NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4160 8.2931 118.7955 53.2370 32.9020 177.6186 2 G 3.8173 8.3690 109.9111 47.6004 0.0000 170.2594 *3 R 4.2835 8.0267 113.4939 54.9707 33.8544 167.2898 4 V 3.6142 7.7446 119.0279 60.6568 32.6603 169.7990 5 R 4.7075 7.9287 124.1464 55.5969 35.0410 175.7943 6 T 3.7312 7.8696 104.8739 63.8363 72.5496 171.1050 7 K 4.5054 8.4602 121.6140 57.7653 32.1607 179.4143 8 T 3.9378 7.6551 108.5774 64.5978 68.8290 176.7908 9 V 3.4783 7.5342 120.5718 65.7018 31.7954 178.0479 10 K 3.9518 7.9908 117.7547 59.3273 31.9843 179.1645 11 R 3.8669 7.8270 118.5350 59.4471 29.9746 178.4801 12 A 4.0205 7.9972 120.8338 55.1082 18.3685 179.7509 13 S 4.0335 8.0468 112.8643 61.6027 63.0661 176.9707 14 K 3.9687 8.0939 121.7563 58.9549 31.5380 179.1858 15 A 4.0311 7.9047 120.3326 55.2441 18.7334 179.4480 16 L 4.1524 8.2566 117.6094 57.7310 41.4591 179.6790 17 I 3.7779 7.8499 120.0581 63.4881 37.2230 176.5411 18 E 3.7692 7.4625 118.0426 57.5491 29.5990 175.8390 19 R 3.9976 8.0971 125.5092 57.3411 28.6555 177.5650 20 Y 4.1317 7.8371 114.2347 60.9017 38.3721 176.5079 21 Y 4.4504 7.5878 111.2195 58.2297 37.7676 167.3958 22 P 4.6909 0.0000 0.0000 62.1470 32.8480 175.3226 23 K 4.6341 8.1085 116.5571 54.6639 35.0136 176.6161 24 L 4.2195 8.6172 124.5009 57.3409 42.5746 176.9284 25 T 4.2524 7.1498 109.7640 60.6698 70.2990 172.2112 26 L 4.1155 8.4227 120.8528 54.8848 42.7142 175.8249 27 D 4.4507 8.3698 117.3875 53.5222 43.8487 178.1157 28 F 3.8432 8.8066 126.2036 61.5402 39.7518 177.5119 29 Q 4.2376 8.1897 116.1195 58.8744 28.3722 178.1286 30 T 3.8664 7.9662 111.8226 64.9095 68.7158 175.7317 31 N 4.2846 8.2670 119.9437 56.2665 38.9878 177.0255 32 K 4.0568 8.2264 119.9712 59.4348 32.1830 179.4242 33 R 3.9475 7.9824 118.2379 59.1585 30.0812 178.7901 34 L 3.9286 7.6796 119.9949 58.3194 41.8763 178.6241 35 C 4.1359 7.8575 117.5769 62.2977 31.4860 175.0292 36 D 4.7196 7.8677 121.2085 56.8740 40.5631 178.1322 37 E 4.0624 7.8691 117.9612 59.8027 30.1515 175.7695 38 I 4.4598 7.4045 110.8391 59.7833 40.0947 173.9689 39 A 3.9750 8.8830 123.3933 51.8682 17.4231 180.2382 40 T 3.4473 7.9272 108.0940 62.4731 67.5460 170.9750 41 I 4.2746 7.5549 119.5095 58.8697 38.8212 173.8393 42 Q 4.5038 8.3117 126.1250 54.0730 30.2273 175.5152 43 S 4.4768 8.3433 117.4961 56.8771 63.4762 174.2032 44 K 3.8981 8.4961 125.1268 59.9112 32.4900 178.9410 45 R 4.1558 7.9117 117.1872 59.0240 30.3442 178.9155 46 L 4.1117 7.9329 118.5216 57.3428 41.1007 179.2091 47 R 3.9671 8.2191 116.6368 59.6134 29.1271 178.6332 48 N 4.4563 8.2019 116.6335 56.1239 38.5527 177.5013 49 K 4.0985 8.1045 119.6945 59.3259 32.2980 179.2573 50 I 3.7334 7.8182 112.9770 63.8960 37.4638 178.1941 51 A 4.0737 7.8349 121.9818 54.9115 18.3391 179.9153 52 G 3.6219 8.0706 104.1249 47.6572 0.0000 175.3820 53 Y 4.0045 8.1644 122.1518 60.7279 38.8406 178.2294 54 T 4.0041 7.9959 110.6516 65.0226 68.7691 176.6208 55 T 3.8818 7.9668 112.6985 64.7534 68.3805 176.2181 56 H 4.1886 7.7428 117.7040 58.7742 29.1241 177.4104 57 L 4.1709 7.7081 120.3934 58.1047 41.5248 179.5678 58 M 4.1934 8.7619 119.0035 58.3124 31.6527 178.9210 59 K 4.0907 7.8142 117.7245 59.3955 32.1995 179.3522 60 R 4.0281 7.3724 116.3068 59.2988 30.1470 178.0952 61 I 3.9523 7.5102 117.8388 63.5312 37.7789 176.3239 62 Q 3.9686 7.2846 115.3892 56.5581 28.8664 176.3984 63 K 3.6343 8.3972 113.7029 55.7634 29.0569 176.2721 64 G 3.9251 7.0895 99.6447 44.4999 0.0000 170.3305 65 P 4.5424 0.0000 0.0000 61.8074 32.4341 177.2707 66 V 3.7625 8.2733 120.2228 64.4175 31.9821 176.8434 67 R 4.1026 7.8990 117.6905 56.2653 30.1103 175.7350 68 G 4.5992 8.0950 110.9207 45.8478 0.0000 174.4625 69 I 3.9318 8.1386 114.1046 63.4448 37.7368 179.4474 70 S 4.5718 6.9159 115.7078 54.1370 63.9250 174.4763 71 F 4.4473 9.0971 121.3040 58.5764 42.2656 168.2827 72 K 3.7971 6.7887 125.1986 