NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0907 8.0549 120.3904 62.4231 32.5631 175.1781 2 L 3.9829 8.2606 127.4747 52.5115 42.2639 176.0236 3 S 4.5256 9.7417 119.2051 57.6916 66.2004 175.0707 4 E 4.2667 8.8525 121.7170 59.7781 29.3048 179.9163 5 G 3.6409 8.1244 105.1033 47.7698 0.0000 175.3850 6 E 3.9228 8.2083 120.8824 59.0644 29.3963 179.4222 7 W 4.4739 8.2486 119.0909 59.9789 29.1147 178.3436 8 Q 4.0917 8.6278 119.6741 59.1150 28.4008 178.3356 9 L 4.0773 7.9818 119.8862 57.6754 41.6779 179.5698 10 V 3.7502 7.9954 118.0987 66.2839 31.6149 178.0594 11 L 4.3563 8.5420 118.3576 57.2649 41.2878 178.9465 12 H 4.2370 8.3244 118.4738 59.2033 30.2889 177.3238 13 V 3.7421 7.8755 120.7976 64.5269 31.3691 178.1579 14 W 3.8655 8.5961 128.8515 60.0419 30.3003 177.7967 15 A 4.0198 8.0653 120.0635 54.9282 18.0716 179.4573 16 K 3.9077 7.6604 116.9492 59.3555 31.9632 179.7142 17 V 2.9631 6.9336 118.1311 65.5566 31.1488 177.2045 18 E 3.9640 7.3089 115.2305 57.4879 29.3402 178.1285 19 A 4.2098 7.4299 120.6677 53.3735 20.1513 177.6655 20 D 4.6484 7.9676 116.2414 52.1214 42.9833 175.5602 21 V 3.5124 7.8408 123.8598 65.9879 32.0383 176.8020 22 A 4.0512 7.9823 120.0534 55.0404 18.2935 179.6925 23 G 3.6956 8.4015 105.6541 45.4982 0.0000 175.7024 24 H 4.1682 8.2420 118.8489 58.5305 28.7053 178.2053 25 G 3.5367 8.2799 107.7931 47.6536 0.0000 175.7996 26 Q 3.8754 8.1952 120.4502 58.9550 28.7830 178.6588 27 D 4.2846 7.9786 119.7423 57.3467 40.7471 179.0746 28 I 3.6493 7.9132 120.4789 64.4016 37.0727 178.5600 29 L 3.4113 7.7428 119.7843 57.4802 41.2217 179.6862 30 I 3.5693 7.6606 119.9684 64.2120 36.9596 178.3849 31 R 3.7718 7.9251 119.5727 59.1832 29.8819 178.1547 32 L 3.9384 7.8493 120.1689 58.4645 41.5600 179.1431 33 F 4.5797 8.0571 117.7655 60.4349 38.5432 178.0261 34 K 4.0387 8.1589 117.7028 59.6350 32.0237 179.4279 35 S 4.2943 8.2090 114.5156 60.3347 63.9980 174.5290 36 H 4.6877 8.1088 118.3921 52.1491 29.5238 171.8983 37 P 4.4974 0.0000 0.0000 64.3559 31.6096 177.4424 38 E 4.0773 8.2583 116.5084 59.4755 29.2958 179.2025 39 T 4.1125 8.2685 111.4909 64.6225 68.8548 176.4224 40 L 3.5947 7.8942 123.3289 57.7305 41.8016 178.5156 41 E 4.0022 7.7249 117.1124 58.6465 29.6336 178.2740 42 K 4.4644 8.0337 116.8864 56.9526 32.7489 177.3907 43 F 4.6358 8.2538 119.5494 55.4445 39.4955 175.5191 44 D 4.3975 8.6070 124.4477 57.1261 41.0086 178.6407 45 R 3.8085 7.9088 118.1118 58.3097 30.2306 176.6676 46 F 5.0532 8.0626 114.0004 56.6787 40.8437 176.5310 47 K 4.1401 8.1337 119.0054 58.5154 32.5200 177.5278 48 H 4.3652 8.1033 114.7794 57.3567 28.8806 175.3269 49 L 4.1729 7.6706 121.8652 54.4284 41.6933 176.7043 50 K 4.5269 9.5682 122.6454 56.0607 34.3584 176.6048 51 T 4.7464 7.5034 108.4909 58.8224 73.1533 174.1600 52 E 3.8940 8.6671 121.7669 59.4356 29.6915 178.8320 53 A 3.9830 7.9730 120.3270 55.2719 18.2363 179.3220 54 E 3.9419 8.1583 116.1807 59.6812 29.9322 179.0943 55 M 4.1806 8.1698 118.7726 58.5164 31.8589 179.0802 56 K 4.0145 8.2360 117.2238 58.8586 32.2756 178.5302 57 A 4.4223 7.6590 119.0807 51.9013 19.1569 177.0844 58 S 4.3413 7.4905 113.4494 57.2723 62.6967 174.4294 59 E 4.0055 8.8659 129.3876 59.3175 29.4727 177.9649 60 D 4.4199 8.1921 117.8421 57.1554 41.2659 177.8346 61 L 3.4464 8.1046 121.0853 57.7733 42.1652 178.8469 62 K 3.8653 7.9456 119.2674 59.3625 32.1346 178.8724 63 K 3.9983 8.3633 119.0113 59.8947 31.9368 178.8485 64 H 4.4464 8.6937 118.6286 59.0685 29.7580 177.3971 65 G 3.6008 8.3912 108.0474 47.7709 0.0000 175.8306 66 V 3.6004 7.7395 120.0461 66.0232 31.5673 178.0671 67 T 3.8808 7.9422 115.5228 66.7670 68.3044 176.6587 68 V 3.5861 7.9564 120.0095 66.1848 31.5754 178.1768 69 L 4.2428 8.1908 118.6406 57.8248 41.4014 179.6767 70 T 3.9635 8.3569 116.1767 66.5243 68.4231 176.5179 71 A 3.9976 8.0207 122.7291 55.1172 18.3570 179.4852 72 L 3.7606 8.1900 119.0935 58.0486 42.1299 179.3743 73 G 3.2463 8.5045 105.9262 47.6162 0.0000 175.5307 74 A 4.0102 7.7777 122.2284 54.8431 18.6385 179.5859 75 I 3.7982 7.6146 118.2799 64.5630 37.1712 178.6488 76 L 3.9930 7.8976 120.1740 57.6639 41.1940 179.4558 77 K 4.0017 7.7574 116.4987 58.0717 32.2620 178.5673 78 K 3.9942 7.8600 118.4371 55.7782 32.6350 176.5094 