NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6408 8.2233 120.4567 53.2404 42.5776 177.0656 6 F 5.2193 9.4694 112.0185 56.0520 40.2457 171.6783 7 E 4.9482 9.6380 125.7237 54.4557 32.8815 173.9980 8 E 5.1956 8.5646 121.3976 54.5681 32.8615 174.4122 9 K 4.7719 9.0948 123.8139 54.7063 36.0372 174.2500 10 M 4.8506 8.5129 123.5609 54.2498 32.3673 175.8143 11 I 4.0692 9.0617 125.8892 63.6668 37.6081 176.0617 12 L 4.6741 7.5610 119.9708 54.7808 43.7906 173.6924 13 I 5.3120 8.3307 120.4299 59.8014 40.6013 174.8094 14 R 4.7536 9.0270 123.0384 54.3134 33.2573 174.8488 15 R 4.1141 8.4182 120.7444 54.7730 31.3217 175.4181 16 T 4.4236 8.2206 118.2335 61.9630 71.4436 172.9267 17 A 4.7677 8.0152 118.8552 51.4241 21.9018 176.1997 18 R 4.6095 8.3368 118.3426 54.7189 33.0208 174.5303 19 M 4.9490 8.2002 118.1981 54.0372 34.6870 175.4931 20 Q 4.4458 8.5915 119.6821 54.4657 32.5940 173.5406 21 A 4.0917 8.4638 125.7847 54.2871 18.7772 176.5700 22 G 4.1204 8.6707 109.2881 43.5147 0.0000 173.8335 23 G 3.8649 7.4023 105.8318 45.2281 0.0000 171.4676 24 R 4.3772 7.7399 118.0215 56.2912 31.3823 177.8085 25 R 4.1326 8.1704 120.3041 54.8625 33.1745 175.0057 26 F 4.8509 7.9389 122.4835 57.7640 40.1935 174.4203 27 R 4.8326 8.3471 119.1947 55.4589 34.1293 173.4787 28 F 5.3699 9.4113 120.2092 55.6365 43.4268 174.4868 29 G 4.4431 9.0372 107.4384 44.4450 0.0000 171.3852 30 A 5.4076 8.6446 124.2283 49.9165 22.9091 174.5581 31 L 5.1849 9.0363 125.0373 53.6781 43.9372 175.3415 32 V 4.8684 9.3774 126.7126 61.1192 34.8439 174.2675 33 V 4.9513 8.9576 127.7025 61.3755 34.0748 174.7930 34 V 4.7799 8.3129 125.2659 60.2695 34.8189 174.3427 35 G 4.6575 9.1135 109.9166 45.6983 0.0000 173.3535 36 D 5.1647 8.8802 117.6812 51.7812 39.9887 176.8742 37 R 4.1934 8.4990 118.5406 57.3695 28.0574 176.9106 38 Q 4.2731 10.1338 115.4629 54.9209 29.9366 175.9500 39 G 3.9681 9.0802 105.3575 45.1083 0.0000 173.2086 40 R 5.0500 8.0070 118.1551 54.4202 33.4286 174.7422 41 V 4.8355 8.7719 116.9725 59.5913 36.3480 175.1612 42 G 4.8354 8.8255 109.0236 44.6356 0.0000 171.2846 43 L 5.2917 8.6632 125.6057 53.1211 45.1072 175.2375 44 G 4.5915 9.0888 112.0537 44.7020 0.0000 170.9943 45 F 5.6316 9.3043 127.3354 56.5832 41.4373 174.2840 46 G 4.3383 9.0020 114.1552 44.3020 0.0000 170.9685 47 K 5.2561 8.4865 123.5119 55.0036 34.8661 175.1835 48 A 4.6667 8.9006 123.8838 50.5232 22.7299 175.7682 49 P 4.4893 0.0000 0.0000 64.6904 31.9438 177.3168 50 E 4.3560 7.7746 117.8888 53.0370 33.9364 174.9645 51 V 3.2538 7.9041 126.0655 66.2305 31.4794 176.2817 52 P 4.1226 0.0000 0.0000 66.0848 31.1991 178.4418 53 L 4.1718 7.9199 116.6662 57.4997 41.4897 179.6620 54 A 3.9591 7.7440 120.9326 55.1113 18.4756 179.6029 55 V 3.5586 8.2287 116.9993 66.5497 31.5425 177.4321 56 Q 3.9145 8.5613 119.4396 59.1741 28.9094 177.9905 57 K 3.6613 8.5649 120.3637 59.7046 32.1249 178.6206 58 A 4.2905 8.5635 121.2498 55.2424 18.4203 179.4807 59 G 3.7914 8.3068 104.1335 48.3574 0.0000 174.7941 60 Y 4.1227 7.7330 120.6013 60.8591 38.9607 177.7793 61 Y 4.1281 7.7423 116.7365 60.6505 37.9072 177.8154 62 A 4.7363 8.2149 123.3655 54.8548 18.3411 179.8651 63 R 3.9867 7.8463 113.8453 58.1120 30.1390 178.2777 64 R 4.6441 7.6631 116.6695 55.0548 31.8608 176.0013 65 N 4.9468 8.1533 119.0225 51.5623 39.4444 171.6743 66 M 5.2098 8.2739 121.1202 52.9237 35.0211 175.0238 67 V 4.3133 9.2777 123.4025 61.1520 34.8579 174.3143 68 E 4.9453 8.7630 129.0118 54.7563 29.5154 174.4946 69 V 3.7177 8.7239 127.5585 61.5598 32.4873 174.3320 70 P 4.7677 0.0000 0.0000 61.2285 29.6813 175.4517 71 L 4.3511 7.4632 123.6868 56.5221 