NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2867 8.1733 121.7859 56.3730 34.2908 177.4833 5 R 3.7729 7.8881 117.1357 57.6058 30.1101 175.9049 6 N 4.9972 8.3174 113.6195 52.5869 40.2795 173.3680 7 K 4.5854 7.6381 119.8182 53.8423 33.6667 174.3661 8 P 5.1417 0.0000 0.0000 63.0094 31.9578 175.6132 9 G 4.0430 7.9221 108.0150 45.0243 0.0000 171.6730 10 K 5.0098 8.3369 120.0001 54.8027 33.6759 176.7391 11 A 4.6592 8.8582 126.5422 52.4190 19.7464 176.6158 12 T 4.8629 8.8884 110.8747 60.2420 73.1638 173.8787 13 G 4.0548 9.1063 106.8886 45.5378 0.0000 173.2286 14 K 4.1725 9.2382 116.9470 55.4069 33.4388 178.7530 15 G 4.1429 8.2818 107.3581 44.6202 0.0000 172.4884 16 K 4.6878 8.0732 116.0121 53.5655 36.1147 174.3371 17 P 4.5597 0.0000 0.0000 62.9189 31.7166 176.3927 18 V 4.5908 8.0671 114.6902 59.5058 35.8820 174.9778 19 G 4.4547 8.0113 109.2376 44.4961 0.0000 173.1762 20 D 4.4215 8.8465 118.0722 57.2359 41.2383 177.0721 21 K 4.3529 8.1049 118.3492 56.2161 32.3081 177.5029 22 W 4.5418 8.1715 128.0265 61.5235 30.3285 177.9361 23 L 3.4385 7.8410 117.2659 56.8098 41.0724 178.9813 24 D 4.4197 7.9521 119.5711 57.4082 40.8534 178.2631 25 D 4.4718 7.9981 118.9887 56.8114 40.7443 178.4180 26 A 4.3996 7.7895 121.3283 54.1556 18.0773 178.6677 27 G 3.9130 7.6201 104.4862 45.4313 0.0000 173.7606 28 K 4.6991 7.6020 118.8082 55.4197 36.8928 176.9111 29 D 4.0907 8.2334 121.1239 56.4159 39.5290 174.8903 30 S 4.4340 8.9418 124.1494 59.2269 62.6544 174.1406 31 G 3.8659 8.2333 107.7544 44.5059 0.0000 172.8464 32 A 4.6906 8.4746 120.3070 50.3298 20.2140 175.8047 33 P 4.8572 0.0000 0.0000 62.2663 33.1094 176.0005 34 I 4.0493 8.2972 121.4255 60.5083 38.2700 174.3260 35 P 4.5362 0.0000 0.0000 62.3143 32.0692 176.7448 36 D 4.7810 8.7224 124.8660 56.3464 38.9819 179.6941 37 R 3.8564 7.7537 118.6409 58.8334 30.0748 179.0181 38 I 3.6981 7.4784 118.9364 64.2395 37.1341 178.0144 39 A 4.0389 8.0156 121.6167 55.4119 17.9365 179.3172 40 D 4.2950 8.0122 116.3895 57.5532 40.9302 178.9125 41 K 4.1565 7.4699 116.6444 58.6832 32.5474 178.6350 42 L 4.5134 7.9471 118.2745 54.8112 42.2355 177.1314 43 R 4.2949 7.5279 118.0191 58.1358 30.3726 176.8496 44 D 4.7433 9.0863 121.0785 54.2592 40.0977 174.7247 45 K 4.1043 7.7407 119.6276 55.9746 33.3047 175.7386 46 E 4.6075 8.2657 125.1888 55.4179 30.8134 175.2843 47 F 4.8385 8.6993 125.0360 55.5503 41.9618 176.7734 48 K 4.0709 9.1107 122.6705 59.1780 32.5111 177.4781 49 S 5.0991 7.7809 113.1509 56.4211 66.9518 174.7919 50 F 4.2451 9.4289 124.6779 61.4820 39.0252 176.9035 51 D 4.3984 8.3551 118.2376 57.5426 40.7283 178.3553 52 D 4.4677 8.1447 118.9245 57.2588 40.7849 178.5632 53 F 2.9601 7.9694 120.7016 60.8027 39.3926 176.9829 54 R 3.3951 7.7396 118.5235 59.2372 29.8445 178.1722 55 K 4.1485 8.0317 118.9988 59.6950 32.0956 178.5180 56 A 3.9455 7.7226 120.7238 54.8745 18.2300 179.5331 57 V 3.0278 7.0935 116.8302 66.0474 31.4409 178.4582 58 W 4.4836 7.5349 117.8578 59.6829 28.6314 178.4048 59 E 4.0279 8.1867 117.9088 59.6335 29.1251 179.0170 60 E 4.0778 8.3636 118.6488 59.1605 29.4581 179.4618 61 V 3.6067 7.9955 118.7413 66.1106 31.4128 178.1434 62 S 4.2176 8.1377 112.6995 61.2068 62.7487 175.8832 63 K 4.3746 7.6077 119.1990 55.6356 32.4799 175.9433 64 D 4.6568 7.5064 121.0218 52.2174 41.5549 175.2839 65 P 4.2948 0.0000 0.0000 65.4486 31.4146 177.6313 66 E 4.2581 8.4498 117.9566 58.3925 29.6102 178.1990 67 L 4.2374 7.9503 118.8744 57.6046 42.0183 179.2484 68 S 4.3987 8.4089 114.1891 60.7151 62.8163 176.4641 69 K 4.1382 8.1021 121.5556 59.3282 32.2878 176.9555 70 N 4.8880 7.5332 115.0288 52.8293 38.5960 174.3975 71 L 4.8278 7.6266 118.3487 52.6011 44.3097 176.8815 