NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3326 8.2649 123.5862 51.7606 19.1249 177.2470 3 R 4.7669 8.3234 122.5048 56.2100 29.3084 176.7058 4 I 4.0477 8.4677 129.2416 61.4151 36.9797 179.3683 5 A 4.5196 8.8051 130.4848 52.5369 20.2364 179.6421 6 G 3.9116 8.1086 108.0410 47.0728 0.0000 176.8040 7 V 4.1626 8.0918 116.5126 60.9168 30.5688 173.2102 8 E 4.6284 8.6184 120.5146 54.4745 33.0962 175.6221 9 I 4.7894 8.1532 125.7532 58.9114 37.2527 173.3578 10 P 4.5896 0.0000 0.0000 62.5704 32.8732 176.9256 11 R 4.4885 8.0000 117.7360 56.5023 33.9493 174.4904 12 N 4.1306 8.9553 113.8947 54.3591 36.5823 173.8685 13 K 4.7155 7.6906 116.3533 53.8860 36.2352 175.9013 14 R 4.9263 8.2245 118.4146 56.4904 30.3084 178.8078 15 V 4.1673 8.3278 114.9814 61.7866 31.0549 176.7308 16 D 4.7999 8.2744 121.3211 53.2449 41.3853 177.4202 17 V 3.8463 7.5030 117.5804 63.9603 31.9546 177.4703 18 A 3.6476 7.6701 120.4113 55.1356 18.0686 179.3616 19 L 3.9844 7.8009 115.5638 58.1613 41.8686 179.2999 20 T 4.3565 7.4068 116.7637 66.1115 68.0540 175.9631 21 Y 4.9051 7.6464 114.4218 58.4234 37.6300 175.2401 22 I 5.3790 7.8145 121.1537 58.5062 39.8193 174.4404 23 Y 4.0458 8.6948 126.2414 60.1440 38.5740 175.6553 24 G 4.0283 8.6708 115.1464 45.2699 0.0000 172.7940 25 I 4.2441 7.9191 120.2832 59.3490 41.1724 174.7597 26 G 4.1534 7.8719 112.2566 42.7252 0.0000 172.3321 27 K 3.7835 8.7679 118.1153 60.5080 31.6145 177.3894 28 A 4.0883 8.0736 119.5220 54.2536 18.5454 178.5392 29 R 3.9446 7.8622 116.7245 58.2937 30.6110 178.0127 30 A 4.2533 7.9379 122.1125 54.2840 18.1337 179.4514 31 K 4.5020 8.1704 116.3577 56.2404 33.2360 177.5112 32 E 4.6579 8.8987 118.3963 58.0310 31.3922 177.5548 33 A 4.6076 8.0835 118.8744 54.0279 19.0428 178.5999 34 L 4.2716 8.0424 116.6088 57.3479 42.6208 179.1850 35 E 3.9831 8.2450 116.3911 59.3610 29.8339 178.5615 36 K 4.1819 7.8989 115.8969 56.4832 31.4061 178.1690 37 T 4.4036 8.0412 105.3929 61.7131 70.0744 173.4639 38 G 3.9451 8.1236 107.9598 46.8025 0.0000 173.9205 39 I 4.1077 7.5211 120.8342 58.8494 36.6712 175.2931 40 N 4.1976 8.7468 123.8548 53.5594 38.9627 173.1581 41 P 4.3597 0.0000 0.0000 65.4331 31.7551 176.7291 42 A 4.4321 7.8183 120.8811 52.9309 18.9241 176.5571 43 T 4.9465 7.5394 113.5577 62.0518 71.2853 172.8098 44 R 5.2677 7.9573 116.5588 55.2946 34.1698 176.1618 45 V 3.6904 8.3076 120.0513 65.3654 31.8593 177.1729 46 K 3.9248 8.1141 120.3779 58.9649 31.9939 176.0412 47 D 4.5488 7.8184 118.2505 52.2448 40.9697 174.6130 48 L 4.4045 8.1954 120.8746 53.4751 43.0437 175.2921 49 T 3.9465 9.2072 120.3825 63.9366 70.3455 174.9469 50 E 3.9310 8.9845 123.4352 59.7420 29.4405 179.6658 51 A 3.9722 7.9844 119.9180 55.5041 18.5676 179.3527 52 E 3.9513 8.2034 116.3029 59.7193 29.4241 179.4340 53 V 3.6051 7.9325 118.5510 65.9483 31.4484 178.1961 54 V 3.5898 8.4151 118.4326 66.0004 31.7078 177.9602 55 R 4.0405 8.7288 118.9638 59.0682 29.6897 178.2403 56 L 3.9778 7.8037 119.3200 58.2376 42.5093 178.7598 57 R 4.0758 8.2457 118.2365 59.6606 29.8927 176.9134 58 E 4.5459 8.3218 120.9820 58.1023 29.0173 177.2665 59 Y 4.2309 7.7923 118.2490 58.7892 38.4189 176.1744 60 V 4.3728 8.0412 115.8912 64.5398 33.6121 176.4576 61 E 4.4379 8.6525 117.9184 56.9591 29.7961 177.6989 62 N 4.7638 7.7455 114.4025 55.2706 41.3659 176.6798 63 T 3.5656 7.5465 113.4130 64.1171 67.7505 174.3463 64 W 4.6467 7.0961 121.0647 55.2486 29.9829 177.6472 65 K 4.0020 8.6812 122.5634 58.0176 32.3058 177.3863 66 L 4.8442 7.9693 115.5589 55.5002 39.9914 172.7238 67 E 4.0265 8.7020 120.4689 56.3088 30.6961 