55.2893 33.9082 172.3702 73 L 4.3902 7.7692 129.4967 55.2995 49.8050 177.0133 74 Q 4.3383 9.5854 118.6082 55.9371 27.1313 178.0844 75 E 4.7378 9.2092 120.0468 55.1746 32.8393 175.9956 76 E 4.7359 8.1249 121.3100 56.1596 31.3556 171.9675 77 E 4.5981 8.1458 127.9162 57.3588 29.5775 180.3037 78 R 3.5343 8.0834 114.5824 56.0436 27.6226 175.4374 79 E 4.0843 8.6781 121.7407 58.7484 30.3819 177.7098 80 R 3.9324 7.8395 119.2012 55.6944 30.6742 176.2312 81 K 4.3097 8.5964 124.5699 55.2369 31.8755 174.1986 82 D 4.5736 8.6461 125.9566 54.6293 38.8530 178.3728 83 Q 4.0169 7.6247 117.5737 58.0721 28.7487 176.5138 84 Y 4.3792 6.9347 114.2588 58.4764 37.7974 176.1194 85 V 3.9350 7.2596 117.3099 62.0993 31.6530 173.9735 86 P 4.2363 0.0000 0.0000 63.8159 31.5928 176.6821 87 E 4.3061 8.0900 124.2597 60.0538 29.7298 179.2876 88 V 3.0017 6.9620 112.3871 63.1239 29.6547 172.8827 89 S 4.6498 7.5673 124.8272 57.6212 67.4379 175.0069 90 A 4.2776 8.7467 122.8776 52.3195 18.5522 177.1081 91 L 4.6095 8.3450 121.8601 52.8552 44.4446 175.3121 92 D 4.8858 8.7031 124.7924 53.3566 40.5853 176.0713 93 L 4.2194 8.4325 126.5122 55.0994 43.6810 176.7949 94 S 4.5204 8.6792 112.3230 57.1080 62.9231 169.3492 95 R 3.9094 8.4420 119.0313 59.5792 29.8025 178.3105 96 S 4.1779 8.1946 111.2127 59.6552 62.8678 173.5343 97 N 4.4269 7.7368 115.2160 53.6668 44.1653 172.0696 98 G 4.0454 8.2084 107.5866 45.6085 0.0000 172.3856 99 V 4.0023 8.2186 119.1326 62.9298 32.6987 176.9592 100 L 4.5579 7.7999 121.8153 54.2777 45.0058 173.2036 101 N 4.6833 8.3166 119.3727 53.3424 40.7023 174.7278 102 V 3.7297 8.5307 115.9688 63.0271 32.2202 177.5406 103 D 4.4017 8.6459 122.3299 57.6043 40.9605 178.2766 104 N 4.5073 8.2196 115.1707 56.5307 39.0952 177.0226 105 Q 4.1312 8.1381 116.8910 59.0324 28.6396 178.3677 106 T 3.8323 7.6146 114.3284 65.2814 67.3865 176.0416 107 S 4.0860 7.9653 114.3842 61.3866 62.5497 175.2987 108 D 4.3320 8.0513 120.2317 57.5454 40.5565 178.1612 109 L 4.0655 8.0955 119.3252 57.4132 41.2141 179.5684 110 V 3.5994 7.5760 118.0817 65.9554 31.2343 178.0618 111 K 3.9583 7.9418 118.0245 59.9152 32.1095 177.9146 112 S 4.2211 7.8538 112.0353 59.9514 63.1984 174.6766 113 L 4.6638 7.6121 126.3048 52.1393 41.7787 176.6014 114 G 3.6586 8.5060 111.3932 47.1357 0.0000 170.9988 115 L 4.4811 7.6812 123.0219 52.9907 41.4042 175.3257 116 K 4.4921 8.1902 129.0077 55.9645 32.9179 175.6803 117 L 3.3666 8.2280 114.3338 53.8891 40.6605 172.7112 118 P 4.3330 0.0000 0.0000 63.3814 32.1014 175.5457 119 L 4.7212 8.1766 124.7407 53.2967 44.0303 175.8107 120 S 5.1584 8.6573 121.2571 57.3523 64.7405 174.1346 121 V 4.4605 7.2945 121.2322 61.7382 33.8431 170.5185 122 I 4.3842 8.2306 123.4479 59.5168 39.0682 174.8357 123 N 4.7333 8.2725 123.6577 52.3132 38.7613 175.0618 124 V 3.5890 8.5007 126.7135 64.6696 31.8331 176.6129 125 S 3.8008 8.8160 110.2965 58.4932 60.4083 169.1670 126 A 4.4449 7.7312 119.9275 51.0729 21.8138 172.2004 127 Q 3.5485 8.7501 124.2283 57.1032 31.3388 173.8326 128 R 3.4898 8.8954 119.6840 57.0681 29.8784 178.3940 129 D 4.7440 8.6922 126.0413 54.5673 44.9224 174.5327 130 R 4.6731 8.2362 113.0240 55.4220 30.1649 175.3945 131 R 4.3216 7.9048 114.0288 56.4852 30.5718 172.9925 132 Y 4.7639 8.4976 121.0356 55.9226 41.9728 177.8573 133 R 3.4567 7.3908 115.6809 55.9321 31.2766 176.7643 134 K 4.4574 8.3205 131.5020 55.7159 35.4627 174.2505 135 R 4.2273 8.4861 121.4107 55.1499 30.6775 175.1449 136 V 3.8806 8.3216 123.4146 61.8999 31.7357 175.7644 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 8.29 4.42 0.00 2.05 1.16 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 G 8.37 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 R 8.03 4.28 0.00 1.78 1.65 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.12 0.00 4 V 7.74 3.61 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 0.06 0.00 0.00 0.80 