NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5179 8.1633 120.2804 55.1381 34.0298 173.8260 2 K 4.6694 8.4590 124.5141 55.0922 33.8024 171.2799 3 V 4.9568 9.7665 118.7944 59.9259 37.4565 173.7816 4 I 4.8460 8.5683 123.8123 59.6063 39.0709 175.8656 5 L 4.3646 8.3865 127.4251 55.0733 42.5428 175.7869 6 L 4.5910 8.4937 117.0123 56.4444 43.5468 177.0771 7 E 4.2279 7.9466 119.5936 55.0498 30.5337 175.0851 8 P 5.1294 0.0000 0.0000 62.2447 32.0516 175.5311 9 L 4.8138 7.9573 120.0803 52.4290 44.8342 174.8132 10 E 4.2060 8.4871 120.2313 56.7713 30.0429 176.6143 11 N 4.5534 10.2676 123.6013 53.7211 37.9842 174.3829 12 L 4.4532 7.2773 113.8596 55.8789 41.9572 174.1479 13 G 3.7732 8.1087 112.7070 46.7323 0.0000 170.1398 14 D 4.4504 8.1792 121.1016 53.9000 40.9243 177.4649 15 V 3.6984 8.5629 117.6926 61.7643 31.9263 176.1747 16 G 3.9097 8.4181 105.5864 46.4857 0.0000 172.6765 17 Q 4.3110 7.8681 121.4985 54.7136 30.3105 174.9155 18 V 4.4068 8.4266 127.7166 62.6393 32.1013 175.3795 19 V 4.6822 9.1235 127.9512 59.7712 35.1559 174.2100 20 D 5.2091 8.7071 122.4268 52.8843 40.3878 175.7540 21 V 4.6174 8.8878 117.3393 58.5487 35.6755 175.2628 22 K 4.1414 8.7023 122.4230 55.8966 32.8518 175.1555 23 P 4.3555 0.0000 0.0000 65.8731 31.1377 178.5085 24 G 3.7267 8.1926 103.5606 48.1225 0.0000 174.4118 25 Y 4.7537 8.2315 121.9367 60.5751 38.6333 177.7825 26 A 3.8291 8.2516 121.2990 55.3403 18.2682 179.5508 27 R 3.9020 8.2647 115.5420 59.1889 30.4281 178.3530 28 N 4.9446 8.9271 113.1271 53.9489 39.2967 174.5354 29 Y 4.6952 8.4192 120.2719 58.0655 41.9160 176.8251 30 L 3.6733 8.1055 118.2852 58.0203 42.6628 179.7848 31 L 4.0236 8.2702 119.9849 57.6672 42.2362 177.4395 32 P 4.2355 0.0000 0.0000 65.3405 31.3354 177.2414 33 R 4.1522 8.2814 115.1378 55.1957 30.1623 176.2985 34 G 3.8974 7.4751 105.9894 46.9312 0.0000 174.3587 35 L 4.5330 8.1287 117.4776 54.1983 43.3002 176.6024 36 A 4.6502 7.1777 118.8918 51.5733 22.0786 175.1712 37 V 4.4853 8.2876 118.0079 60.8135 35.8774 174.4813 38 L 4.3058 8.4729 124.0395 54.0677 41.7113 178.5624 39 A 4.5027 8.6156 129.6629 52.3127 15.0572 176.4341 40 T 4.4533 7.5796 112.2497 59.4887 71.5629 176.8022 41 E 3.9954 8.7916 125.1151 59.9832 29.6211 179.2185 42 S 4.0676 8.3026 112.1019 62.3036 62.2102 176.0341 43 N 4.3146 8.1006 117.8755 56.0105 38.4409 177.0530 44 L 3.9186 8.7791 123.3259 58.2354 42.0632 179.3640 45 K 3.9464 8.6373 118.5478 60.0439 32.2278 178.8656 46 A 3.9662 7.9501 122.0204 54.4584 18.1025 179.4802 47 L 3.8640 8.3065 119.5140 58.4161 42.2181 178.3982 48 E 3.8431 8.0697 119.0691 60.1231 29.4900 178.0248 49 A 3.9259 8.2217 119.7410 55.8782 18.1254 179.3083 50 R 4.0167 7.8690 116.7755 58.9391 30.6706 178.5878 51 I 4.0103 7.7381 121.2525 63.3941 37.1475 178.0602 52 R 3.8624 8.8669 116.6605 59.7948 29.5122 179.1240 53 A 3.8748 7.6832 122.3484 54.0972 18.5907 178.8080 54 Q 4.1689 8.0129 116.0454 57.3519 29.5500 177.0423 55 A 4.1849 8.2537 121.3662 53.7160 18.6334 178.3925 56 K 4.3810 7.8864 116.6641 58.1367 34.1159 178.4632 57 R 3.8999 7.6959 119.2819 58.3852 30.1419 176.7863 58 L 4.2410 7.7184 117.8051 56.1004 42.5267 177.0849 59 A 4.4955 7.7351 119.0759 52.2782 18.7595 178.2015 60 E 4.1250 7.7456 120.7953 59.9013 29.7435 178.4146 61 R 4.1670 7.8291 114.6388 57.3319 28.9829 177.6089 62 K 4.3864 7.8291 120.0418 57.5216 33.1217 177.4532 63 A 4.2667 8.2605 120.9305 53.8642 18.3876 178.5818 64 E 4.3521 8.0456 114.8488 57.5580 30.4685 177.4760 65 A 4.2222 7.5594 120.4076 