I 4.6940 8.0718 127.4429 59.4963 40.4614 175.2940 66 F 5.2365 8.8701 126.0407 56.5261 40.3518 177.1652 67 T 3.9339 8.9832 111.1443 64.3440 68.5515 175.0691 68 N 4.4385 8.1633 117.6104 52.9924 37.8149 175.7545 69 G 3.5768 8.0224 108.3161 45.0564 0.0000 173.8790 70 D 4.9701 8.4382 120.4651 54.3559 42.2170 175.4150 71 K 4.9402 9.2000 122.9544 54.6090 36.0934 174.7873 72 L 5.1125 8.9223 125.8522 52.7845 45.4334 175.0322 73 E 5.1184 8.6067 122.5024 54.4704 33.1103 174.5148 74 F 5.5333 9.3400 123.9080 55.7744 43.8367 175.0487 75 D 5.2213 9.0885 121.6465 52.1289 41.0928 177.1104 76 K 4.1849 8.6870 117.2616 59.4436 32.4665 177.5507 77 K 4.3362 8.3961 117.1045 55.8217 32.3835 176.5526 78 G 3.7376 8.4043 106.9495 46.0772 0.0000 173.4254 79 I 4.3706 8.3131 121.6030 58.7540 38.2585 175.6597 80 W 4.5524 8.6779 123.1221 56.9071 28.6207 175.7071 81 T 4.5445 9.0273 110.7771 61.7754 71.2056 173.3770 82 E 5.1908 8.0845 122.9730 54.9159 33.6438 173.8770 83 V 4.4108 9.1718 126.7626 61.2385 33.8120 172.9454 84 N 5.1323 9.3781 127.9887 51.2815 39.5087 174.7857 85 C 5.1583 8.5982 130.4639 58.6533 28.5212 176.2435 86 K 3.9463 7.7444 118.0719 59.1771 32.4633 177.3405 87 Y 4.7566 7.9018 116.0135 58.0013 40.0207 175.0022 88 S 4.7555 8.3908 115.6680 57.8981 65.5718 176.6617 89 A 4.5261 8.7459 113.9285 50.5516 21.8088 177.2559 90 V 3.7621 8.2559 120.5426 61.8905 32.3065 174.5110 91 P 4.2358 0.0000 0.0000 62.6787 31.9908 177.8819 92 V 3.5712 8.4206 115.7322 64.2808 31.7057 178.2054 93 A 4.1179 7.7670 121.1639 54.2987 18.4300 178.5089 94 V 3.7684 7.5666 115.1516 64.7326 31.8352 176.2800 95 V 4.1114 7.3490 119.7595 60.8758 32.3547 174.3577 96 P 4.2911 0.0000 0.0000 62.9310 32.7447 176.8184 97 D 4.2686 8.7325 121.7530 57.7182 40.8771 179.1348 98 A 3.6904 7.2782 120.2867 55.0346 18.1125 179.7075 99 I 3.1574 6.7165 117.5425 64.1474 37.1972 178.3031 100 K 3.9209 7.9168 121.8006 60.2856 31.9573 180.0521 101 K 3.9688 8.2219 123.9017 59.8566 31.5530 180.3349 102 Y 4.1445 7.9839 120.6448 60.5434 38.8422 178.2086 103 V 3.8967 8.3153 119.0786 66.0318 31.7693 177.7755 104 A 4.0074 8.3643 120.8629 55.4450 17.9924 179.8036 105 T 3.7754 7.6046 112.8767 66.9359 68.6812 176.4403 106 N 4.0900 7.6202 116.2690 54.4310 40.3266 175.4139 107 Y 4.7972 8.0460 117.5063 55.5940 38.7535 174.0691 108 P 4.4143 0.0000 0.0000 64.4013 32.1009 177.5715 109 D 4.7011 7.9752 114.6348 54.0200 41.7460 176.4251 110 A 4.5140 7.7839 122.3347 51.7723 20.4809 178.7991 111 K 4.4852 8.2445 118.3960 57.4375 34.8178 179.2277 *113 L 4.5203 8.7392 117.4545 54.2829 44.2784 175.2142 114 K 5.0582 8.0001 117.9073 55.0957 36.2208 174.7976 115 I 5.3156 8.7821 125.9210 59.5536 41.6454 173.6881 116 E 5.6393 9.4768 127.2523 55.0693 34.0207 174.5891 117 R 5.1139 9.2054 117.7191 55.4212 32.6235 174.5156 118 D 4.9607 8.1253 120.1748 52.5339 41.1242 175.9165 119 K 4.0935 8.6022 116.7428 57.9695 32.6322 176.6015 120 H 4.5853 8.2615 117.3715 56.7532 32.0859 172.7644 121 D 4.9843 8.8371 117.4532 53.2305 46.0648 173.8757 122 Y 5.2998 9.5938 117.2493 56.4693 41.5961 174.9583 123 E 5.2611 9.5651 121.8309 54.6683 33.2427 174.9380 124 V 5.0407 9.3943 124.5698 61.0092 34.9019 174.1722 125 K 5.0181 9.3285 127.0768 54.7290 34.9569 175.4428 126 L 5.1908 8.7055 125.1154 52.7571 44.0048 178.0287 127 S 4.1307 9.0878 116.5629 61.2470 62.9378 175.0171 128 N 4.6594 8.1955 116.5400 52.6756 36.8841 175.9537 129 G 3.8425 8.4109 109.0578 45.2310 0.0000 173.7379 130 W 4.4086 8.1301 120.6452 56.4841 30.4259 175.1045 131 E 5.2325 9.8395 123.9197 54.6701 32.3622 175.0979 132 I 4.9517 8.8638 124.2610 59.3498 41.4555 174.0272 133 K 5.0838 8.7949 128.1268 54.7791 34.2855 174.8380 134 F 5.3455 9.3095 125.8604 57.2215 42.6978 173.9630 135 D 5.1325 9.2072 123.0887 54.9138 37.4921 178.0096 *137 Q 4.0740 9.1544 114.1369 54.4386 31.0326 175.1059 138 F 4.1915 7.9550 115.3273 58.4588 37.0490 174.7776 139 N 4.5699 8.5452 119.1249 52.8706 38.8652 174.8548 140 V 3.8602 8.2743 123.1300 62.9420 32.0379 175.2492 141 I 4.2338 8.8346 128.8665 63.3342 38.1778 176.1329 142 D 4.8875 7.6548 119.3406 52.8797 45.6078 174.6023 143 I 5.1281 8.2972 121.2923 59.8801 40.6978 174.1392 144 D 4.8756 9.6127 125.6522 52.8178 45.4320 174.7493 145 N 4.3917 7.9868 119.3483 52.3491 39.1248 173.9931 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 0 G 8.21 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 0.00 0.00 0.00 *20 A 8.45 4.12 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 21 D 8.69 4.70 0.00 2.78 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 22 D 7.79 4.74 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 23 D 7.66 4.66 0.00 2.70 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 24 K 8.29 4.81 0.00 1.66 1.67 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.40 7.81 25 P 0.00 4.89 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 26 I 8.55 4.83 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.99 0.00 0.00 27 Q 8.83 4.50 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 28 V 