0.00 0.00 5 R 7.93 4.71 0.00 1.74 1.87 0.00 3.37 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 6 T 7.87 3.73 4.16 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 1.00 0.00 0.00 7 K 8.46 4.51 0.00 1.99 2.03 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.62 7.81 8 T 7.66 3.94 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 9 V 7.53 3.48 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 0.95 0.00 0.00 0.83 0.00 0.00 10 K 7.99 3.95 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.47 7.81 11 R 7.83 3.87 0.00 2.01 2.15 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 12 A 8.00 4.02 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 13 S 8.05 4.03 0.00 4.07 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.09 3.97 0.00 2.00 1.88 0.00 1.54 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 A 7.90 4.03 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 16 L 8.26 4.15 0.00 1.82 1.60 0.89 0.73 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 17 I 7.85 3.78 2.02 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 1.58 1.47 1.00 0.00 0.00 18 E 7.46 3.77 0.00 2.10 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 0.00 2.28 2.47 0.00 19 R 8.10 4.00 0.00 1.66 1.67 0.00 3.04 0.00 0.00 3.04 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 20 Y 7.84 4.13 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.59 4.45 0.00 3.38 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.20 2.14 0.00 4.01 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 2.04 2.06 0.00 23 K 8.11 4.63 0.00 1.68 1.70 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.49 7.81 24 L 8.62 4.22 0.00 1.62 1.69 0.90 0.81 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 25 T 7.15 4.25 4.18 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 1.18 0.00 0.00 26 L 8.42 4.12 0.00 1.60 1.66 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.37 4.45 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.81 3.84 0.00 3.21 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 29 Q 8.19 4.24 0.00 2.40 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 30 T 7.97 3.87 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 1.23 0.00 0.00 31 N 8.27 4.28 0.00 2.90 2.89 0.00 0.00 7.25 5.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.23 4.06 0.00 2.06 1.90 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.74 7.81 33 R 7.98 3.95 0.00 2.02 1.98 0.00 3.16 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 34 L 7.68 3.93 0.00 1.64 1.85 0.89 0.75 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 35 C 7.86 4.14 0.00 3.01 3.10 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 0.00 36 D 7.87 4.72 0.00 2.86 2.71 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 37 E 7.87 4.06 0.00 2.12 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 2.27 2.28 0.00 38 I 7.40 4.46 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 0.67 0.00 0.00 39 A 8.88 3.98 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 40 T 7.93 3.45 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 41 I 7.55 4.27 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.92 0.00 0.00 42 Q 8.31 4.50 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 43 S 8.34 4.48 0.00 3.87 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 44 K 8.50 3.90 0.00 1.75 1.82 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 45 R 7.91 4.16 0.00 1.91 1.96 0.00 3.19 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 46 L 7.93 4.11 0.00 1.69 1.73 0.94 0.90 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 47 R 8.22 3.97 0.00 2.04 2.32 0.00 2.79 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 48 N 8.20 4.46 0.00 3.04 3.04 0.00 0.00 6.99 6.49 0.00 0.00 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 K 8.10 4.10 0.00 1.97 1.96 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.49 