53.5712 18.4626 178.4793 66 E 4.3222 7.6317 113.5538 57.2336 30.3831 177.0660 67 R 4.6493 7.2442 115.2859 56.1010 31.1391 176.2540 68 L 4.5654 7.6039 119.4231 56.5019 44.0264 178.2486 69 K 3.9000 7.9073 119.5102 59.8189 32.0747 177.8751 70 E 4.3280 8.2229 115.0608 57.4901 29.8153 176.6341 71 I 4.3651 8.3599 112.3634 62.4318 39.4017 177.8245 72 L 4.2828 7.7842 119.9764 56.1144 41.8263 178.6896 73 E 4.2972 7.8028 119.2352 57.9144 29.7850 177.0961 74 N 4.6359 7.9211 114.3648 54.2226 39.7493 175.1726 75 L 4.3517 8.4642 121.0808 54.3039 42.9639 175.4071 76 T 4.9623 8.1355 114.7951 59.8620 71.4032 173.9761 77 L 3.8530 8.5277 125.1758 58.1360 41.8737 174.9622 78 T 3.9092 7.8459 124.5439 64.3788 65.0010 170.5585 79 I 4.3462 7.7676 126.6824 58.5733 39.2169 175.1457 80 P 4.7201 0.0000 0.0000 62.1846 30.4697 177.3392 81 V 3.5862 7.4084 120.0996 63.3174 32.7176 175.2356 82 R 4.2409 8.7559 128.5003 56.4052 30.6730 174.7456 83 A 5.2230 8.2277 129.3562 51.4905 21.9940 175.4365 84 G 4.0615 8.1189 104.9619 44.9441 0.0000 173.9955 85 E 3.6845 9.2294 129.9068 57.0673 27.1729 175.6980 86 T 4.8656 7.9853 121.9504 64.8885 70.4837 174.3825 87 K 4.1266 7.8189 120.4493 56.8632 33.1640 177.5564 88 I 4.3522 8.1383 127.1628 61.2224 38.4864 174.7689 89 Y 4.2627 8.3222 117.8092 59.0942 38.7728 176.5769 90 G 4.0171 7.8045 107.6817 43.1799 0.0000 171.0818 91 S 4.0920 8.2656 120.0217 56.5921 63.8945 175.0912 92 V 4.1567 8.3414 123.4932 61.0528 32.0707 175.6688 93 T 4.2504 9.4896 117.2961 60.5130 70.5965 175.7321 94 A 3.9503 8.7883 123.8045 55.7241 18.1206 179.9924 95 K 3.7856 8.1753 116.0020 59.6321 32.0012 178.7977 96 D 4.3035 7.3938 116.8054 56.7439 41.0159 178.3731 97 I 3.9532 8.0641 117.8618 62.4363 37.0498 176.4579 98 A 4.4813 7.9515 120.8310 53.7873 20.4437 177.6820 99 E 4.2083 8.8302 118.3828 59.5713 29.5301 178.5537 100 A 4.0837 8.4080 119.8106 53.5844 18.6868 177.7558 101 L 4.2755 7.2978 117.7107 56.8296 43.5684 177.9945 102 S 4.8987 8.8211 115.3216 60.6754 62.0266 175.2812 103 R 4.4171 7.9164 118.6168 56.1018 29.8875 176.7609 104 Q 4.5179 7.9488 119.8474 56.5933 31.3920 175.5268 105 H 4.6871 8.8220 112.4712 58.0281 31.0820 174.1947 106 G 4.3731 8.2727 104.1719 44.3034 0.0000 173.4000 107 V 4.0862 7.7780 120.2623 61.7492 32.6770 174.8596 108 T 4.6993 8.3098 123.5528 62.5188 69.4776 174.3849 109 I 4.5899 7.9405 118.4407 58.9694 40.4225 174.4408 110 D 4.5844 10.6100 125.4700 53.4378 40.6085 176.3858 111 P 4.7005 0.0000 0.0000 62.5259 30.2587 176.7121 112 K 4.7241 9.3968 119.0427 58.8735 39.3225 178.9129 113 R 4.0892 8.1422 117.4040 58.7775 30.2299 178.4561 114 L 4.0559 7.3739 114.1324 56.2334 42.3064 176.4141 115 A 3.5392 7.7493 118.9467 52.8775 15.4358 176.9949 116 L 4.7534 7.5542 122.3323 52.7279 45.0057 175.6003 117 E 4.4544 8.4655 121.9277 57.0786 31.1716 176.1122 118 K 4.4529 7.2963 116.4630 54.7778 35.8595 175.0188 119 P 4.7972 0.0000 0.0000 62.1188 32.0613 180.3407 120 I 2.9688 9.4247 121.8674 62.0935 36.8586 174.7817 121 K 3.6177 9.4049 122.0567 55.5012 29.6297 175.5692 122 E 5.9800 7.5987 123.0018 55.6203 32.2524 175.7065 123 L 4.3178 8.5654 126.9117 54.5564 42.8375 178.3752 124 G 3.5630 6.4363 102.7665 46.0474 0.0000 171.0730 125 E 4.8041 7.5121 117.7538 54.8132 30.1107 173.8576 126 Y 4.9094 8.5330 121.6444 56.6882 40.1518 174.5828 127 V 4.7161 8.5131 122.5825 60.9440 34.1524 174.1495 128 L 4.9859 9.0736 129.3827 54.6672 45.7496 176.3045 129 T 4.6874 8.2485 120.4058 63.9513 72.5999 173.4450 130 Y 5.0195 8.3007 