72 N 4.7178 8.4145 120.0023 51.6946 39.7538 174.3190 73 P 4.2341 0.0000 0.0000 66.1533 31.3182 179.1658 74 S 4.1903 8.0025 113.2493 61.6282 62.8631 176.3249 75 N 4.5225 8.1534 118.7852 56.0009 38.3420 177.4623 76 K 4.0185 8.4318 120.4541 59.6010 31.9285 179.3749 77 S 4.1092 7.8808 114.2834 61.5573 63.0236 176.4905 78 S 4.2447 7.9368 115.1690 61.7134 62.1891 176.8245 79 V 4.1501 8.1612 116.3565 63.6051 31.0140 178.6763 80 S 4.1227 7.8727 113.4214 60.7113 62.8675 175.7149 81 K 4.0976 7.5184 119.9751 55.8220 31.9692 177.5314 82 G 3.9963 7.9215 107.8375 45.9127 0.0000 173.5358 83 Y 4.6279 7.2809 116.9875 56.7893 38.9943 174.8319 84 S 2.7900 8.0741 117.1224 56.8986 63.3774 172.2668 85 P 4.5346 0.0000 0.0000 62.3614 32.7733 175.3789 86 F 4.4855 9.0199 120.6119 57.7565 39.4621 175.6839 87 T 4.0978 8.1275 113.5977 59.5659 70.5129 172.7925 88 P 4.3099 0.0000 0.0000 62.5433 32.2768 177.3620 89 K 3.7753 8.9441 122.9684 59.8081 31.9460 178.0574 90 N 4.5997 8.0742 112.1618 54.0922 37.7486 175.1238 91 Q 4.3613 8.0286 118.0703 56.1212 29.5972 175.5527 92 Q 4.5200 7.6223 117.6288 55.2754 29.7653 176.0749 93 V 4.1984 8.2730 120.2226 61.6924 34.1987 175.7602 94 G 3.6784 8.3983 119.4561 47.1431 0.0000 173.7796 95 G 3.7161 8.8199 113.3765 45.7457 0.0000 173.2373 96 R 4.3086 7.9616 120.7951 54.8739 29.5574 176.6960 97 K 4.5590 8.2868 120.8160 55.6521 33.9585 176.1726 98 V 4.5369 7.0220 110.9625 58.8175 35.1564 175.0180 99 Y 4.3384 7.8921 119.8647 58.5728 38.5273 175.8997 100 E 4.9141 9.4952 122.2303 54.5478 33.1152 175.2445 101 L 4.9417 8.8244 123.8548 54.7107 43.0138 175.7061 102 H 4.9921 9.3053 122.5628 54.7003 33.4687 171.6007 103 H 4.9495 8.5370 121.9951 54.7481 29.2721 174.5231 104 D 4.3211 9.0596 124.8167 57.0762 41.8211 176.4013 105 K 4.2424 8.8600 121.9702 54.3340 32.7914 174.2425 106 P 4.5085 0.0000 0.0000 62.5175 32.1902 177.4370 107 I 3.7528 8.3765 122.9843 64.4653 37.2097 178.5136 108 S 4.0628 8.0682 113.5145 60.8761 62.6280 174.9100 109 Q 4.3454 8.0316 117.3677 55.4956 28.6520 176.0989 110 G 3.8975 8.3112 106.3832 44.9061 0.0000 174.5006 111 G 4.0657 7.5052 107.5907 44.8177 0.0000 173.6092 112 E 4.0957 8.4334 122.0300 55.7541 30.3000 177.4969 113 V 3.2411 8.3819 123.6018 65.4553 31.5028 176.2331 114 Y 4.3161 7.7210 114.0927 57.3735 38.7695 174.2574 115 D 5.0018 7.7778 120.7898 52.8613 41.5544 176.9147 116 M 4.1765 9.2602 128.0979 58.1656 32.1684 178.5243 117 D 4.4569 8.3599 117.7612 56.3318 41.1962 176.4305 118 N 4.7529 8.4548 117.3554 53.1758 39.0900 173.5649 119 I 5.0796 7.3599 116.7758 60.0489 40.0372 175.2027 120 R 4.9651 9.0407 123.4531 54.5681 34.9158 174.1416 121 V 4.7893 8.9151 122.5604 61.8934 33.2742 174.9317 122 T 5.3858 9.0640 117.8159 59.9496 72.5643 173.4386 123 T 4.2958 8.4819 112.9690 60.7518 70.4305 173.8716 124 P 4.2098 0.0000 0.0000 65.7860 31.3443 178.6713 125 K 3.8547 8.0116 118.0303 59.7188 32.0490 178.7671 126 R 3.8956 7.8661 118.5120 59.5656 29.8979 177.8705 127 H 4.2229 8.6744 118.5679 59.3481 29.9623 177.3440 128 I 3.6882 7.9051 121.5716 64.4819 36.7101 178.2021 129 D 4.3611 7.8508 118.5565 57.3227 40.7169 178.4265 130 I 3.8329 7.8174 119.5896 64.9710 37.2544 178.0267 131 H 4.3166 7.8794 114.7085 57.3558 28.8225 176.5010 132 R 4.1324 7.2000 119.1388 55.3368 30.6075 176.8957 133 G 3.6332 8.5364 107.9022 46.3399 0.0000 172.4388 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 4 K 8.17 4.29 0.00 1.77 1.80 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.47 7.81 5 R 7.89 3.77 0.00 1.98 1.99 0.00 3.07 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 6 N 8.32 5.00 0.00 2.72 2.85 0.00 0.00 6.79 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 7 K 7.64 4.59 0.00 1.76 1.79 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.58 7.81 8 P 0.00 5.14 0.00 1.98 1.98 0.00 3.85 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 9 G 7.