178.8688 68 G 3.6164 9.8728 109.6600 45.0096 0.0000 173.1683 69 E 5.9800 7.8928 130.2137 55.1348 32.0618 175.3704 70 L 4.5940 8.6995 124.9503 56.2961 43.4969 178.1261 71 R 3.7318 7.8606 117.6555 59.7147 29.9792 177.5259 72 A 3.9608 8.1412 120.2202 55.3029 18.2043 179.3544 73 E 3.7975 8.4634 117.7953 59.4450 29.9829 178.7684 74 V 3.5771 7.9850 117.6594 66.4025 31.3653 177.7303 75 A 4.0092 8.0922 119.8908 54.9433 17.9591 179.3892 76 A 3.9646 7.6809 118.6029 55.2905 18.7246 179.3439 77 N 4.4302 8.9391 115.4508 56.6141 38.6956 177.4528 78 I 3.7357 7.5758 120.7117 64.5613 37.2655 178.2567 79 K 3.9018 8.4605 120.5778 59.5727 31.8738 178.7393 80 R 3.9188 8.0798 119.0278 59.2853 30.0794 178.3127 81 L 4.1394 7.9566 118.2561 56.7190 41.2891 177.5652 82 M 4.7327 7.6539 118.0137 55.5946 33.4970 176.2990 83 D 4.3771 8.3932 117.8683 54.0335 39.7289 176.7143 84 I 3.9214 8.2828 126.2068 61.1637 38.8867 176.5225 85 G 3.8649 8.3234 108.0152 46.4077 0.0000 172.5062 86 C 4.5203 7.4917 116.4960 57.9352 32.8571 173.5719 87 Y 4.1323 8.4430 120.1083 61.2333 38.4459 177.8292 88 R 3.9360 8.0672 117.6264 58.8311 30.5842 178.6793 89 G 4.3853 7.8322 106.4782 47.9605 0.0000 174.2594 90 L 4.2224 7.8473 121.1712 54.6150 44.1343 178.4607 91 R 4.1131 8.5229 114.7753 57.7791 29.1212 177.6386 92 H 4.6896 8.3107 114.0208 56.5723 30.7669 176.8424 93 R 4.0838 7.4644 116.9121 58.4509 30.0197 177.5253 94 R 4.2103 7.9925 113.9400 55.1748 31.2078 176.0245 95 G 3.9480 7.3800 105.1543 46.2755 0.0000 171.7060 96 L 4.7410 8.5688 117.8181 52.2283 46.6040 174.9244 97 P 4.3881 0.0000 0.0000 62.7320 31.8405 177.7727 98 V 4.1209 8.0837 127.6125 61.3152 29.9749 175.6796 99 R 4.6163 7.1934 116.6945 56.2968 31.6974 176.4095 100 G 3.9826 8.5772 104.4955 46.4698 0.0000 172.8766 101 Q 4.4785 7.8334 121.6632 53.6816 33.1784 175.2846 102 R 4.0521 8.4886 119.7807 56.7843 29.0385 176.0841 103 T 4.3129 8.2978 116.1214 62.3394 69.8191 176.9261 104 R 3.7449 8.0069 122.1143 58.9447 30.9542 176.1162 105 T 4.2813 7.2887 109.9234 62.7438 69.7616 173.7348 106 N 3.7529 7.6605 117.7749 52.3320 36.6097 173.4595 107 A 4.9118 8.3817 130.2401 52.1042 21.0047 177.6621 108 R 3.9724 7.5779 118.1924 59.6481 30.2175 178.8314 109 T 3.8843 7.3640 114.3895 66.4813 68.5082 176.1293 110 R 4.5069 7.6743 118.2166 56.1094 30.6650 176.7441 111 K 4.3175 7.7027 117.8824 54.7132 34.4768 176.9955 112 G 3.7749 8.7135 114.8231 43.6601 0.0000 168.1948 113 P 4.0016 0.0000 0.0000 61.5889 32.2943 174.1031 114 R 4.5905 8.2978 117.6563 54.7576 31.8293 176.9790 115 K 4.4316 8.1073 121.5179 54.2143 31.7703 176.8201 116 T 3.8127 8.3688 116.1238 64.3806 68.9836 172.9990 117 V 3.4835 8.3206 124.7263 62.6114 30.8093 174.3732 118 A 4.6758 9.0979 128.0431 49.7448 22.2537 174.1690 119 G 3.7179 7.7596 112.8763 45.3361 0.0000 172.1895 120 K 4.5771 7.8711 127.5317 53.9832 34.8392 174.6532 121 K 4.7996 8.1520 120.1984 54.8409 35.9318 176.3572 122 K 4.5297 8.1550 114.7961 55.7192 34.4377 177.0308 123 A 4.6440 7.2521 115.4494 51.4794 21.6362 174.6888 124 P 4.5771 0.0000 0.0000 63.1239 30.0663 180.6437 125 R 4.0456 8.9706 126.0809 56.7674 28.2901 175.8558 *126 K 4.1330 7.9855 122.6544 54.2368 32.4047 176.2192 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 A 8.26 4.33 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 3 R 8.32 4.77 0.00 1.91 1.95 0.00 3.28 0.00 0.00 3.90 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 4 I 8.47 4.05 1.92 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 1.38 0.73 0.97 0.00 0.00 5 A 8.81 4.52 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 