8.43 3.59 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 1.04 0.00 0.00 0.98 0.00 0.00 29 N 8.10 4.55 0.00 2.84 2.92 0.00 0.00 5.98 7.39 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 30 Q 7.80 4.32 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 31 L 7.45 3.71 0.00 1.49 1.17 0.86 0.77 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 32 P 0.00 4.16 0.00 1.92 1.85 0.00 2.85 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 33 Q 8.66 3.88 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 34 T 7.86 3.87 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 1.30 0.00 0.00 35 A 7.62 3.54 -0.05 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 36 Q 7.85 3.95 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 37 T 8.18 3.95 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 1.27 0.00 0.00 38 F 8.62 4.23 0.00 3.51 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 39 I 8.20 4.19 2.23 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.07 1.26 0.00 0.00 40 K 8.05 4.04 0.00 2.03 1.88 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.35 7.81 41 T 7.97 3.90 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 0.83 0.00 0.00 42 H 7.78 4.38 0.00 2.38 2.40 0.00 5.60 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 43 F 8.21 4.76 0.00 3.06 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.13 2.33 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 45 D 7.80 4.68 0.00 2.63 2.70 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 0.00 0.00 0.00 0.00 46 N 7.54 4.61 0.00 1.76 1.99 0.00 0.00 6.81 8.23 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 47 K 8.36 4.66 0.00 1.84 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 0.98 7.81 48 V 8.65 4.16 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 0.75 0.00 0.00 1.11 0.00 0.00 49 A 9.16 4.30 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 *51 A 7.85 4.39 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 52 K 8.61 4.86 0.00 1.92 1.75 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.27 7.81 *54 E 8.84 4.49 0.00 1.87 1.90 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 2.26 2.37 0.00 55 T 8.27 5.05 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 1.17 0.00 0.00 56 D 8.95 4.53 0.00 2.73 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 57 W 7.89 3.43 0.00 3.43 2.40 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 58 F 9.25 5.18 0.00 3.07 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 59 D 8.57 4.84 0.00 2.91 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 60 K 8.45 5.06 0.00 1.55 1.41 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.38 7.81 61 S 8.48 4.87 0.00 3.94 3.76 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 62 Y 9.11 5.06 0.00 3.11 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 63 D 9.40 5.46 0.00 2.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.06 4.61 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 0.36 0.00 0.00 1.04 0.00 0.00 65 I 8.07 4.69 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.46 0.95 0.00 0.00 66 F 8.87 5.24 0.00 3.11 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 67 T 8.98 3.93 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 1.30 0.00 0.00 68 N 8.16 4.44 0.00 2.84 2.97 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.97 0.00 3.04 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 71 K 9.20 4.94 0.00 1.74 1.58 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.43 7.81 72 L 8.92 5.11 0.00 1.31 0.86 1.17 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.61 5.12 0.00 2.02 1.68 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 2.21 2.49 0.00 74 F 9.34 5.53 0.00 3.09 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 75 D 9.09 5.22 0.00 2.92 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 76 K 8.69 4.18 0.00 1.96 2.20 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.52 7.81 77 K 8.40 4.34 0.00 1.89 1.87 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.44 7.81 78 G 8.40 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 0.00 0.00 0.00 79 I 8.31 4.37 2.09 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 1.37 1.00 0.73 0.00 0.00 80 W 8.68 4.55 0.00 3.07 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 81 T 9.03 4.54 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 1.17 0.00 0.00 82 E 8.08 5.19 0.00 2.07 1.76 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 2.27 2.35 0.00 83 V 9.17 4.41 1.76 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 0.98 0.00 0.00 0.32 0.00 0.00 84 N 9.38 5.13 0.00 2.90 2.81 0.00 0.00 6.91 7.30 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 85 C 8.60 5.16 0.00 3.11 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 86 K 7.74 3.95 0.00 1.64 1.89 0.00 1.04 0.00 0.00 1.36 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.96 0.21 7.81 87 Y 7.90 4.76 0.00 3.23 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 88 S 8.39 4.76 0.00 3.98 3.32 