79 K 2.0000 8.3742 118.4396 56.3916 29.8473 175.5452 80 G 3.9541 8.0307 106.1050 45.7252 0.0000 174.0038 81 H 4.5772 7.4516 119.2022 55.2805 27.5455 174.8456 82 H 5.2641 7.2842 110.5942 54.3442 29.9013 176.3043 83 E 3.9458 8.6137 122.6280 60.3243 29.0533 178.5511 84 A 4.0649 7.9295 118.7371 55.1159 17.3192 178.9741 85 E 4.1154 8.1137 116.8268 59.4015 29.7334 179.1237 86 L 4.3236 8.1856 118.8866 56.9756 41.6987 179.2020 87 K 3.8474 7.9110 118.7955 59.2855 32.0022 177.3952 88 P 4.2922 0.0000 0.0000 65.5888 31.2962 178.1791 89 L 3.9779 7.5329 119.7623 57.9433 42.0651 178.7511 90 A 4.1273 8.5438 121.0769 55.2528 18.2691 179.5506 91 Q 3.7815 8.1587 116.7178 59.1382 28.7837 179.3826 92 S 3.9541 8.2561 115.3871 61.8303 62.9941 176.2416 93 H 4.1877 8.6380 119.9761 58.1132 28.2134 177.7876 94 A 2.9949 7.8915 122.5339 54.6885 18.1779 179.0528 95 T 3.7487 7.2399 105.8063 62.0105 69.6912 175.4242 96 K 4.2001 7.4326 120.4282 58.2852 33.3470 176.8947 97 H 4.3176 8.0534 114.1962 56.1577 29.3931 175.3401 98 K 3.7513 7.7283 116.9280 57.4108 28.6304 176.4495 99 I 4.2123 7.8523 119.2385 58.7611 38.3731 175.0393 100 P 4.4210 0.0000 0.0000 62.2853 32.0454 177.5891 101 I 3.3774 8.4060 122.0970 64.5993 36.8914 178.4222 102 K 3.6423 7.9410 119.6967 59.8018 31.9099 178.0924 103 Y 4.0537 8.0479 116.5067 60.3794 37.7671 178.0092 104 L 4.1888 7.8727 120.5382 57.4443 41.6488 178.9267 105 E 3.9663 7.8741 119.0777 59.2298 29.6419 178.6616 106 F 4.4828 7.7749 117.8714 60.8093 38.9220 177.5452 107 I 3.9096 8.1834 118.0524 63.8801 37.7637 178.1110 108 S 4.1971 8.2910 116.4886 61.5393 62.5960 176.3358 109 E 4.0631 8.5553 121.1490 59.4139 29.2029 179.3090 110 A 4.0226 8.1549 120.8190 55.0582 18.3899 179.6686 111 I 3.6810 8.1648 118.6955 64.7525 37.2769 178.7222 112 I 3.8651 7.9508 120.4947 64.5925 36.9605 177.9481 113 H 4.1291 8.5025 119.1569 59.4475 29.7094 177.5478 114 V 3.6147 8.0204 120.0090 65.9167 31.3188 177.9762 115 L 3.7817 8.0042 118.9550 57.8125 41.0538 178.9793 116 H 4.4355 8.0357 117.4506 59.3883 29.9217 177.2630 117 S 4.1905 7.9519 116.0401 61.4463 62.7806 176.3007 118 R 4.1367 7.8029 118.6941 57.1252 31.3800 176.3378 119 H 5.0200 8.1113 115.9821 53.9815 29.8676 172.9869 120 P 4.2919 0.0000 0.0000 65.8167 31.7486 179.3316 121 G 3.7085 8.1541 106.4515 47.4668 0.0000 173.5722 122 D 5.0564 8.0661 117.8958 54.0298 41.4652 176.1672 123 F 5.0400 8.0561 121.3203 56.4786 39.7105 174.8718 124 G 3.8640 8.0499 106.9688 44.0422 0.0000 173.1664 125 A 3.9192 8.4047 121.0099 54.8606 18.2295 179.4503 126 D 4.1912 7.9713 117.0692 56.8093 39.4186 178.7288 127 A 3.9916 7.7778 122.0786 54.4361 18.3368 179.4181 128 Q 3.1602 7.8732 117.2673 58.8074 28.7002 179.3165 129 G 3.4728 8.2620 106.8569 47.5531 0.0000 175.7048 130 A 3.8654 7.9679 123.1400 55.1650 18.3316 179.4581 131 M 4.0054 8.4418 117.1958 58.6484 32.2281 177.8963 132 N 4.3127 8.5104 117.6946 56.6473 39.0574 177.0138 133 K 3.8825 8.1098 119.6856 59.3248 32.1119 179.2253 134 A 3.8208 8.0865 121.2653 55.1381 18.3015 179.7331 135 L 4.1211 8.3262 117.7366 57.6398 41.6698 179.5441 136 E 3.9941 8.5251 119.2132 59.2515 29.4008 179.0043 137 L 3.9900 8.1640 120.5101 57.9868 42.1068 178.5499 138 F 4.1315 8.3562 120.5969 61.6770 39.2849 177.4329 139 R 3.5398 8.2077 117.4215 58.8170 29.8606 178.8738 140 K 3.8152 8.4437 119.8551 59.7988 31.8039 178.6253 141 D 4.3588 8.1573 119.0001 57.2156 40.6674 178.8535 142 I 3.5476 7.6197 120.3118 64.1871 36.9195 178.2832 143 A 3.7154 8.1977 121.8206 54.9891 18.1277 179.5606 144 A 3.9443 7.9239 119.2723 55.1808 18.4442 180.0950 145 K 3.9979 7.8506 116.6712 59.6885 32.0754 179.0460 146 Y 4.0734 8.5406 117.5121 61.1276 37.8128 178.8117 147 K 3.9884 8.5234 120.6872 59.3408 32.0641 178.1181 148 E 3.9306 7.9903 118.6307 59.5233 29.6783 178.4404 149 L 4.4137 7.7705 115.1278 54.9884 41.9092 177.4890 150 G 3.7805 8.1697 107.2178 46.4149 0.0000 173.6777 151 Y 4.5911 8.2602 113.9909 57.1788 39.1114 176.7629 152 Q 4.1372 8.2697 123.0240 57.6785 29.5614 176.0617 153 G 4.0474 8.2564 110.3519 45.6419 0.0000 173.0077 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 V 8.05 4.09 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.26 3.98 0.00 0.66 0.62 0.52 