128.5452 57.2231 40.5527 173.8274 131 K 4.6393 7.5265 119.2406 54.3317 36.0262 174.6194 132 P 4.5968 0.0000 0.0000 64.9135 32.8973 175.7938 133 H 4.2965 7.9758 112.6904 54.1404 32.9061 174.0003 134 P 4.0762 0.0000 0.0000 63.0259 31.4001 175.1150 135 E 4.6568 8.5747 122.1548 55.3128 31.5219 176.6169 136 V 4.3576 8.2002 121.4250 58.8370 33.3349 171.8490 137 P 5.2949 0.0000 0.0000 63.4092 31.6983 175.1811 138 I 5.1091 8.1758 126.5780 60.1606 39.0887 174.8243 139 Q 5.0653 8.2603 126.1312 54.3138 32.5043 173.7930 140 L 4.9539 10.0996 124.8174 53.2524 45.5058 175.9457 141 K 5.2169 8.4391 125.9094 53.8141 31.0750 173.8372 142 V 4.2996 8.2441 113.6733 61.7772 32.9147 175.8220 143 S 4.8021 9.1931 121.4069 56.8702 65.4529 172.7366 144 V 4.6188 7.8561 120.3042 61.5739 33.3420 175.2907 145 V 3.2027 8.1422 122.1673 62.8922 31.2328 173.5868 *146 V 3.9330 8.1126 116.6497 60.9866 32.1670 172.1995 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 1 M 8.16 4.52 0.00 1.97 2.32 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 2 K 8.46 4.67 0.00 1.75 1.72 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 3 V 9.77 4.96 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 0.67 0.00 0.00 0.97 0.00 0.00 4 I 8.57 4.85 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 1.22 0.68 0.87 0.00 0.00 5 L 8.39 4.36 0.00 1.54 1.56 0.95 0.61 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 6 L 8.49 4.59 0.00 1.47 1.57 0.89 0.94 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 7 E 7.95 4.23 0.00 1.91 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 2.34 0.00 8 P 0.00 5.13 0.00 2.18 2.06 0.00 3.31 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 9 L 7.96 4.81 0.00 2.08 1.65 0.95 0.75 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 10 E 8.49 4.21 0.00 1.99 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 2.37 2.25 0.00 11 N 10.27 4.55 0.00 2.91 3.01 0.00 0.00 7.00 7.78 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 12 L 7.28 4.45 0.00 1.85 1.76 0.96 0.72 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 13 G 8.11 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 14 D 8.18 4.45 0.00 2.85 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 15 V 8.56 3.70 2.19 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 0.84 0.00 0.00 0.92 0.00 0.00 16 G 8.42 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 17 Q 7.87 4.31 0.00 2.41 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 18 V 8.43 4.41 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 0.85 0.00 0.00 0.92 0.00 0.00 19 V 9.12 4.68 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 0.86 0.00 0.00 0.95 0.00 0.00 20 D 8.71 5.21 0.00 2.71 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 21 V 8.89 4.62 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 0.67 0.00 0.00 0.91 0.00 0.00 22 K 8.70 4.14 0.00 1.93 1.80 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 23 P 0.00 4.36 0.00 2.22 2.15 0.00 3.70 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 2.15 2.22 0.00 24 G 8.19 3.73 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 0.00 0.00 0.00 25 Y 8.23 4.75 0.00 2.96 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 26 A 8.25 3.83 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 27 R 8.26 3.90 0.00 2.07 2.06 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 28 N 8.93 4.94 0.00 2.75 2.93 0.00 0.00 6.80 7.34 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 29 Y 8.42 4.70 