6 G 8.11 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 7 V 8.09 4.16 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 0.87 0.00 0.00 0.93 0.00 0.00 8 E 8.62 4.63 0.00 1.94 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 2.25 2.29 0.00 9 I 8.15 4.79 1.89 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 1.49 0.60 0.95 0.00 0.00 10 P 0.00 4.59 0.00 2.22 2.18 0.00 3.86 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 11 R 8.00 4.49 0.00 1.85 1.86 0.00 3.29 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 12 N 8.96 4.13 0.00 2.82 2.87 0.00 0.00 6.57 7.61 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 13 K 7.69 4.72 0.00 1.73 1.57 0.00 1.69 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.50 7.81 14 R 8.22 4.93 0.00 2.00 2.04 0.00 3.49 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 15 V 8.33 4.17 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 0.70 0.00 0.00 0.93 0.00 0.00 16 D 8.27 4.80 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 17 V 7.50 3.85 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 0.80 0.00 0.00 0.85 0.00 0.00 18 A 7.67 3.65 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 19 L 7.80 3.98 0.00 1.59 1.74 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.41 4.36 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 1.25 0.00 0.00 21 Y 7.65 4.91 0.00 3.15 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 22 I 7.81 5.38 2.11 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 1.21 1.29 0.99 0.00 0.00 23 Y 8.69 4.05 0.00 3.00 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 24 G 8.67 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 25 I 7.92 4.24 1.96 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 0.86 0.58 0.78 0.00 0.00 26 G 7.87 4.15 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 0.00 27 K 8.77 3.78 0.00 1.83 1.82 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.59 7.81 28 A 8.07 4.09 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 29 R 7.86 3.94 0.00 1.36 1.27 0.00 2.21 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.19 0.00 30 A 7.94 4.25 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 31 K 8.17 4.50 0.00 1.78 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.43 7.81 32 E 8.90 4.66 0.00 2.14 2.14 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 2.37 2.57 0.00 33 A 8.08 4.61 1.60 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 0.00 0.00 0.00 34 L 8.04 4.27 0.00 1.76 1.88 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.24 3.98 0.00 2.15 2.22 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 2.64 2.31 0.00 36 K 7.90 4.18 0.00 1.56 1.25 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.85 1.70 7.81 37 T 8.04 4.40 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 1.20 0.00 0.00 38 G 8.12 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 39 I 7.52 4.11 1.89 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 1.19 0.83 0.92 0.00 0.00 40 N 8.75 4.20 0.00 2.65 2.77 0.00 0.00 7.26 7.69 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 41 P 0.00 4.36 0.00 2.08 2.09 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 42 A 7.82 4.43 1.26 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 0.00 0.00 43 T 7.54 4.95 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 1.29 0.00 0.00 44 R 7.96 5.27 0.00 1.97 1.79 0.00 3.53 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 45 V 8.31 3.69 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 0.79 0.00 0.00 0.98 0.00 