NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9605 8.3549 109.7385 45.6124 0.0000 172.6050 2 L 4.2997 8.2510 121.1626 51.3687 43.2005 175.4758 3 S 4.4839 9.6411 119.4655 57.7690 66.1464 174.9794 4 D 4.6443 8.7860 121.8860 57.7101 40.5659 179.3873 5 G 3.6972 8.1258 105.4084 47.9583 0.0000 175.3346 6 E 3.9312 8.2437 121.1828 58.9169 29.4095 179.5031 7 W 4.3376 8.3034 119.1741 59.7679 29.0379 178.2800 8 Q 4.0611 8.3916 119.5670 59.3755 28.4317 178.4539 9 Q 4.0358 8.2279 119.0131 58.8543 28.7040 178.7552 10 V 3.6912 8.0547 119.3739 66.3965 31.6205 178.2158 11 L 4.2252 8.3797 118.2742 57.2704 41.1838 179.1141 12 N 4.3326 8.2319 116.9336 56.6800 39.2753 176.6372 13 V 3.7119 8.1039 119.8600 65.9018 31.6144 177.7608 14 W 4.1576 8.6844 128.2310 60.2755 30.2602 177.9613 15 G 3.6968 7.8403 104.7567 47.7262 0.0000 175.4427 16 K 3.9873 7.8269 120.5259 59.2468 32.0580 179.5707 17 V 2.6997 7.0553 117.8691 65.6968 31.1176 177.6971 18 E 3.8503 7.5189 116.4586 58.5852 29.2848 178.6620 19 A 4.2452 7.3101 119.7156 53.6221 19.7722 177.6507 20 D 4.6718 7.7178 116.5973 52.1567 42.7891 175.4286 21 I 3.6466 7.9789 124.6763 63.8933 37.5792 177.3710 22 A 4.1475 7.4362 122.5590 54.4496 18.2389 179.8306 23 G 3.5572 8.2591 105.5076 47.7919 0.0000 175.6980 24 H 4.1467 8.2912 119.3010 58.2771 28.6468 178.2455 25 G 3.4842 8.3381 107.7459 47.7341 0.0000 175.1579 26 Q 3.8622 8.2691 123.0816 59.2617 28.9844 178.9325 27 E 3.8619 8.1191 119.1036 59.0080 29.3490 179.6184 28 V 3.5017 7.8736 118.6076 66.0455 31.5697 178.1633 29 L 3.3985 7.7698 118.6930 57.4943 41.2537 179.5684 30 I 3.5648 7.6971 120.0214 64.2538 37.0294 178.4002 31 R 3.7666 7.9388 119.5315 59.1897 29.8891 178.2390 32 L 3.9231 7.8249 120.1211 58.4030 41.9251 179.1026 33 F 4.6174 8.1364 118.2115 60.6341 38.5942 177.8970 34 T 4.0787 8.1005 109.1693 64.5928 68.8971 176.9572 35 G 3.6203 7.9172 107.6063 46.3555 0.0000 173.7624 36 H 4.8037 7.9824 117.6399 52.1740 29.8356 171.9451 37 P 4.4937 0.0000 0.0000 64.4536 31.3494 177.5226 38 E 4.0784 8.2852 116.5195 59.6202 29.3090 179.1987 39 T 3.9059 8.2162 111.0854 64.5021 68.8377 176.3361 40 L 3.4924 7.8315 123.1916 57.8165 41.7860 178.6993 41 E 4.1527 7.7872 117.5438 58.6546 29.4445 178.7240 42 K 4.4687 8.1051 117.3997 56.9151 32.8621 176.9105 43 F 4.6183 8.0884 119.0107 55.2572 39.2251 175.5794 44 D 4.4059 8.6121 127.1241 57.0761 40.8115 178.8210 45 K 4.2297 7.8166 114.9561 57.5216 33.1066 176.9532 46 F 5.0901 7.9454 117.5360 57.1154 40.4538 177.0782 47 K 3.8729 7.6849 119.6897 59.5229 31.8931 177.6954 48 H 4.3345 8.1425 112.1210 56.7911 28.8297 175.4590 49 L 4.1727 7.5090 121.1069 54.2034 40.2755 176.4002 50 K 4.3015 9.3781 124.5264 57.1869 33.1100 177.9495 51 T 4.7319 7.5321 108.2997 58.9126 73.1056 174.2092 52 E 3.9233 8.7078 121.8158 59.2981 29.6339 179.0316 53 A 3.9672 7.9141 120.4910 55.1940 18.3258 179.1882 54 E 3.9459 8.0896 115.9114 59.8358 29.6722 179.2285 55 M 4.1644 7.9766 118.6513 58.4354 31.8162 179.0295 56 K 3.9701 8.2269 117.6198 59.1358 32.3134 178.6690 57 A 4.4055 7.8539 118.8546 52.2410 18.7049 177.2098 58 S 4.3908 7.5891 113.5656 57.2982 62.3772 174.6445 59 E 4.0564 8.7835 128.9071 59.3217 29.2509 178.6997 60 D 4.4289 8.1762 117.9389 57.0384 41.3109 177.8266 61 L 3.6882 8.1212 121.2164 57.7586 41.9270 179.0362 62 K 3.8825 7.8298 118.5416 59.3004 32.0397 178.9202 63 K 3.8718 8.2748 119.9977 60.0899 31.9977 178.1958 64 H 4.4017 8.7025 118.4531 59.1883 29.7190 177.3540 65 G 3.6089 8.3842 107.7652 48.0440 0.0000 175.6848 66 T 3.8757 8.1717 118.2438 66.4335 68.4973 176.7763 67 V 3.7167 7.7411 120.0125 65.9383 31.5768 178.2190 68 V 3.5890 8.0225 118.1413 66.2548 31.4178 178.1418 69 L 4.2867 8.3235 118.9168 57.9185 41.3933 179.6489 70 T 3.9952 8.3214 115.9687 66.4700 68.3577 176.4844 71 A 3.9613 8.0973 122.6778 55.0897 18.4673 179.3500 72 L 3.6839 8.0086 119.0074 58.1736 42.0780 179.3723 73 G 3.0948 8.4363 106.0663 47.5064 0.0000 175.8042 74 G 3.6022 7.7508 107.1197 47.5209 0.0000 175.6097 75 I 3.8503 7.5773 122.1519 64.1863 37.1957 178.5628 76 L 3.9691 7.9329 120.1706 57.6211 41.1729 179.4733 77 K 4.0117 7.7439 116.7509 58.1524 32.2564 178.5262 78 K 3.9901 7.8108 118.4171 55.7009 32.5472 176.5632 79 K 2.0000 8.2739 118.0371 56.3475 