0.00 3.19 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 30 L 8.11 3.67 0.00 1.55 1.53 0.41 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.27 4.02 0.00 1.76 1.68 0.94 1.23 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 32 P 0.00 4.24 0.00 2.06 2.10 0.00 3.82 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 2.12 2.16 0.00 33 R 8.28 4.15 0.00 1.42 1.71 0.00 2.29 0.00 0.00 2.99 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 34 G 7.48 3.90 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 0.00 0.00 0.00 35 L 8.13 4.53 0.00 1.41 1.60 0.74 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.18 4.65 1.14 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 0.00 0.00 0.00 37 V 8.29 4.49 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 1.02 0.00 0.00 0.90 0.00 0.00 38 L 8.47 4.31 0.00 1.54 1.60 0.91 0.78 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 39 A 8.62 4.50 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 40 T 7.58 4.45 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 41 E 8.79 4.00 0.00 2.03 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 0.00 2.41 2.42 0.00 42 S 8.30 4.07 0.00 3.87 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 43 N 8.10 4.31 0.00 2.77 2.83 0.00 0.00 6.77 6.40 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 44 L 8.78 3.92 0.00 1.67 1.81 0.92 0.40 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 45 K 8.64 3.95 0.00 1.97 2.04 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.84 1.45 7.81 46 A 7.95 3.97 1.44 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 47 L 8.31 3.86 0.00 1.72 1.87 0.91 0.80 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 48 E 8.07 3.84 0.00 2.04 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 2.32 2.51 0.00 49 A 8.22 3.93 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 50 R 7.87 4.02 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 51 I 7.74 4.01 2.05 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 1.76 0.94 0.91 0.00 0.00 52 R 8.87 3.86 0.00 2.02 2.18 0.00 2.81 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.65 0.00 53 A 7.68 3.87 1.42 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 0.00 0.00 54 Q 8.01 4.17 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 55 A 8.25 4.18 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 56 K 7.89 4.38 0.00 1.98 2.02 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.39 7.81 57 R 7.70 3.90 0.00 2.00 1.97 0.00 3.24 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 58 L 7.72 4.24 0.00 1.72 1.73 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.74 4.50 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 60 E 7.75 4.13 0.00 2.26 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 0.00 2.35 2.45 0.00 61 R 7.83 4.17 0.00 1.95 1.95 0.00 3.20 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 62 K 7.83 4.39 0.00 1.81 1.90 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 A 8.26 4.27 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 64 E 8.05 4.35 0.00 1.95 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 2.48 2.31 0.00 65 A 7.56 4.22 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 66 E 7.63 4.32 0.00 1.97 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 0.00 2.39 2.45 0.00 67 R 7.24 4.65 0.00 1.83 1.94 0.00 3.36 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 68 L 7.60 4.57 0.00 1.72 1.68 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.91 