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.74 4.53 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.85 4.27 0.00 2.07 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 2.51 2.39 0.00 5 G 8.12 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.21 3.92 0.00 2.02 1.74 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 2.22 2.27 0.00 7 W 8.25 4.47 0.00 3.56 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 8 Q 8.63 4.09 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.98 4.08 0.00 1.98 1.75 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.00 3.75 2.49 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 1.22 0.00 0.00 0.92 0.00 0.00 11 L 8.54 4.36 0.00 1.85 1.81 0.93 1.20 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 12 H 8.32 4.24 0.00 3.33 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.74 2.48 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 0.99 0.00 0.00 0.80 0.00 0.00 14 W 8.60 3.87 0.00 3.69 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.07 4.02 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 16 K 7.66 3.91 0.00 1.43 1.54 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.42 7.81 17 V 6.93 2.96 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 0.00 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 18 E 7.31 3.96 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 19 A 7.43 4.21 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 20 D 7.97 4.65 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.51 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.98 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.40 3.70 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 0.00 0.00 0.00 24 H 8.24 4.17 0.00 3.28 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.28 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 3.88 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 D 7.98 4.28 0.00 2.74 2.64 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 0.00 0.00 0.00 28 I 7.91 3.65 1.87 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 1.51 0.63 0.88 0.00 0.00 29 L 7.74 3.41 0.00 1.27 0.74 0.73 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.66 3.57 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.87 0.00 0.00 31 R 7.93 3.77 0.00 1.89 2.03 0.00 3.06 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 32 L 7.85 3.94 0.00 1.77 1.49 1.07 1.15 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 33 F 8.06 4.58 0.00 3.11 2.89 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 34 K 8.16 4.04 0.00 1.75 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.65 7.81 35 S 8.21 4.29 0.00 3.73 3.57 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 36 H 8.11 4.69 0.00 3.04 2.80 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.50 0.00 2.14 2.09 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.26 4.08 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.36 0.00 39 T 8.27 4.11 4.56 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 1.04 0.00 0.00 40 L 7.89 3.59 0.00 1.25 1.74 0.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.72 4.00 0.00 2.12 2.27 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 2.39 2.45 0.00 42 K 8.03 4.46 0.00 1.96 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.93 7.81 43 F 8.25 4.64 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.61 4.40 0.00 2.63 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 45 R 7.91 3.81 0.00 1.47 1.14 0.00 2.99 0.00 0.00 2.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.29 0.00 46 F 8.06 5.05 0.00 2.89 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 47 K 8.13 4.14 0.00 1.86 2.21 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.45 7.81 48 H 8.10 4.37 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.67 4.17 0.00 1.62 1.59 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.57 4.53 0.00 1.75 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.47 7.81 51 T 7.50 4.75 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 1.21 0.00 0.00 52 E 8.67 3.89 0.00 2.04 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 2.36 2.36 0.00 53 A 7.97 3.98 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 