0.00 46 K 8.11 3.92 0.00 1.76 1.85 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.45 7.81 47 D 7.82 4.55 0.00 2.77 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 48 L 8.20 4.40 0.00 1.72 1.64 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.21 3.95 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 50 E 8.98 3.93 0.00 1.97 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 0.00 2.41 2.36 0.00 51 A 7.98 3.97 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 52 E 8.20 3.95 0.00 2.17 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 0.00 2.41 2.38 0.00 53 V 7.93 3.61 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 1.09 0.00 0.00 0.98 0.00 0.00 54 V 8.42 3.59 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 0.87 0.00 0.00 1.02 0.00 0.00 55 R 8.73 4.04 0.00 1.93 1.99 0.00 3.14 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 1.64 1.63 0.00 56 L 7.80 3.98 0.00 1.99 1.93 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.25 4.08 0.00 1.95 2.16 0.00 3.16 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 1.66 1.72 0.00 58 E 8.32 4.55 0.00 2.27 1.86 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 2.64 2.33 0.00 59 Y 7.79 4.23 0.00 2.77 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 60 V 8.04 4.37 2.29 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 1.10 0.00 0.00 1.21 0.00 0.00 61 E 8.65 4.44 0.00 2.12 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 2.33 2.33 0.00 62 N 7.75 4.76 0.00 2.99 2.74 0.00 0.00 6.98 6.93 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 63 T 7.55 3.57 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 -0.21 0.00 0.00 64 W 7.10 4.65 0.00 3.31 3.27 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 0.00 65 K 8.68 4.00 0.00 2.17 2.04 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.54 7.81 66 L 7.97 4.84 0.00 1.93 2.08 1.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.70 4.03 0.00 1.92 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 2.20 2.30 0.00 68 G 9.87 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 0.00 0.00 0.00 0.00 69 E 7.89 5.98 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 2.06 2.12 0.00 70 L 8.70 4.59 0.00 2.08 1.83 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.86 3.73 0.00 1.43 1.86 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 72 A 8.14 3.96 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 73 E 8.46 3.80 0.00 2.33 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 0.00 2.33 2.33 0.00 74 V 7.99 3.58 2.26 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 1.04 0.00 0.00 1.03 0.00 0.00 75 A 8.09 4.01 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 76 A 7.68 3.96 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 77 N 8.94 4.43 0.00 2.88 2.90 0.00 0.00 7.02 7.40 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 78 I 7.58 3.74 2.04 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 1.47 0.92 0.90 0.00 0.00 79 K 8.46 3.90 0.00 1.90 1.98 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 80 R 8.08 3.92 0.00 2.03 2.11 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 81 L 7.96 4.14 0.00 2.00 1.69 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.65 4.73 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.67 0.00 83 D 8.39 4.38 0.00 2.84 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 84 I 8.28 3.92 1.88 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 1.24 0.85 0.92 0.00 0.00 85 G 8.32 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 86 C 7.49 4.52 0.00 