3.90 0.00 1.92 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.48 7.81 70 E 8.22 4.33 0.00 2.01 1.99 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 2.62 2.25 0.00 71 I 8.36 4.37 1.88 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 1.63 0.98 0.92 0.00 0.00 72 L 7.78 4.28 0.00 1.71 1.74 0.88 0.85 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 73 E 7.80 4.30 0.00 2.00 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 2.33 2.29 0.00 74 N 7.92 4.64 0.00 2.73 2.85 0.00 0.00 6.83 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 75 L 8.46 4.35 0.00 1.75 1.66 0.98 0.71 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 76 T 8.14 4.96 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 1.22 0.00 0.00 77 L 8.53 3.85 0.00 1.65 1.72 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.85 3.91 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 1.29 0.00 0.00 79 I 7.77 4.35 1.90 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 1.36 0.90 0.92 0.00 0.00 80 P 0.00 4.72 0.00 1.93 2.05 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 81 V 7.41 3.59 2.12 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 0.96 0.00 0.00 0.97 0.00 0.00 82 R 8.76 4.24 0.00 1.87 1.71 0.00 3.09 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 83 A 8.23 5.22 1.42 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 0.00 0.00 84 G 8.12 4.06 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 0.00 0.00 0.00 85 E 9.23 3.68 0.00 2.16 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 2.22 2.27 0.00 86 T 7.99 4.87 4.23 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 1.28 0.00 0.00 87 K 7.82 4.13 0.00 1.76 1.55 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.39 7.81 88 I 8.14 4.35 1.93 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 1.46 0.99 1.07 0.00 0.00 89 Y 8.32 4.26 0.00 2.77 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 90 G 7.80 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 0.00 0.00 0.00 91 S 8.27 4.09 0.00 4.06 3.90 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 92 V 8.34 4.16 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 0.83 0.00 0.00 0.94 0.00 0.00 93 T 9.49 4.25 4.23 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 1.20 0.00 0.00 94 A 8.79 3.95 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 95 K 8.18 3.79 0.00 1.80 1.89 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 96 D 7.39 4.30 0.00 2.80 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 0.00 97 I 8.06 3.95 1.95 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 1.44 0.63 0.86 0.00 0.00 98 A 7.95 4.48 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 99 E 8.83 4.21 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 2.30 2.33 0.00 100 A 8.41 4.08 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 0.00 101 L 7.30 4.28 0.00 1.66 1.71 0.78 0.78 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 0.00 102 S 8.82 4.90 0.00 3.81 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 0.00 103 R 7.92 4.42 0.00 1.92 1.91 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 104 Q 7.95 4.52 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 105 H 8.82 4.69 0.00 3.08 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.27 4.37 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 0.00 107 V 7.78 4.09 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 1.00 0.00 0.00 0.96 0.00 0.00 108 T 8.31 4.70 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 