42.6662 178.4399 72 Q 4.5170 8.5986 116.0228 56.2679 31.7941 173.7665 73 N 3.9478 8.9811 123.9215 54.4292 37.0765 175.1344 74 G 3.9658 8.2083 106.3988 45.6684 0.0000 172.2009 75 T 4.8071 7.2581 111.8322 60.2651 70.5466 172.0101 76 I 4.5472 7.9173 122.2037 58.7925 38.8463 174.2385 77 P 4.3341 0.0000 0.0000 66.1153 30.9687 175.3300 78 H 4.7113 7.3641 110.7679 54.6176 30.8642 171.6090 79 E 5.4746 8.8539 118.6532 54.7636 30.8168 176.0245 80 I 4.7922 8.2540 115.6133 59.0996 41.8288 173.5733 81 E 5.1190 8.7171 123.1509 54.5848 32.1625 174.6908 82 V 4.5235 8.6640 126.5473 61.0608 35.0070 173.9430 83 E 5.0105 8.9409 126.4028 54.7760 31.6750 175.4743 84 F 4.6791 9.4825 128.9764 57.0759 41.3690 176.1746 85 G 3.6733 8.0595 120.8248 46.8472 0.0000 172.7430 86 A 4.7327 8.7532 125.9144 51.3070 20.5536 174.8816 87 S 5.1957 8.1806 114.4678 57.1237 65.4319 173.3561 88 K 5.1218 9.0365 124.7955 54.6046 35.5657 174.5206 89 I 4.9616 8.8747 126.8314 59.1319 41.6363 174.1883 90 V 4.6227 8.6886 127.6470 61.2537 34.2514 173.9126 91 L 5.1900 8.7755 128.4218 52.8373 44.3396 175.6463 92 K 4.9655 9.5131 125.1304 53.6357 35.5285 173.6537 93 P 4.7616 0.0000 0.0000 63.0266 31.9399 175.3293 94 A 4.8994 8.5420 122.8088 49.9244 22.3678 175.8802 95 A 4.2296 8.4412 121.9390 50.7565 19.4712 175.7482 96 P 5.1004 0.0000 0.0000 63.7682 31.7615 177.4813 97 G 3.9959 9.0864 109.9264 45.7713 0.0000 174.9977 98 T 3.8570 7.4394 116.5161 67.0122 68.8939 173.9039 99 G 3.6850 8.6315 105.6596 43.2654 0.0000 172.5302 100 V 4.1777 7.9115 118.0523 61.4179 30.9904 174.6430 101 I 4.2100 8.4168 125.3606 60.5837 37.5002 174.3384 102 A 4.7672 7.4749 127.0301 51.7439 22.3574 175.4630 103 G 3.8353 8.7098 107.6911 44.1427 0.0000 174.7724 104 A 3.9209 8.5217 120.4031 55.3326 17.7099 179.5405 105 V 3.4480 7.8838 115.6918 66.1885 31.2395 176.4426 106 P 4.2891 0.0000 0.0000 66.1816 31.4302 177.4578 107 R 3.8358 8.5173 118.8228 58.5844 29.9992 177.9625 108 A 3.9594 8.3577 119.9270 55.7452 18.3682 179.8499 109 I 3.7078 7.2106 115.8373 64.1764 37.4215 178.5544 110 L 4.1138 8.2365 120.3699 57.7453 41.5874 178.9995 111 E 3.9670 8.1561 117.9594 59.6656 29.5717 179.2586 112 L 4.2747 7.9047 116.8246 56.2698 41.6383 178.0708 113 A 4.5263 7.9982 120.6796 50.9632 19.3249 176.7847 114 G 3.5953 8.3979 104.9548 47.3850 0.0000 174.2273 115 V 4.4420 7.7310 117.5467 61.1134 33.3163 174.7945 116 T 4.3957 8.8389 123.0767 64.0361 70.4455 173.7213 117 D 5.2646 7.6866 120.5050 52.7985 44.3770 174.7356 118 I 4.7161 8.9280 122.7977 59.9433 42.3075 172.8277 119 L 5.0945 9.4290 128.7220 53.2695 43.9630 175.7418 120 T 5.8045 8.3609 113.1819 59.0733 72.9523 172.7804 121 K 4.8120 8.3103 122.3469 55.2556 36.2980 174.1422 122 E 4.9986 8.8602 126.5472 55.1204 31.3377 175.0579 123 L 4.7109 8.9234 124.2916 53.4707 45.8396 177.6094 124 G 3.9107 8.6606 107.4673 45.6338 0.0000 173.3530 125 S 4.1084 8.9735 116.7686 59.0716 62.6286 175.3985 126 R 4.3421 8.4427 126.8266 56.2802 30.3772 175.8917 127 N 4.3314 8.1550 118.3442 53.1240 39.2450 173.0450 128 P 4.1066 0.0000 0.0000 66.1850 31.3953 178.1272 129 I 3.2066 7.6393 117.3316 64.8126 36.9788 178.0963 130 N 4.7602 8.2225 116.2604 56.0698 38.3393 177.7659 131 I 3.7046 8.3001 121.6920 64.1297 37.2077 178.0108 132 A 3.8671 8.1832 121.9837 55.6178 18.2427 179.1890 133 Y 4.0798 7.4861 114.5510 61.0993 37.7000 178.9861 134 A 3.9862 8.0510 121.7252 55.8524 18.4262 179.1595 135 T 3.7662 8.2331 114.2355 66.9048 68.4912 176.1997 136 M 3.8971 8.1610 119.8479 58.9986 32.0320 179.0364 137 E 3.9864 7.9769 116.6156 59.1956 29.8902 179.0020 138 A 4.1306 8.1996 121.0844 