7.81 50 I 7.82 3.73 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.98 0.00 0.00 51 A 7.83 4.07 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 52 G 8.07 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 53 Y 8.16 4.00 0.00 3.33 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 54 T 8.00 4.00 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 1.29 0.00 0.00 55 T 7.97 3.88 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 56 H 7.74 4.19 0.00 3.09 3.24 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.71 4.17 0.00 1.93 1.90 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.76 4.19 0.00 2.17 2.27 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 2.82 0.00 59 K 7.81 4.09 0.00 1.81 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 60 R 7.37 4.03 0.00 1.84 1.99 0.00 3.17 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 61 I 7.51 3.95 1.86 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 1.47 0.49 0.90 0.00 0.00 62 Q 7.28 3.97 0.00 2.20 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 63 K 8.40 3.63 0.00 1.86 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.40 7.81 64 G 7.09 3.93 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 0.00 0.00 0.00 65 P 0.00 4.54 0.00 1.99 1.98 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 66 V 8.27 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 0.73 0.00 0.00 0.92 0.00 0.00 67 R 7.90 4.10 0.00 1.90 2.02 0.00 3.49 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 68 G 8.10 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.14 3.93 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.95 0.00 0.00 70 S 6.92 4.57 0.00 3.90 3.92 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 0.00 0.00 0.00 0.00 71 F 9.10 4.45 0.00 2.96 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 72 K 6.79 3.80 0.00 2.11 1.85 0.00 1.87 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.60 1.73 7.81 73 L 7.77 4.39 0.00 1.68 0.69 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.59 4.34 0.00 2.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 75 E 9.21 4.74 0.00 2.00 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 2.16 2.33 0.00 76 E 8.12 4.74 0.00 1.16 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 1.95 2.07 0.00 77 E 8.15 4.60 0.00 1.88 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 2.21 2.38 0.00 78 R 8.08 3.53 0.00 2.05 2.24 0.00 3.14 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 79 E 8.68 4.08 0.00 2.09 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 0.00 2.25 2.24 0.00 80 R 7.84 3.93 0.00 1.78 1.86 0.00 3.16 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 81 K 8.60 4.31 0.00 1.75 1.62 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 82 D 8.65 4.57 0.00 3.06 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 83 Q 7.62 4.02 0.00 1.36 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 84 Y 6.93 4.38 0.00 3.04 3.02 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 85 V 7.26 3.93 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 0.47 0.00 0.00 0.93 0.00 0.00 86 P 0.00 4.24 0.00 2.17 2.16 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 87 E 8.09 4.31 0.00 1.83 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 2.14 2.32 0.00 88 V 6.96 3.00 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 0.82 0.00 0.00 0.91 0.00 0.00 89 S 7.57 4.65 0.00 3.74 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 90 A 8.75 4.28 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 91 L 8.34 4.61 0.00 1.53 1.56 0.88 0.81 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 92 D 8.70 4.89 0.00 2.68 2.59 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 93 L 8.43 4.22 0.00 1.82 1.79 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.68 4.52 0.00 3.89 4.36 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 95 R 8.44 3.91 0.00 1.82 2.03 0.00 3.32 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 96 S 8.19 4.18 0.00 3.80 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 97 N 7.74 4.43 0.00 2.78 2.62 0.00 0.00 6.77 7.80 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 98 G 8.21 4.05 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 0.00 99 V 8.22 4.