29.7885 175.9521 80 G 3.8866 7.9119 106.5753 45.7425 0.0000 174.1208 81 H 4.5875 7.2706 119.1443 55.3663 27.4421 174.9001 82 H 5.5140 7.2912 110.5903 54.1898 29.8119 176.0623 83 E 3.9274 8.6084 122.4062 60.2573 29.0803 178.5651 84 A 4.0042 7.9127 118.6928 55.1822 18.9112 178.9608 85 E 4.0997 8.1272 116.7286 59.0488 29.6116 178.9170 86 L 4.0338 8.2986 120.6761 57.4723 42.2178 178.2613 87 K 3.8153 8.1499 120.1375 59.3900 31.9983 176.7501 88 P 4.2481 0.0000 0.0000 65.7731 31.0884 178.3314 89 L 4.0307 7.9288 118.0665 57.4626 41.6888 178.8232 90 A 4.1004 8.1888 120.9476 55.6056 18.2477 179.8011 91 Q 3.9193 8.4048 116.8940 59.0495 28.6985 179.1782 92 S 4.0016 8.5227 115.8241 61.7220 63.1198 176.2858 93 H 4.1519 8.6820 119.7466 58.0399 28.4967 177.7324 94 A 2.5800 7.8053 122.6636 54.7519 18.0710 179.5462 95 T 3.9151 7.5404 112.2948 64.4846 68.9013 175.8681 96 K 4.1714 7.4626 119.6747 58.3080 33.2551 176.9190 97 H 4.3668 7.9006 113.6899 55.8375 29.4662 175.3578 98 K 3.7039 7.4281 116.6331 56.3662 28.8827 176.3961 99 I 4.2893 8.1326 119.3430 59.0397 38.0597 175.1091 100 P 4.6509 0.0000 0.0000 62.2379 31.9845 177.6832 101 I 3.6478 8.5065 120.3868 63.8708 37.7399 177.9951 102 K 3.5984 8.0193 120.3482 59.8927 31.8500 178.0694 103 Y 4.2150 7.9819 116.6180 60.8126 37.6668 178.2771 104 L 4.1828 7.8985 119.9027 57.5161 41.7327 178.7286 105 E 3.9542 8.1526 119.3879 59.3567 29.5147 178.7860 106 F 4.5091 8.1059 117.7992 60.9926 39.0442 177.6422 107 I 3.8280 8.1563 117.9855 63.8532 37.8597 178.0777 108 S 4.2096 8.4685 116.4768 61.8261 62.7464 176.3348 109 D 4.4750 8.4891 121.3539 57.3651 40.4620 178.7586 110 A 4.0547 8.3199 121.4254 55.1076 18.3388 179.6907 111 I 3.6598 7.9569 118.2786 64.6530 37.2880 178.6231 112 I 3.8495 7.7025 120.0791 64.6825 36.8994 177.9422 113 H 4.1139 8.4295 118.9240 59.4232 29.6727 177.4140 114 V 3.5637 8.1685 120.3149 65.8882 31.2523 177.9351 115 L 3.8177 7.9950 118.7222 58.1207 41.3634 179.1966 116 H 4.3398 8.1404 115.9657 59.0019 28.4100 177.8809 117 S 4.1548 8.0092 114.1505 61.1199 62.3350 175.8270 118 K 4.1219 8.1166 119.7243 57.5486 33.1182 176.5947 119 H 4.9744 7.9598 116.4884 53.8604 29.4499 171.9926 120 P 4.5649 0.0000 0.0000 63.5880 31.8851 177.4315 121 G 3.9816 9.1170 110.3617 45.7887 0.0000 172.9715 122 D 4.9405 8.4441 117.9614 53.6288 41.6282 175.8589 123 F 4.9523 8.0528 120.0239 54.9740 39.6420 174.9610 124 G 3.8106 8.1500 112.9200 43.3025 0.0000 170.9069 125 A 3.8928 8.4246 122.2540 55.1431 18.2773 179.7838 126 D 4.2232 7.9762 116.7924 56.5314 39.4579 178.5220 127 A 3.9893 7.7886 121.8433 54.7767 18.4032 179.1003 128 Q 3.6207 7.8592 118.5808 59.0997 28.9964 178.8190 129 G 3.5277 7.9942 106.4128 47.6699 0.0000 175.5515 130 A 3.8384 7.9964 123.3474 55.0264 18.4163 179.3494 131 M 4.0088 8.3422 117.0374 59.0747 32.2704 178.4021 132 T 3.8909 8.2209 116.0921 66.7429 68.6942 176.5266 133 K 3.9777 8.1279 120.0101 59.5380 32.0656 179.2602 134 A 3.8784 7.9782 120.8653 55.1276 18.2213 179.7487 135 L 4.0702 8.2003 117.6617 57.8550 41.6696 179.5867 136 E 3.9891 8.4772 118.8517 59.1976 29.3889 179.0336 137 L 3.9640 8.0816 120.3935 58.0813 42.2002 178.6826 138 F 4.1544 8.3672 120.5090 61.5062 39.2843 177.0915 139 R 3.5784 8.3447 118.3618 59.3190 29.8591 177.9730 140 N 4.2618 8.7298 117.2384 56.7107 38.8046 176.6950 141 D 4.3266 8.2226 120.4318 57.1956 40.8213 178.6925 142 I 3.4463 7.4550 120.1061 64.2747 36.9650 178.2486 143 A 3.7189 8.0660 121.6447 54.9713 18.1090 179.4979 144 A 3.9309 7.9158 119.2555 55.3966 18.4658 180.0884 145 K 4.0353 7.8613 117.1052 59.6919 31.9913 179.2356 146 Y 4.2692 8.4467 117.5744 61.0050 37.7987 178.5646 147 K 3.9782 8.4957 120.7328 59.3908 32.0822 178.3374 148 E 3.9692 7.9618 117.9325 59.8043 29.6549 179.2568 149 L 4.2702 7.8838 115.5639 54.8970 41.7593 177.6581 150 G 3.8741 7.7591 106.9061 46.2503 0.0000 173.1532 151 F 4.5623 8.3028 121.8561 56.9480 40.3176 174.1020 152 Q 3.9526 7.9817 124.6940 57.4415 30.8451 175.7882 153 G 3.6081 7.0035 109.0060 45.4422 0.0000 172.9505 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 8.25 4.30 0.00 0.63 0.60 0.50 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.64 4.48 0.00 4.04 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 8.79 4.64 