55.5242 18.4304 179.0972 139 L 3.8324 8.3135 117.3506 58.2345 41.5407 179.8156 140 R 3.4184 8.3855 118.9964 59.7019 30.1939 177.7453 141 Q 4.2909 7.8235 115.2067 55.4410 29.3885 176.2563 142 L 4.0390 8.1862 122.2864 55.0261 42.0707 176.5863 143 R 4.7732 8.4552 120.7551 54.4244 33.8755 175.1388 144 T 4.7330 7.8537 113.2847 60.8327 73.1582 175.1180 145 K 3.7685 8.6930 123.7212 60.3975 32.0061 178.0522 146 A 3.9166 8.2021 119.5686 55.8879 18.0205 178.8122 147 D 4.3460 8.0843 115.0836 57.4327 40.9216 179.4912 148 V 3.5791 8.4507 118.9232 66.0977 31.2448 178.0325 149 E 4.0487 8.7059 117.3863 59.0076 29.1957 178.9634 150 R 3.8114 8.0798 119.9944 59.2364 30.2670 177.9389 151 L 4.2742 8.0440 117.2473 56.1549 41.7469 177.8242 152 R 4.5683 7.1044 116.5566 55.8630 30.3104 177.5555 153 K 3.9617 7.5808 118.5970 58.6753 32.2729 177.5877 154 G 3.7129 7.8227 112.3849 46.5686 0.0000 173.6896 *155 E 4.1319 8.1712 118.7132 56.4015 30.4399 176.1702 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 5 D 8.22 4.64 0.00 2.51 2.34 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 6 F 9.47 5.22 0.00 2.98 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 7 E 9.64 4.95 0.00 2.04 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 2.22 2.25 0.00 8 E 8.56 5.20 0.00 2.04 1.85 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 2.18 2.29 0.00 9 K 9.09 4.77 0.00 1.80 1.62 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.34 7.81 10 M 8.51 4.85 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 11 I 9.06 4.07 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.51 0.86 0.00 0.00 12 L 7.56 4.67 0.00 1.66 1.71 0.88 0.65 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 13 I 8.33 5.31 1.95 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 1.47 0.72 1.10 0.00 0.00 14 R 9.03 4.75 0.00 1.91 2.05 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 15 R 8.42 4.11 0.00 1.46 1.70 0.00 2.43 0.00 0.00 2.86 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.00 16 T 8.22 4.42 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 1.25 0.00 0.00 17 A 8.02 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.34 4.61 0.00 1.84 1.99 0.00 2.70 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 19 M 8.20 4.95 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 20 Q 8.59 4.45 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 21 A 8.46 4.09 1.24 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 0.00 0.00 22 G 8.67 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 23 G 7.40 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 24 R 7.74 4.38 0.00 1.08 1.29 0.00 3.20 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 25 R 8.17 4.13 0.00 1.59 1.73 0.00 3.08 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 26 F 7.94 4.85 0.00 2.83 2.78 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 27 R 8.35 4.83 0.00 1.88 1.69 0.00 3.04 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 1.56 1.82 0.00 28 F 9.41 5.37 0.00 3.01 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 29 G 9.04 4.44 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 0.00 0.00 0.00 30 A 8.64 5.41 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 31 L 9.04 5.18 0.00 1.77 1.54 0.64 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.38 4.87 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 0.96 0.00 0.00 0.98 0.00 0.00 33 V 8.96 4.95 2.04 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 0.95 0.00 0.00 0.94 0.00 0.00 34 V 8.31 4.78 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 0.25 0.00 0.00 0.82 0.00 0.00 35 