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.34 5.01 0.00 1.62 1.72 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.65 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.36 7.81 11 A 8.86 4.66 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 12 T 8.89 4.86 4.27 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 1.29 0.00 0.00 13 G 9.11 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 14 K 9.24 4.17 0.00 1.83 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.37 7.81 15 G 8.28 4.14 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 0.00 16 K 8.07 4.69 0.00 1.76 1.65 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.55 7.81 17 P 0.00 4.56 0.00 2.02 1.96 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 18 V 8.07 4.59 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 0.60 0.00 0.00 0.48 0.00 0.00 19 G 8.01 4.45 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 0.00 20 D 8.85 4.42 0.00 2.72 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 21 K 8.10 4.35 0.00 1.83 1.82 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.47 7.81 22 W 8.17 4.54 0.00 3.49 3.26 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 23 L 7.84 3.44 0.00 1.51 1.10 0.60 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.95 4.42 0.00 3.02 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.00 4.47 0.00 2.94 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 26 A 7.79 4.40 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 27 G 7.62 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 28 K 7.60 4.70 0.00 1.83 1.66 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.39 7.81 29 D 8.23 4.09 0.00 2.82 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 0.00 0.00 0.00 0.00 30 S 8.94 4.43 0.00 3.89 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 31 G 8.23 3.87 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 0.00 0.00 0.00 32 A 8.47 4.69 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.86 0.00 2.15 2.14 0.00 4.02 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 2.10 2.08 0.00 34 I 8.30 4.05 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 1.44 0.99 0.90 0.00 0.00 35 P 0.00 4.54 0.00 1.74 1.44 0.00 3.32 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.55 0.00 36 D 8.72 4.78 0.00 2.88 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 37 R 7.75 3.86 0.00 1.74 1.94 0.00 3.01 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 38 I 7.48 3.70 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.73 0.00 0.00 39 A 8.02 4.04 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 40 D 8.01 4.30 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.47 4.16 0.00 1.85 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.75 7.81 42 L 7.95 4.51 0.00 1.85 1.98 0.57 0.99 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 43 R 7.53 4.29 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 44 D 9.09 4.74 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 45 K 7.74 4.10 0.00 1.83 1.18 0.00 1.76 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.39 7.81 46 E 8.27 4.61 0.00 1.82 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 47 F 8.70 4.84 0.00 2.88 3.18 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 48 K 9.11 4.07 0.00 2.01 1.96 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.52 7.81 49 S 7.78 5.10 0.00 4.16 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 50 F 9.43 4.25 0.00 