NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9626 8.3549 109.7383 45.4982 0.0000 172.6741 2 L 4.3177 8.0454 118.3940 51.3960 43.1107 175.8132 3 S 4.5468 9.9084 118.6699 57.8086 66.2792 174.9859 4 D 4.6610 8.6943 121.7225 57.5657 40.6647 179.2694 5 G 3.6487 8.1026 105.7737 47.8676 0.0000 175.4875 6 E 3.9813 8.2706 120.9192 58.9226 29.4188 179.4170 7 W 4.3094 8.3171 119.2281 59.7610 29.0721 178.2938 8 Q 4.0736 8.5257 119.7304 59.2991 28.4713 178.4677 9 Q 4.0213 8.0801 118.6489 58.8544 28.7522 178.6591 10 V 3.6880 8.0224 119.3517 66.3545 31.4114 178.1267 11 L 4.2500 8.1116 116.5594 57.1599 41.6897 178.6431 12 N 4.5335 8.2042 117.8027 56.5359 38.9049 177.1086 13 V 3.6266 8.4248 120.2158 65.7218 31.6683 177.8100 14 W 4.1624 8.6973 128.1712 60.0327 30.2195 177.9684 15 G 3.7320 7.6911 104.8821 47.7287 0.0000 175.4927 16 K 3.9793 7.9354 120.7037 59.2318 32.1196 179.6000 17 V 2.7216 6.8691 117.9614 65.6288 31.1517 177.6012 18 E 3.9506 7.4448 116.1670 58.3114 29.3166 178.5210 19 A 4.2132 7.3047 119.8467 53.7660 20.0405 177.6437 20 D 4.6658 7.6336 115.8683 52.1404 42.6850 175.2061 21 I 3.5940 7.7775 123.2898 63.8111 38.3957 176.6799 22 A 4.0487 7.9525 121.2623 55.0141 18.3312 179.6935 23 G 3.7092 8.2951 105.5722 47.7751 0.0000 175.7035 24 H 4.1055 8.3743 119.1693 58.2959 28.7348 178.0633 25 G 3.6224 8.2726 107.8227 47.8198 0.0000 175.3888 26 Q 3.8378 8.2288 122.4013 59.0150 29.0366 178.2925 27 E 3.8535 8.0363 119.5475 59.1399 29.3201 179.5567 28 V 3.4992 7.8233 118.3045 66.0718 31.6745 178.1136 29 L 3.3573 7.5595 118.5337 57.6077 41.2457 179.6474 30 I 3.6452 7.7052 119.9227 64.2333 37.0062 178.4678 31 R 3.7956 8.1053 119.8597 59.1296 29.9063 178.3735 32 L 3.9031 7.8137 120.3212 58.2715 42.1063 179.0618 33 F 4.5574 8.1543 118.4002 60.8086 38.6186 177.9065 34 T 4.1423 8.1923 109.1262 64.6359 68.7796 176.7507 35 G 3.6389 7.9231 107.5791 46.1503 0.0000 173.6868 36 H 4.7275 8.0092 117.5474 51.6738 29.7720 171.5895 37 P 4.3860 0.0000 0.0000 64.8692 31.3721 177.4003 38 E 4.0869 8.2976 115.9018 59.7102 29.2926 179.2485 39 T 3.8298 8.2132 111.1056 64.5459 68.7781 176.1631 40 L 3.5022 7.8901 123.1191 57.9019 41.7946 178.7166 41 E 4.1591 7.9047 117.0930 58.5970 29.4382 178.7256 42 K 4.4805 8.1942 117.4985 56.8195 32.6153 176.6451 43 F 4.6438 8.1189 118.9095 55.5646 39.0412 176.1708 44 D 4.4773 8.6099 126.7712 56.3591 40.8299 177.7729 45 K 4.2430 7.7897 116.1220 57.1652 33.2742 176.8545 46 F 5.0162 7.9184 117.3876 56.8695 40.5246 176.7580 47 K 4.0893 8.0899 120.3377 59.3631 32.5877 177.7985 48 H 4.2949 7.9952 114.0664 57.2596 28.8559 175.2686 49 L 4.1310 7.2824 120.4093 54.6087 40.6305 176.6561 50 K 4.1485 9.4290 125.3359 58.1124 32.7663 178.0833 51 T 4.6589 7.6556 107.5309 59.3780 72.9231 174.4422 52 E 3.9796 8.5520 120.5263 58.8590 29.5970 178.4675 53 A 3.9639 7.9053 120.7489 55.2955 18.3405 179.3053 54 E 3.9869 7.8952 115.5639 59.5529 29.7139 179.4060 55 M 4.1404 7.7570 118.4291 58.3958 31.9150 178.7835 56 K 3.9599 8.3618 118.2333 58.7388 32.4114 177.6106 57 A 4.5810 7.6071 118.5885 51.0154 19.2483 176.6987 58 S 4.4316 7.5935 114.3441 57.2775 62.7022 174.7657 59 E 4.0738 8.7718 128.5547 59.1991 29.2085 178.6362 60 D 4.4812 8.1639 118.0604 56.9787 41.3539 177.8231 61 L 3.8155 8.0613 120.9394 57.9215 42.1676 178.8778 62 K 3.9175 7.8923 119.7811 59.1721 32.2241 178.7202 63 K 3.9680 8.1725 120.0513 59.9051 32.1542 178.3693 64 H 4.4231 8.9300 119.0541 59.1128 29.7939 177.3313 65 G 3.7088 8.3948 107.8322 48.1652 0.0000 175.8282 66 T 3.9240 7.9101 117.7053 66.2764 68.5350 177.0067 67 V 3.6081 7.6239 119.8182 65.9267 31.5674 178.2231 68 V 3.6153 8.1111 118.2628 66.2616 31.4222 178.1174 69 L 4.3214 8.1680 118.4567 57.8694 41.4119 179.6564 70 T 4.0255 8.2483 115.9934 66.3257 68.4681 176.6781 71 A 3.9588 8.0271 122.6463 55.1398 18.4033 179.4332 72 L 3.7140 8.0195 119.0777 58.0922 42.1134 179.4139 73 G 3.0347 8.3946 105.9683 47.4528 0.0000 175.8850 74 G 3.6142 7.7538 107.1828 47.5130 0.0000 175.6096 75 I 3.8420 7.4828 121.7147 64.2050 37.1743 178.5240 76 L 3.9601 7.7679 120.0421 57.6415 41.1670 179.4895 77 K 3.9987 7.6500 116.6486 58.1214 32.2705 178.5391 78 K 3.9620 7.8297 118.2969 55.7076 32.9182 176.3484 79 K 2.0000 8.2122 118.6395 56.3500 29.8581 173.9224 80 G 4.0695 7.8165 105.5844 