G 9.11 4.66 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 0.00 36 D 8.88 5.16 0.00 2.90 3.16 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 37 R 8.50 4.19 0.00 2.11 2.09 0.00 3.13 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 38 Q 10.13 4.27 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 39 G 9.08 3.97 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 0.00 40 R 8.01 5.05 0.00 2.08 1.95 0.00 3.14 0.00 0.00 3.63 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 41 V 8.77 4.84 2.02 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 0.85 0.00 0.00 0.90 0.00 0.00 42 G 8.83 4.84 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 43 L 8.66 5.29 0.00 1.74 1.59 0.80 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.09 4.59 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 0.00 0.00 0.00 45 F 9.30 5.63 0.00 2.94 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 46 G 9.00 4.34 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 0.00 47 K 8.49 5.26 0.00 1.51 1.69 0.00 0.62 0.00 0.00 1.11 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 0.98 7.81 48 A 8.90 4.67 1.24 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 0.00 0.00 49 P 0.00 4.49 0.00 2.10 2.20 0.00 3.67 0.00 0.00 3.63 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 50 E 7.77 4.36 0.00 1.95 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 0.00 2.16 2.24 0.00 51 V 7.90 3.25 1.79 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 0.71 0.00 0.00 0.25 0.00 0.00 52 P 0.00 4.12 0.00 2.12 2.02 0.00 3.55 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 2.03 2.12 0.00 53 L 7.92 4.17 0.00 1.66 1.70 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.74 3.96 1.47 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 55 V 8.23 3.56 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 1.07 0.00 0.00 0.96 0.00 0.00 56 Q 8.56 3.91 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 57 K 8.56 3.66 0.00 2.00 2.00 0.00 1.97 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.36 7.81 58 A 8.56 4.29 1.58 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 59 G 8.31 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.73 4.12 0.00 2.80 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 Y 7.74 4.13 0.00 3.25 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 62 A 8.21 4.74 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 63 R 7.85 3.99 0.00 1.93 2.07 0.00 3.30 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 64 R 7.66 4.64 0.00 1.76 1.85 0.00 2.36 0.00 0.00 2.95 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 0.00 65 N 8.15 4.95 0.00 2.79 2.87 0.00 0.00 7.04 7.24 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 66 M 8.27 5.21 0.00 1.95 1.97 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 2.61 2.57 0.00 67 V 9.28 4.31 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 0.94 0.00 0.00 0.91 0.00 0.00 68 E 8.76 4.95 0.00 2.01 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 0.00 2.25 2.36 0.00 69 V 8.72 3.72 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 0.89 0.00 0.00 0.92 0.00 0.00 70 P 0.00 4.77 0.00 2.20 2.07 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 71 L 7.46 4.35 0.00 1.66 1.67 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.60 4.52 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.23 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 73 N 8.98 3.95 0.00 2.85 2.88 0.00 0.00 7.37 7.98 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 74 G 8.21 3.97 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 0.00 