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 8.13 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 6 E 8.24 3.93 0.00 2.02 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 0.00 2.23 2.27 0.00 7 W 8.30 4.34 0.00 3.54 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 8.39 4.06 0.00 2.32 2.33 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 2.47 0.00 9 Q 8.23 4.04 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 10 V 8.05 3.69 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 1.19 0.00 0.00 0.87 0.00 0.00 11 L 8.38 4.23 0.00 1.84 1.80 0.93 0.48 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 8.23 4.33 0.00 2.85 3.05 0.00 0.00 7.12 7.25 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 13 V 8.10 3.71 2.37 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 0.80 0.00 0.00 1.20 0.00 0.00 14 W 8.68 4.16 0.00 3.65 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 15 G 7.84 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 16 K 7.83 3.99 0.00 1.65 1.51 0.00 1.49 0.00 0.00 1.11 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.32 7.81 17 V 7.06 2.70 0.68 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 0.04 0.00 0.00 0.26 0.00 0.00 18 E 7.52 3.85 0.00 1.96 1.92 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 2.28 2.03 0.00 19 A 7.31 4.25 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 7.72 4.67 0.00 2.72 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 0.00 0.00 0.00 0.00 21 I 7.98 3.65 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.90 0.00 0.00 22 A 7.44 4.15 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 8.26 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.29 4.15 0.00 3.09 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 8.34 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.27 3.86 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 27 E 8.12 3.86 0.00 1.97 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 2.39 0.00 28 V 7.87 3.50 2.16 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 1.08 0.00 0.00 0.96 0.00 0.00 29 L 7.77 3.40 0.00 1.31 0.71 0.80 0.43 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 30 I 7.70 3.56 1.76 0.00 0.00 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 1.34 0.58 0.86 0.00 0.00 31 R 7.94 3.77 0.00 1.92 2.07 0.00 3.02 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 32 L 7.82 3.92 0.00 1.76 1.45 1.06 0.96 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 33 F 8.14 4.62 0.00 3.00 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 8.10 4.08 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 1.23 0.00 0.00 35 G 7.92 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 36 H 7.98 4.80 0.00 3.07 3.13 0.00 5.64 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 4.49 0.00 2.15 2.10 0.00 3.85 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 2.09 1.99 0.00 38 E 8.29 4.08 0.00 2.30 2.30 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 2.23 2.55 0.00 39 T 8.22 3.91 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 40 L 7.83 3.49 0.00 1.37 1.75 -0.10 1.09 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 41 E 7.79 4.15 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 42 K 8.11 4.47 0.00 1.97 1.78 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.78 2.00 7.81 43 F 8.09 4.62 0.00 3.29 2.92 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 44 D 8.61 4.41 0.00 2.67 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 7.82 4.23 0.00 1.61 1.73 0.00 1.26 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.90 0.21 7.81 46 F 7.95 5.09 0.00 2.83 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 47 K 7.68 3.87 0.00 2.00 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.67 7.81 48 H 8.14 4.33 0.00 3.29 3.44 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.51 4.17 0.00 1.64 1.61 0.84 0.82 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 9.38 4.30 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.51 7.81 51 T 7.53 4.73 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 52 E 8.71 3.92 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 2.36 0.00 53 A 7.91 3.97 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 54 E 8.09 