46.0864 0.0000 173.7454 81 H 4.4938 7.5433 118.3224 55.1113 27.4925 174.9207 82 H 5.4852 7.2959 110.9151 54.5336 29.7770 176.4089 83 E 3.9077 8.6651 122.1910 60.3656 28.9736 178.6926 84 A 4.0337 7.9067 118.4036 55.2132 18.9301 178.9641 85 E 4.1017 8.1204 116.6950 59.1651 29.6839 178.9278 86 L 4.0896 8.6242 120.7440 57.4082 42.2207 178.4285 87 K 3.8490 8.1471 120.0538 59.2324 32.0780 176.8131 88 P 4.2772 0.0000 0.0000 65.9183 31.0673 178.3143 89 L 4.0419 7.9157 117.9753 57.5116 41.7764 178.9755 90 A 4.1523 8.1680 120.7718 55.3901 18.2194 179.7837 91 Q 3.8788 8.2922 116.7493 59.0627 28.7244 179.1037 92 S 3.9793 8.2529 115.4155 61.7989 62.9967 176.2342 93 H 4.1456 8.6392 119.4573 57.7426 26.8518 177.5730 94 A 2.5800 7.5373 122.4541 54.5092 18.3845 179.6021 95 T 3.9217 7.4736 112.8601 65.2806 68.7631 176.0447 96 K 4.1041 7.3949 119.8156 58.5502 32.9572 177.0661 97 H 4.3501 7.8564 113.6557 55.8836 29.4252 175.2683 98 K 3.5057 6.7480 116.6747 57.2816 29.4793 176.6219 99 I 4.3337 8.2636 119.9898 58.9755 38.0205 175.0324 100 P 4.6944 0.0000 0.0000 61.7435 31.9630 177.7234 101 I 3.5963 8.4666 120.5760 63.8813 37.7467 178.1596 102 K 3.6786 7.8726 120.2911 59.6355 31.9836 178.1139 103 Y 4.3307 7.9229 116.8257 60.7503 37.7817 178.1299 104 L 4.2427 7.8995 120.1883 57.2099 41.6976 179.0245 105 E 3.9009 7.8445 119.1137 59.2153 29.6488 178.3579 106 F 4.5071 7.9180 117.8711 61.0731 39.0983 177.7284 107 I 3.8018 8.1649 117.6908 63.8689 37.5786 178.2128 108 S 4.2283 8.1129 116.3653 61.8193 62.6722 176.2903 109 D 4.4685 8.4376 121.3610 57.2382 40.4435 178.6741 110 A 4.0414 8.3180 121.5449 55.2408 18.3770 179.6644 111 I 3.6733 7.9402 118.2359 64.6179 37.3217 178.6953 112 I 3.8485 7.6803 120.4000 64.6438 36.8928 177.9079 113 H 4.1983 8.5346 119.1717 59.4672 29.6689 177.4745 114 V 3.4845 8.1678 120.3097 65.8427 31.2871 177.9822 115 L 3.8365 7.8487 118.8434 58.0506 41.1253 179.2337 116 H 4.3936 7.8776 114.6476 58.8674 28.7185 177.5368 117 S 4.1676 8.1162 114.4585 61.1805 62.3321 175.8893 118 K 4.0977 8.1132 119.7559 57.5922 33.1445 176.6502 119 H 4.9617 8.1126 116.2562 53.4247 29.3563 172.0839 120 P 4.4125 0.0000 0.0000 64.5459 31.6029 177.2704 121 G 3.9557 9.1440 110.3498 45.7920 0.0000 172.8458 122 D 4.9379 8.4787 117.2409 53.5798 41.7497 175.9839 123 F 5.0035 7.9994 120.0626 55.0094 39.5093 174.9411 124 G 3.7864 8.1559 112.3479 43.5106 0.0000 170.7081 125 A 3.8839 8.4381 122.3051 55.1157 18.2770 179.7330 126 D 4.2156 7.9994 116.7217 56.6465 39.3888 178.5217 127 A 3.9913 7.7985 121.9854 54.7473 18.3976 179.1972 128 Q 3.5713 8.0030 118.5926 58.9536 29.0194 178.6850 129 G 3.5144 8.0978 106.5973 47.6361 0.0000 175.5736 130 A 3.8270 8.0441 123.4089 55.0931 18.4558 179.3779 131 M 4.0427 8.2870 116.8821 59.1163 32.3126 178.5336 132 T 3.9234 8.2580 116.1525 66.6556 68.6490 176.7947 133 K 4.1968 8.2551 121.4652 58.7896 32.0130 179.3330 134 A 3.8797 7.8955 121.1403 55.1369 18.2550 179.7544 135 L 4.1316 8.1847 117.5536 57.8459 41.6409 179.6104 136 E 4.0188 8.4060 118.8658 59.0329 29.3412 178.9678 137 L 4.0779 8.1156 120.5056 58.0450 42.1864 178.5967 138 F 4.1962 8.3540 120.5462 61.5815 39.2940 177.0110 139 R 3.5386 8.2816 118.2076 59.3749 29.9592 178.0137 140 N 4.2320 8.6937 117.1665 56.7512 38.6659 176.7139 141 D 4.3942 8.4806 120.7387 57.1155 40.7726 178.8728 142 I 3.5555 7.4859 120.4292 64.1196 37.0650 178.1006 143 A 3.6959 7.9081 121.5067 55.0296 18.1216 179.5780 144 A 3.9588 7.8569 118.9356 55.3775 18.5005 180.0947 145 K 4.0496 7.7704 116.7227 59.6758 32.0160 179.3042 146 Y 4.1785 8.3964 117.5031 61.0043 37.7945 178.4112 147 K 3.9969 8.3845 120.6587 59.2511 32.0409 178.3783 148 E 3.9275 7.9562 118.8988 59.3705 29.7099 178.4715 149 L 4.2749 7.8902 116.2784 54.8358 41.8441 177.6445 150 G 3.8886 7.6777 106.6433 46.1584 0.0000 173.1940 151 F 4.4904 8.2269 121.7697 57.0920 40.4895 175.6399 152 Q 3.8643 7.4690 124.9739 55.8855 29.1241 175.3041 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 G 8.35 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.05 4.32 0.00 0.45 0.75 0.55 -0.59 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 3 S 9.91 4.55 0.00 4.01 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 D 8.69 4.66 0.00 2.77 2.84 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 