75 T 7.26 4.81 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 1.26 0.00 0.00 76 I 7.92 4.55 1.85 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 1.45 0.55 0.89 0.00 0.00 77 P 0.00 4.33 0.00 2.18 2.16 0.00 3.73 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 1.77 1.92 0.00 78 H 7.36 4.71 0.00 3.19 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.85 5.47 0.00 1.87 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 2.26 2.22 0.00 80 I 8.25 4.79 1.90 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 1.26 0.89 0.97 0.00 0.00 81 E 8.72 5.12 0.00 1.95 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 2.19 2.28 0.00 82 V 8.66 4.52 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 1.09 0.00 0.00 0.99 0.00 0.00 83 E 8.94 5.01 0.00 1.88 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 0.00 2.22 2.28 0.00 84 F 9.48 4.68 0.00 3.03 3.12 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 85 G 8.06 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 86 A 8.75 4.73 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 87 S 8.18 5.20 0.00 4.09 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 88 K 9.04 5.12 0.00 1.80 1.61 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.37 7.81 89 I 8.87 4.96 1.89 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 1.11 1.21 1.03 0.00 0.00 90 V 8.69 4.62 2.17 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 0.84 0.00 0.00 0.99 0.00 0.00 91 L 8.78 5.19 0.00 1.63 1.54 0.92 0.24 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 92 K 9.51 4.97 0.00 1.74 1.70 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 93 P 0.00 4.76 0.00 2.11 2.27 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 94 A 8.54 4.90 1.19 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 0.00 0.00 0.00 95 A 8.44 4.23 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 96 P 0.00 5.10 0.00 2.05 2.01 0.00 3.72 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 97 G 9.09 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 0.00 0.00 0.00 98 T 7.44 3.86 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 99 G 8.63 3.69 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 0.00 0.00 0.00 100 V 7.91 4.18 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 0.83 0.00 0.00 1.01 0.00 0.00 101 I 8.42 4.21 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 1.16 0.51 0.91 0.00 0.00 102 A 7.47 4.77 1.17 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 0.00 103 G 8.71 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 0.00 104 A 8.52 3.92 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 0.00 105 V 7.88 3.45 2.04 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 1.02 0.00 0.00 0.88 0.00 0.00 106 P 0.00 4.29 0.00 2.24 2.15 0.00 3.72 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 2.23 2.12 0.00 107 R 8.52 3.84 0.00 1.92 2.13 0.00 3.13 0.00 0.00 3.16 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 108 A 8.36 3.96 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 0.00 109 I 7.21 3.71 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.66 0.87 0.00 0.00 110 L 8.24 4.11 0.00 1.80 1.69 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.16 3.97 0.00 1.99 2.00 0.00 0.00 0.00 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 2.57 0.00 112 L 7.90 4.27 0.00 1.69 1.66 0.94 0.50 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 0.00 113 A 8.00 4.53 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 0.00 114 G 8.40 3.60 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 0.00 115 V 7.73 4.44 2.20 