2.97 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 51 D 8.36 4.40 0.00 2.82 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 52 D 8.14 4.47 0.00 3.14 3.03 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 53 F 7.97 2.96 0.00 2.62 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 54 R 7.74 3.40 0.00 1.70 2.04 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 55 K 8.03 4.15 0.00 1.94 2.01 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.57 7.81 56 A 7.72 3.95 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 57 V 7.09 3.03 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 0.07 0.00 0.00 -0.09 0.00 0.00 58 W 7.53 4.48 0.00 3.50 3.30 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 59 E 8.19 4.03 0.00 2.08 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 2.37 2.53 0.00 60 E 8.36 4.08 0.00 2.01 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 2.46 2.39 0.00 61 V 8.00 3.61 2.58 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 1.39 0.00 0.00 1.08 0.00 0.00 62 S 8.14 4.22 0.00 4.11 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 0.00 63 K 7.61 4.37 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.59 7.81 64 D 7.51 4.66 0.00 2.83 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 65 P 0.00 4.29 0.00 2.25 2.17 0.00 3.78 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 1.97 2.04 0.00 66 E 8.45 4.26 0.00 2.02 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 2.28 2.45 0.00 67 L 7.95 4.24 0.00 1.66 1.71 0.51 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.41 4.40 0.00 4.09 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.10 4.14 0.00 1.95 2.15 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.65 1.56 7.81 70 N 7.53 4.89 0.00 2.88 2.94 0.00 0.00 6.82 7.73 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 71 L 7.63 4.83 0.00 1.82 1.60 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.41 4.72 0.00 2.96 2.99 0.00 0.00 6.17 7.76 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 73 P 0.00 4.23 0.00 2.18 2.16 0.00 3.60 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 2.12 2.20 0.00 74 S 8.00 4.19 0.00 3.85 3.89 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 0.00 0.00 0.00 75 N 8.15 4.52 0.00 2.79 2.92 0.00 0.00 7.15 7.27 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 76 K 8.43 4.02 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.70 7.81 77 S 7.88 4.11 0.00 4.06 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 78 S 7.94 4.24 0.00 4.06 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 79 V 8.16 4.15 2.45 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 1.02 0.00 0.00 1.11 0.00 0.00 80 S 7.87 4.12 0.00 4.02 4.14 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 81 K 7.52 4.10 0.00 0.79 0.88 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.08 7.81 82 G 7.92 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 83 Y 7.28 4.63 0.00 2.99 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 84 S 8.07 2.79 0.00 3.48 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.53 0.00 2.18 2.07 0.00 2.20 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 86 F 9.02 4.49 0.00 2.93 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 87 T 8.13 4.10 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 0.07 0.00 0.00 88 P 0.00 4.31 0.00 2.18 2.03 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 89 K 8.94 3.78 0.00 1.76 1.81 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 90 N 8.07 4.60 0.00 2.84 2.91 0.00 0.00 5.95 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.03 4.36 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 92 