5 G 8.10 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.27 3.98 0.00 1.99 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 7 W 8.32 4.31 0.00 3.53 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.53 4.07 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.08 4.02 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.54 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 10 V 8.02 3.69 2.51 0.00 0.00 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 0.87 0.00 0.00 11 L 8.11 4.25 0.00 1.76 1.80 0.91 0.94 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 12 N 8.20 4.53 0.00 2.94 3.02 0.00 0.00 6.66 7.87 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 13 V 8.42 3.63 2.39 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 0.87 0.00 0.00 1.18 0.00 0.00 14 W 8.70 4.16 0.00 3.62 3.23 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 15 G 7.69 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 16 K 7.94 3.98 0.00 1.65 1.51 0.00 1.40 0.00 0.00 0.90 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.28 7.81 17 V 6.87 2.72 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.02 0.00 0.00 18 E 7.44 3.95 0.00 1.90 1.95 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 2.30 2.31 0.00 19 A 7.30 4.21 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 20 D 7.63 4.67 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.59 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.31 0.89 0.00 0.00 22 A 7.95 4.05 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 23 G 8.30 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 24 H 8.37 4.11 0.00 3.08 3.22 0.00 5.83 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 8.27 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 26 Q 8.23 3.84 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 E 8.04 3.85 0.00 1.96 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 2.25 2.37 0.00 28 V 7.82 3.50 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.94 0.00 0.00 29 L 7.56 3.36 0.00 1.50 0.78 0.84 0.72 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 30 I 7.71 3.65 1.77 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 1.35 0.72 0.86 0.00 0.00 31 R 8.11 3.80 0.00 1.94 2.10 0.00 3.04 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 32 L 7.81 3.90 0.00 1.73 1.38 1.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.15 4.56 0.00 2.95 2.85 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 34 T 8.19 4.14 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 1.22 0.00 0.00 35 G 7.92 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 36 H 8.01 4.73 0.00 3.00 2.88 0.00 5.66 0.00 0.00 0.00 0.00 6.87 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 4.39 0.00 2.14 2.12 0.00 3.83 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 2.09 2.01 0.00 38 E 8.30 4.09 0.00 2.32 2.31 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 2.26 2.60 0.00 39 T 8.21 3.83 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 0.67 0.00 0.00 40 L 7.89 3.50 0.00 1.48 1.74 -0.03 0.83 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 41 E 7.90 4.16 0.00 2.19 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 0.00 2.38 2.54 0.00 42 K 8.19 4.48 0.00 2.01 1.81 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.22 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.79 2.04 7.81 43 F 8.12 4.64 0.00 3.23 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 44 D 8.61 4.48 0.00 2.64 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 K 7.79 4.24 0.00 1.59 1.72 0.00 1.31 0.00 0.00 1.48 0.00 0.00 2.76 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.92 0.21 7.81 46 F 7.92 5.02 0.00 2.79 2.54 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 47 K 8.09 4.09 0.00 1.86 2.07 0.00 1.59 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.65 1.45 7.81 48 H 8.00 4.29 0.00 3.27 3.51 0.00 5.72 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 7.28 4.13 0.00 1.64 1.61 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.43 4.15 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.52 7.81 51 T 7.66 4.66 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 8.55 3.98 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 2.35 2.35 0.00 53 A 7.91 