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 0.95 0.00 0.00 0.92 0.00 0.00 116 T 8.84 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 1.21 0.00 0.00 117 D 7.69 5.26 0.00 2.54 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 0.00 118 I 8.93 4.72 1.87 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 1.22 1.28 0.91 0.00 0.00 119 L 9.43 5.09 0.00 1.71 1.55 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.36 5.80 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 0.00 121 K 8.31 4.81 0.00 1.85 1.63 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.53 7.81 122 E 8.86 5.00 0.00 1.96 1.85 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 2.32 2.32 0.00 123 L 8.92 4.71 0.00 1.52 1.53 0.93 0.66 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 0.00 124 G 8.66 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 0.00 125 S 8.97 4.11 0.00 3.82 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 0.00 126 R 8.44 4.34 0.00 1.83 1.91 0.00 3.54 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 127 N 8.16 4.33 0.00 2.73 2.71 0.00 0.00 7.21 7.17 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 0.00 128 P 0.00 4.11 0.00 2.10 2.02 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 129 I 7.64 3.21 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.53 0.00 0.00 130 N 8.22 4.76 0.00 2.83 3.13 0.00 0.00 7.08 7.85 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 0.00 131 I 8.30 3.70 2.03 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 1.56 1.22 0.92 0.00 0.00 132 A 8.18 3.87 1.08 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 0.00 0.00 133 Y 7.49 4.08 0.00 2.27 1.50 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 0.00 134 A 8.05 3.99 1.48 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 0.00 0.00 135 T 8.23 3.77 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 136 M 8.16 3.90 0.00 2.02 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.88 0.00 137 E 7.98 3.99 0.00 2.14 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 2.28 2.52 0.00 138 A 8.20 4.13 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 0.00 139 L 8.31 3.83 0.00 1.81 1.69 0.90 0.71 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 0.00 140 R 8.39 3.42 0.00 1.79 2.23 0.00 3.51 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 141 Q 7.82 4.29 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.83 0.00 142 L 8.19 4.04 0.00 1.66 1.55 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.46 4.77 0.00 1.82 1.84 0.00 3.32 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 144 T 7.85 4.73 4.69 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 1.27 0.00 0.00 145 K 8.69 3.77 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.55 7.81 146 A 8.20 3.92 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 0.00 147 D 8.08 4.35 0.00 2.84 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 0.00 148 V 8.45 3.58 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 149 E 8.71 4.05 0.00 2.18 2.20 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 2.55 2.32 0.00 150 R 8.08 3.81 0.00 2.00 2.11 0.00 3.42 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 151 L 8.04 4.27 0.00 1.80 1.71 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.10 4.57 0.00 1.72 1.91 0.00 3.16 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 153 K 7.58 3.96 0.00 1.57 1.84 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.78 1.53 7.81 154 G 7.82 3.71 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 0.00 0.00 0.00 *155 E 8.17 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.