1.24 0.00 0.00 109 I 7.94 4.59 1.73 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 1.29 0.43 0.39 0.00 0.00 110 D 10.61 4.58 0.00 3.00 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 0.00 111 P 0.00 4.70 0.00 2.18 2.15 0.00 3.80 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 2.01 2.00 0.00 112 K 9.40 4.72 0.00 1.68 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.43 7.81 113 R 8.14 4.09 0.00 2.05 1.69 0.00 3.15 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 114 L 7.37 4.06 0.00 1.71 1.77 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.75 3.54 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 0.00 116 L 7.55 4.75 0.00 1.55 1.51 0.87 0.95 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 0.00 117 E 8.47 4.45 0.00 2.09 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 2.16 2.27 0.00 118 K 7.30 4.45 0.00 1.74 1.63 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 119 P 0.00 4.80 0.00 2.20 2.25 0.00 3.98 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 120 I 9.42 2.97 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.22 0.97 0.00 0.00 121 K 9.40 3.62 0.00 1.89 1.98 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.41 7.81 122 E 7.60 5.98 0.00 2.09 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 0.00 2.23 2.03 0.00 123 L 8.57 4.32 0.00 1.68 1.62 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.44 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.51 4.80 0.00 1.77 1.82 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 2.20 2.19 0.00 126 Y 8.53 4.91 0.00 3.00 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 0.00 127 V 8.51 4.72 2.12 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 0.84 0.00 0.00 1.00 0.00 0.00 128 L 9.07 4.99 0.00 1.59 1.38 0.91 0.44 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 0.00 129 T 8.25 4.69 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 1.26 0.00 0.00 130 Y 8.30 5.02 0.00 2.84 2.87 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 0.00 0.00 0.00 131 K 7.53 4.64 0.00 1.77 1.56 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.42 7.81 132 P 0.00 4.60 0.00 1.98 1.84 0.00 3.65 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 133 H 7.98 4.30 0.00 3.29 3.18 0.00 5.59 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.08 0.00 1.95 2.05 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 135 E 8.57 4.66 0.00 1.85 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 2.28 2.47 0.00 136 V 8.20 4.36 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 1.04 0.00 0.00 0.98 0.00 0.00 137 P 0.00 5.29 0.00 2.16 2.33 0.00 4.01 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 2.33 1.85 0.00 138 I 8.18 5.11 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.07 0.91 0.00 0.00 139 Q 8.26 5.07 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 140 L 10.10 4.95 0.00 1.79 1.54 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.44 5.22 0.00 1.73 1.70 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.28 7.81 142 V 8.24 4.30 2.12 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 0.85 0.00 0.00 1.13 0.00 0.00 143 S 9.19 4.80 0.00 3.83 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 0.00 144 V 7.86 4.62 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 1.26 0.00 0.00 0.95 0.00 0.00 145 V 8.14 3.20 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 *146 V 8.11 3.93 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.