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.90 3.99 0.00 2.14 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 2.36 2.35 0.00 55 M 7.76 4.14 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.51 0.00 56 K 8.36 3.96 0.00 1.65 2.02 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.61 4.58 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 58 S 7.59 4.43 0.00 4.05 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 59 E 8.77 4.07 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 60 D 8.16 4.48 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 8.06 3.82 0.00 1.47 1.71 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 3.92 0.00 1.80 1.97 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 63 K 8.17 3.97 0.00 2.06 2.05 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 H 8.93 4.42 0.00 3.65 3.60 0.00 5.84 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 3.71 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 66 T 7.91 3.92 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 1.23 0.00 0.00 67 V 7.62 3.61 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 1.04 0.00 0.00 1.02 0.00 0.00 68 V 8.11 3.62 2.26 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 1.08 0.00 0.00 1.00 0.00 0.00 69 L 8.17 4.32 0.00 1.79 1.83 0.82 0.78 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 70 T 8.25 4.03 4.47 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 1.26 0.00 0.00 71 A 8.03 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.02 3.71 0.00 1.64 1.67 -0.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.39 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 0.00 0.00 0.00 74 G 7.75 3.61 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 0.00 0.00 0.00 75 I 7.48 3.84 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.94 0.00 0.00 76 L 7.77 3.96 0.00 1.23 1.49 -0.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.65 4.00 0.00 1.76 1.76 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.48 7.81 78 K 7.83 3.96 0.00 1.85 1.80 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 8.21 2.00 0.00 1.11 0.74 0.00 1.29 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.46 0.99 7.81 80 G 7.82 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 81 H 7.54 4.49 0.00 3.12 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.30 5.49 0.00 3.29 3.46 0.00 5.67 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.67 3.91 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 2.40 2.48 0.00 84 A 7.91 4.03 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 8.12 4.10 0.00 2.23 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 2.39 2.43 0.00 86 L 8.62 4.09 0.00 1.72 1.72 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.15 3.85 0.00 2.13 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.28 0.00 2.33 2.31 0.00 3.68 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 2.24 2.16 0.00 89 L 7.92 4.04 0.00 1.93 1.78 1.04 0.86 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 90 A 8.17 4.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.29 3.88 0.00 2.25 2.11 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 2.36 2.57 0.00 92 S 8.25 3.98 0.00 3.96 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 93 H 8.64 4.15 0.00 3.48 3.55 0.00 5.80 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 7.54 2.58 0.22 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 0.00 0.00 95 T 7.47 3.92 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 1.09 0.00 0.00 96 K 7.39 4.10 0.00 1.51 1.59 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.23 1.34 7.81 97 H 7.86 4.35 0.00 3.16 3.14 0.00 5.86 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 98 K 6.75 3.51 0.00 1.94 1.99 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 99 I 8.26 4.33 2.10 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 1.51 0.95 1.20 0.00 0.00 100 P 0.00 4.69 0.00 1.60 1.70 0.00 2.