3.95 0.00 2.11 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 0.00 2.36 2.36 0.00 55 M 7.98 4.16 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 56 K 8.23 3.97 0.00 1.82 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.57 7.81 57 A 7.85 4.41 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 4.39 0.00 3.97 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 59 E 8.78 4.06 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 8.18 4.43 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 8.12 3.69 0.00 1.45 1.68 0.70 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.83 3.88 0.00 2.00 1.84 0.00 1.91 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.27 3.87 0.00 1.99 2.14 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 64 H 8.70 4.40 0.00 3.68 3.65 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 8.38 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 66 T 8.17 3.88 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 1.23 0.00 0.00 67 V 7.74 3.72 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 1.06 0.00 0.00 1.00 0.00 0.00 68 V 8.02 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 1.05 0.00 0.00 0.97 0.00 0.00 69 L 8.32 4.29 0.00 1.78 1.88 0.83 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.32 4.00 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 8.10 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 8.01 3.68 0.00 1.61 1.77 0.07 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.44 3.09 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 0.00 0.00 0.00 74 G 7.75 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 75 I 7.58 3.85 1.90 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.62 0.96 0.00 0.00 76 L 7.93 3.97 0.00 1.22 1.52 0.05 0.80 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 7.74 4.01 0.00 1.62 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.45 7.81 78 K 7.81 3.99 0.00 1.85 1.89 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.58 7.81 79 K 8.27 2.00 0.00 1.20 0.74 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.64 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.38 0.71 7.81 80 G 7.91 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 81 H 7.27 4.59 0.00 3.18 3.20 0.00 5.60 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 7.29 5.51 0.00 3.27 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.71 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 3.93 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 2.39 2.47 0.00 84 A 7.91 4.00 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 8.13 4.10 0.00 2.24 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 8.30 4.03 0.00 1.76 1.69 0.70 0.76 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 87 K 8.15 3.82 0.00 2.03 1.83 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 P 0.00 4.25 0.00 2.32 2.31 0.00 3.79 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 2.22 2.07 0.00 89 L 7.93 4.03 0.00 1.95 1.77 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.19 4.10 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 91 Q 8.40 3.92 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 92 S 8.52 4.00 0.00 3.90 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 0.00 93 H 8.68 4.15 0.00 3.48 3.56 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 7.81 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.54 3.92 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 1.11 0.00 0.00 96 K 7.46 4.17 0.00 1.52 1.60 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.32 7.81 97 H 7.90 4.37 0.00 3.03 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 7.43 3.70 0.00 1.94 1.99 0.00 1.86 0.00 0.00 2.40 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.35 7.81 99 I 8.13 4.29 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.97 1.18 0.00 0.00 100 P 0.00 4.65 0.00 1.72 1.71 0.00 2.42 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.72 0.00 101 I 8.51 3.65 1.82 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.09 0.88 0.00 0.00 102 K 8.02 3.60 0.00 1.75 1.64 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 0.51 7.81 103 Y 7.98 4.22 0.00 3.23 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 0.00 104 L 7.90 4.18 