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.94 0.00 0.00 100 L 7.80 4.56 0.00 1.72 1.54 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.32 4.68 0.00 2.65 2.62 0.00 0.00 6.72 7.71 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 0.00 102 V 8.53 3.73 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 0.95 0.00 0.00 0.95 0.00 0.00 103 D 8.65 4.40 0.00 2.71 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 0.00 104 N 8.22 4.51 0.00 2.70 2.88 0.00 0.00 6.92 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 0.00 105 Q 8.14 4.13 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 106 T 7.61 3.83 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 1.26 0.00 0.00 107 S 7.97 4.09 0.00 3.93 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 0.00 108 D 8.05 4.33 0.00 2.78 2.80 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 0.00 109 L 8.10 4.07 0.00 1.76 1.71 0.94 0.62 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 0.00 110 V 7.58 3.60 2.25 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 0.99 0.00 0.00 1.00 0.00 0.00 111 K 7.94 3.96 0.00 1.80 1.82 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 112 S 7.85 4.22 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.61 4.66 0.00 1.64 1.57 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.51 3.66 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 0.00 115 L 7.68 4.48 0.00 1.59 1.60 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 116 K 8.19 4.49 0.00 1.93 1.73 0.00 1.99 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.42 7.81 117 L 8.23 3.37 0.00 1.76 1.59 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.33 0.00 2.08 2.07 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 119 L 8.18 4.72 0.00 1.84 1.59 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.66 5.16 0.00 3.93 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 0.00 121 V 7.29 4.46 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 0.99 0.00 0.00 0.95 0.00 0.00 122 I 8.23 4.38 1.89 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 1.32 0.65 0.97 0.00 0.00 123 N 8.27 4.73 0.00 2.66 2.90 0.00 0.00 7.13 8.73 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 0.00 124 V 8.50 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 0.94 0.00 0.00 125 S 8.82 3.80 0.00 4.15 3.93 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 0.00 126 A 7.73 4.44 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 8.75 3.55 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.01 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 128 R 8.90 3.49 0.00 1.91 1.26 0.00 3.37 0.00 0.00 3.22 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 129 D 8.69 4.74 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.24 4.67 0.00 1.86 1.93 0.00 3.07 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 131 R 7.90 4.32 0.00 1.90 1.94 0.00 2.98 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 132 Y 8.50 4.76 0.00 3.16 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 0.00 133 R 7.39 3.46 0.00 1.51 1.64 0.00 2.98 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.00 134 K 8.32 4.46 0.00 1.58 1.57 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.37 7.81 135 R 8.49 4.23 0.00 1.81 2.08 0.00 3.41 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 136 V 8.32 3.88 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 0.73 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.