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.80 0.00 101 I 8.47 3.60 1.73 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.05 0.83 0.00 0.00 102 K 7.87 3.68 0.00 1.74 1.61 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 0.58 7.81 103 Y 7.92 4.33 0.00 3.27 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 0.00 104 L 7.90 4.24 0.00 1.79 1.72 0.62 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.84 3.90 0.00 1.92 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 2.42 2.40 0.00 106 F 7.92 4.51 0.00 3.29 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 0.00 107 I 8.16 3.80 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.41 1.11 0.00 0.00 108 S 8.11 4.23 0.00 4.25 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 D 8.44 4.47 0.00 2.98 2.82 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 0.00 110 A 8.32 4.04 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 0.00 111 I 7.94 3.67 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 1.59 0.80 1.00 0.00 0.00 112 I 7.68 3.85 2.18 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.41 1.15 0.00 0.00 113 H 8.53 4.20 0.00 3.30 3.53 0.00 5.79 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 8.17 3.48 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 115 L 7.85 3.84 0.00 1.35 0.58 0.48 0.79 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 0.00 116 H 7.88 4.39 0.00 3.39 3.39 0.00 5.66 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 0.00 117 S 8.12 4.17 0.00 3.69 3.88 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 0.00 0.00 0.00 118 K 8.11 4.10 0.00 1.47 1.47 0.00 1.60 0.00 0.00 1.20 0.00 0.00 2.54 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.26 1.43 7.81 119 H 8.11 4.96 0.00 3.24 3.19 0.00 5.63 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 4.41 0.00 2.19 2.10 0.00 3.89 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 121 G 9.14 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.48 4.94 0.00 2.62 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.00 5.00 0.00 2.76 2.85 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 0.00 124 G 8.16 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.44 3.88 1.27 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 0.00 0.00 126 D 8.00 4.22 0.00 2.85 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 0.00 127 A 7.80 3.99 1.46 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 0.00 0.00 0.00 128 Q 8.00 3.57 0.00 1.17 1.90 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 2.26 2.30 0.00 129 G 8.10 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.83 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 0.00 131 M 8.29 4.04 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.82 0.00 132 T 8.26 3.92 4.39 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 0.00 0.00 0.00 1.23 0.00 0.00 133 K 8.26 4.20 0.00 1.82 1.68 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 134 A 7.90 3.88 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 0.00 135 L 8.18 4.13 0.00 1.92 1.84 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.41 4.02 0.00 2.17 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 2.35 2.66 0.00 137 L 8.12 4.08 0.00 1.91 1.99 0.99 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 0.00 138 F 8.35 4.20 0.00 3.18 3.29 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 0.00 0.00 0.00 139 R 8.28 3.54 0.00 2.09 2.03 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 140 N 8.69 4.23 0.00 2.94 2.90 0.00 0.00 7.24 8.74 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 0.00 141 D 8.48 4.39 0.00 2.73 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 0.00 142 I 7.49 3.56 1.49 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.11 0.27 0.00 0.00 143 A 7.91 3.70 1.27 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 0.00 0.00 144 A 7.86 3.96 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 0.00 145 K 7.77 4.05 0.00 2.04 1.95 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.64 7.81 146 Y 8.40 4.18 0.00 3.05 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 0.00 147 K 8.38 4.00 0.00 1.87 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.96 3.93 0.00 2.20 2.23 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 2.34 2.37 0.00 149 L 7.89 4.27 0.00 1.81 1.67 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.68 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 0.00 0.00 0.00 151 F 8.23 4.49 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 7.47 3.86 0.00 1.78 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.42 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00