54 E 8.16 3.94 0.00 2.12 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 2.36 2.35 0.00 55 M 8.17 4.18 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.61 0.00 56 K 8.24 4.01 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.66 4.42 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 58 S 7.49 4.34 0.00 3.96 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 59 E 8.87 4.01 0.00 2.14 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 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.91 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 61 L 8.10 3.45 0.00 1.43 1.63 -0.15 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.95 3.87 0.00 1.88 1.98 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.36 4.00 0.00 2.21 1.94 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 64 H 8.69 4.45 0.00 3.63 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.39 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 66 V 7.74 3.60 2.28 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.94 3.88 4.38 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 1.27 0.00 0.00 68 V 7.96 3.59 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 69 L 8.19 4.24 0.00 1.81 1.91 0.87 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 70 T 8.36 3.96 4.46 0.00 0.00 0.00 0.00 0.00 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 71 A 8.02 4.00 1.40 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 0.00 0.00 72 L 8.19 3.76 0.00 1.58 1.70 0.28 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 3.25 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 0.00 74 A 7.78 4.01 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 75 I 7.61 3.80 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.95 0.00 0.00 76 L 7.90 3.99 0.00 1.19 1.56 -0.20 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.76 4.00 0.00 1.66 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.52 7.81 78 K 7.86 3.99 0.00 1.83 1.81 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.76 7.81 79 K 8.37 2.00 0.00 1.21 0.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.64 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.69 7.81 80 G 8.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.45 4.58 0.00 3.15 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.28 5.26 0.00 3.28 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.95 0.00 2.12 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 0.00 2.40 2.47 0.00 84 A 7.93 4.06 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 85 E 8.11 4.12 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 86 L 8.19 4.32 0.00 1.74 1.68 0.98 0.52 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 87 K 7.91 3.85 0.00 1.84 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 88 P 0.00 4.29 0.00 2.28 2.31 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 89 L 7.53 3.98 0.00 1.95 1.88 0.99 1.20 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 90 A 8.54 4.13 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 91 Q 8.16 3.78 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 92 S 8.26 3.95 0.00 3.86 4.09 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 0.00 0.00 0.00 93 H 8.64 4.19 0.00 3.48 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.89 2.99 -0.12 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 95 T 7.24 3.75 4.10 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 0.79 0.00 0.00 96 K 7.43 4.20 0.00 1.55 1.70 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 8.05 4.32 0.00 3.01 3.13 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.73 3.75 0.00 1.88 1.87 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.38 7.81 99 I 7.85 4.21 2.04 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 1.32 0.93 1.08 0.00 0.00 100 P 0.00 4.42 0.00 1.71 1.77 0.00 2.34 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.79 0.00 101 I 8.41 3.38 1.71 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.52 0.71 0.00 0.00 102 K 7.94 3.64 0.00 1.75 1.72 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 0.67 7.81 103 Y 8.05 4.05 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.87 4.19 0.00 1.81 1.81 0.64 