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 89 A 8.75 4.53 1.23 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 0.00 0.00 0.00 90 V 8.26 3.76 2.07 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 0.75 0.00 0.00 0.92 0.00 0.00 91 P 0.00 4.24 0.00 1.89 1.69 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.73 0.00 92 V 8.42 3.57 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 0.87 0.00 0.00 0.89 0.00 0.00 93 A 7.77 4.12 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 94 V 7.57 3.77 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 0.32 0.00 0.00 0.47 0.00 0.00 95 V 7.35 4.11 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 0.76 0.00 0.00 0.91 0.00 0.00 96 P 0.00 4.29 0.00 1.80 2.00 0.00 3.58 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.34 0.00 97 D 8.73 4.27 0.00 2.64 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 98 A 7.28 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 6.72 3.16 1.61 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 -0.36 0.74 0.00 0.00 100 K 7.92 3.92 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 101 K 8.22 3.97 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 102 Y 7.98 4.14 0.00 3.28 3.32 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 0.00 103 V 8.32 3.90 2.30 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 0.94 0.00 0.00 1.30 0.00 0.00 104 A 8.36 4.01 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 0.00 105 T 7.60 3.78 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 1.04 0.00 0.00 106 N 7.62 4.09 0.00 1.98 1.70 0.00 0.00 6.89 6.99 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 0.00 107 Y 8.05 4.80 0.00 2.99 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 0.00 108 P 0.00 4.41 0.00 2.02 2.10 0.00 3.67 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 109 D 7.98 4.70 0.00 2.69 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 0.00 110 A 7.78 4.51 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 0.00 111 K 8.24 4.49 0.00 1.81 1.22 0.00 1.36 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *113 L 8.74 4.52 0.00 1.64 1.76 0.88 0.77 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 0.00 114 K 8.00 5.06 0.00 1.82 1.60 0.00 1.57 0.00 0.00 1.59 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.41 7.81 115 I 8.78 5.32 1.95 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.78 0.00 0.00 116 E 9.48 5.64 0.00 2.03 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 2.29 2.33 0.00 117 R 9.21 5.11 0.00 1.31 1.76 0.00 2.42 0.00 0.00 2.72 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.20 0.00 118 D 8.13 4.96 0.00 2.69 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 0.00 119 K 8.60 4.09 0.00 1.71 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.31 7.81 120 H 8.26 4.59 0.00 3.02 3.22 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.84 4.98 0.00 2.56 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 0.00 122 Y 9.59 5.30 0.00 3.10 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 0.00 123 E 9.57 5.26 0.00 1.97 1.90 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 2.30 2.30 0.00 124 V 9.39 5.04 2.50 0.00 0.00 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 1.19 0.00 0.00 125 K 9.33 5.02 0.00 1.78 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.25 7.81 126 L 8.71 5.19 0.00 1.74 1.56 0.66 0.89 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 0.00 127 S 9.09 4.13 0.00 3.94 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 0.00 128 N 8.20 4.66 0.00 3.01 3.05 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.41 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 0.00 130 W 8.13 4.41 0.00 3.14 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 0.00 131 E 9.84 5.23 0.00 1.95 1.84 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 2.21 2.20 0.00 132 I 8.86 4.95 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.09 0.00 0.00 133 K 8.79 5.08 0.00 1.82 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 134 F 9.31 5.35 0.00 3.22 3.01 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 0.00 0.00 0.00 135 D 9.21 5.13 0.00 2.83 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 *137 Q 9.15 4.07 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 138 F 7.96 4.19 0.00 3.27 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 0.00 139 N 8.55 4.57 0.00 3.08 2.77 0.00 0.00 6.69 7.20 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 0.00 140 V 8.27 3.86 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 0.55 0.00 0.00 0.09 0.00 0.00 141 I 8.83 4.23 1.86 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 1.36 1.00 0.92 0.00 0.00 142 D 7.65 4.89 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 5.13 2.00 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 1.23 0.61 1.15 0.00 0.00 144 D 9.61 4.88 0.00 2.76 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 0.00 145 N 7.99 4.39 0.00 1.44 1.72 0.00 0.00 7.19 7.56 0.00 0.00 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.