3.21 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 87 Y 8.44 4.13 0.00 2.91 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 88 R 8.07 3.94 0.00 1.79 1.87 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 89 G 7.83 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 0.00 0.00 0.00 0.00 90 L 7.85 4.22 0.00 1.70 1.59 0.96 1.02 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 91 R 8.52 4.11 0.00 1.68 1.99 0.00 3.07 0.00 0.00 3.09 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 92 H 8.31 4.69 0.00 3.56 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.46 4.08 0.00 1.88 1.97 0.00 3.39 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 94 R 7.99 4.21 0.00 1.76 1.94 0.00 3.38 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 95 G 7.38 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 96 L 8.57 4.74 0.00 1.50 1.52 0.91 1.22 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 97 P 0.00 4.39 0.00 2.19 2.08 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 98 V 8.08 4.12 1.96 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 0.66 0.00 0.00 0.69 0.00 0.00 99 R 7.19 4.62 0.00 1.79 1.86 0.00 3.42 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 100 G 8.58 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 0.00 101 Q 7.83 4.48 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.07 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 102 R 8.49 4.05 0.00 1.76 1.89 0.00 3.28 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 103 T 8.30 4.31 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 0.00 104 R 8.01 3.74 0.00 1.80 2.02 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 105 T 7.29 4.28 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 0.00 106 N 7.66 3.75 0.00 2.73 2.83 0.00 0.00 6.72 7.23 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 0.00 107 A 8.38 4.91 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 0.00 108 R 7.58 3.97 0.00 1.93 2.01 0.00 3.19 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 109 T 7.36 3.88 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 0.00 110 R 7.67 4.51 0.00 1.79 1.93 0.00 3.16 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 111 K 7.70 4.32 0.00 1.91 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.35 7.81 112 G 8.71 3.77 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 0.00 0.00 0.00 113 P 0.00 4.00 0.00 2.33 2.11 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 114 R 8.30 4.59 0.00 1.81 1.87 0.00 3.16 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 115 K 8.11 4.43 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 116 T 8.37 3.81 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 0.00 117 V 8.32 3.48 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.96 0.00 0.00 118 A 9.10 4.68 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 0.00 119 G 7.76 3.72 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 0.00 0.00 0.00 120 K 7.87 4.58 0.00 1.70 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.36 7.81 121 K 8.15 4.80 0.00 1.70 1.66 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.48 7.81 122 K 8.15 4.53 0.00 1.67 1.76 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.35 7.81 123 A 7.25 4.64 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 0.00 124 P 0.00 4.58 0.00 2.05 1.44 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 125 R 8.97 4.05 0.00 1.77 1.86 0.00 3.27 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 *126 K 7.99 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.