0.00 1.84 1.76 1.11 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.15 3.95 0.00 2.00 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 2.40 2.40 0.00 106 F 8.11 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 3.83 2.03 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 1.39 1.11 0.00 0.00 108 S 8.47 4.21 0.00 4.19 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 8.49 4.47 0.00 2.99 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 4.05 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 7.96 3.66 2.11 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 1.57 0.79 0.99 0.00 0.00 112 I 7.70 3.85 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.35 1.14 0.00 0.00 113 H 8.43 4.11 0.00 3.33 3.50 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 3.56 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 7.99 3.82 0.00 1.33 0.49 0.46 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.14 4.34 0.00 3.38 3.36 0.00 5.62 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 0.00 117 S 8.01 4.15 0.00 3.83 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 0.00 118 K 8.12 4.12 0.00 1.57 1.46 0.00 1.43 0.00 0.00 1.21 0.00 0.00 2.56 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.27 1.41 7.81 119 H 7.96 4.97 0.00 3.23 3.19 0.00 5.62 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 0.00 120 P 0.00 4.56 0.00 2.19 2.08 0.00 3.49 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.12 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 0.00 0.00 0.00 122 D 8.44 4.94 0.00 2.62 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 0.00 123 F 8.05 4.95 0.00 2.76 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 0.00 124 G 8.15 3.81 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 0.00 0.00 0.00 125 A 8.42 3.89 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 7.98 4.22 0.00 2.93 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 7.79 3.99 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 0.00 128 Q 7.86 3.62 0.00 1.27 1.80 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 2.27 2.29 0.00 129 G 7.99 3.53 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 0.00 0.00 0.00 130 A 8.00 3.84 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 8.34 4.01 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.80 0.00 132 T 8.22 3.89 4.43 0.00 0.00 0.00 0.00 0.00 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 8.13 3.98 0.00 1.81 1.67 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 7.98 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 8.20 4.07 0.00 1.89 1.81 0.99 0.73 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 8.48 3.99 0.00 2.17 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 2.35 2.45 0.00 137 L 8.08 3.96 0.00 1.90 1.98 0.99 0.98 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 0.00 138 F 8.37 4.15 0.00 3.12 3.24 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 0.00 139 R 8.34 3.58 0.00 2.11 2.05 0.00 3.20 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 140 N 8.73 4.26 0.00 2.84 2.79 0.00 0.00 7.24 8.35 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 0.00 141 D 8.22 4.33 0.00 2.77 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 7.45 3.45 1.46 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.18 0.20 0.00 0.00 143 A 8.07 3.72 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 0.00 144 A 7.92 3.93 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 7.86 4.04 0.00 1.95 1.94 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.62 7.81 146 Y 8.45 4.27 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.50 3.98 0.00 1.85 1.99 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.96 3.97 0.00 2.20 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 0.00 2.37 2.65 0.00 149 L 7.88 4.27 0.00 1.78 1.69 0.83 1.00 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 7.76 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 0.00 151 F 8.30 4.56 0.00 2.70 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 0.00 152 Q 7.98 3.95 0.00 1.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.37 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 153 G 7.00 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