Q 7.62 4.52 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 93 V 8.27 4.20 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 0.96 0.00 0.00 0.91 0.00 0.00 94 G 8.40 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.82 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 96 R 7.96 4.31 0.00 2.02 1.99 0.00 3.04 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 97 K 8.29 4.56 0.00 1.81 1.97 0.00 1.74 0.00 0.00 1.96 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.43 7.81 98 V 7.02 4.54 1.73 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 -0.14 0.00 0.00 0.70 0.00 0.00 99 Y 7.89 4.34 0.00 2.70 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 9.50 4.91 0.00 1.89 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 2.25 2.44 0.00 101 L 8.82 4.94 0.00 1.92 1.90 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.31 4.99 0.00 2.93 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.54 4.95 0.00 2.90 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.06 4.32 0.00 2.63 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 0.00 105 K 8.86 4.24 0.00 1.75 1.75 0.00 1.68 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.38 7.81 106 P 0.00 4.51 0.00 2.19 1.94 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 107 I 8.38 3.75 1.70 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.18 0.76 0.00 0.00 108 S 8.07 4.06 0.00 3.95 3.99 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 0.00 109 Q 8.03 4.35 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.83 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 110 G 8.31 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 0.00 111 G 7.51 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.43 4.10 0.00 1.95 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 2.30 2.24 0.00 113 V 8.38 3.24 1.69 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 -0.12 0.00 0.00 0.68 0.00 0.00 114 Y 7.72 4.32 0.00 3.04 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 0.00 115 D 7.78 5.00 0.00 2.69 2.56 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 0.00 116 M 9.26 4.18 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.83 0.00 117 D 8.36 4.46 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.45 4.75 0.00 2.76 2.86 0.00 0.00 6.81 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.36 5.08 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 1.10 0.91 1.07 0.00 0.00 120 R 9.04 4.97 0.00 1.75 1.82 0.00 3.33 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 121 V 8.92 4.79 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 1.00 0.00 0.00 1.01 0.00 0.00 122 T 9.06 5.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 123 T 8.48 4.30 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 1.20 0.00 0.00 124 P 0.00 4.21 0.00 2.26 2.11 0.00 3.59 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 2.12 2.30 0.00 125 K 8.01 3.85 0.00 1.88 1.95 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.87 3.90 0.00 2.01 1.92 0.00 3.20 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 127 H 8.67 4.22 0.00 3.35 3.38 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.91 3.69 1.99 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 1.48 1.03 0.90 0.00 0.00 129 D 7.85 4.36 0.00 2.80 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 0.00 130 I 7.82 3.83 1.95 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 1.50 0.60 0.81 0.00 0.00 131 H 7.88 4.32 0.00 3.06 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.20 4.13 0.00 2.06 1.86 0.00 3.45 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 133 G 8.54 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00