0.95 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 0.00 105 E 7.87 3.97 0.00 1.95 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 2.44 2.42 0.00 106 F 7.77 4.48 0.00 3.26 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 3.91 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 1.10 0.00 0.00 108 S 8.29 4.20 0.00 4.20 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 0.00 109 E 8.56 4.06 0.00 2.29 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 2.67 2.61 0.00 110 A 8.15 4.02 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 0.00 111 I 8.16 3.68 2.10 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 1.60 0.72 1.05 0.00 0.00 112 I 7.95 3.87 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.12 1.19 0.00 0.00 113 H 8.50 4.13 0.00 3.34 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.02 3.61 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 0.89 0.00 0.00 0.98 0.00 0.00 115 L 8.00 3.78 0.00 1.10 0.41 0.80 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.04 4.44 0.00 3.59 3.64 0.00 5.95 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 0.00 117 S 7.95 4.19 0.00 3.98 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 0.00 118 R 7.80 4.14 0.00 1.47 1.54 0.00 2.73 0.00 0.00 2.71 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 119 H 8.11 5.02 0.00 3.16 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.29 0.00 2.20 2.23 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.15 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 0.00 122 D 8.07 5.06 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.06 5.04 0.00 2.98 3.04 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 0.00 124 G 8.05 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 0.00 125 A 8.40 3.92 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 0.00 126 D 7.97 4.19 0.00 2.87 2.90 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 0.00 127 A 7.78 3.99 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 0.00 128 Q 7.87 3.16 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 129 G 8.26 3.47 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 0.00 130 A 7.97 3.87 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 0.00 131 M 8.44 4.01 0.00 2.40 2.48 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 132 N 8.51 4.31 0.00 2.85 2.95 0.00 0.00 7.18 7.92 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 0.00 133 K 8.11 3.88 0.00 1.86 1.66 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 8.09 3.82 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 0.00 135 L 8.33 4.12 0.00 1.74 1.79 0.98 0.99 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 0.00 136 E 8.53 3.99 0.00 2.20 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 2.34 2.53 0.00 137 L 8.16 3.99 0.00 1.78 1.96 1.04 1.01 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 0.00 138 F 8.36 4.13 0.00 3.05 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.21 3.54 0.00 2.02 1.85 0.00 3.14 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 140 K 8.44 3.82 0.00 1.78 2.00 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.16 4.36 0.00 2.76 2.68 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 0.00 142 I 7.62 3.55 1.31 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.20 0.46 0.00 0.00 143 A 8.20 3.72 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 0.00 144 A 7.92 3.94 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 0.00 145 K 7.85 4.00 0.00 2.04 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.64 7.81 146 Y 8.54 4.07 0.00 3.06 3.04 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 0.00 147 K 8.52 3.99 0.00 2.10 1.99 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.99 3.93 0.00 2.04 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 0.00 2.35 2.39 0.00 149 L 7.77 4.41 0.00 1.97 1.94 0.79 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.17 3.78 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 0.00 0.00 0.00 151 Y 8.26 4.59 0.00 2.65 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 0.00 152 Q 8.27 4.14 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 153 G 8.26 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