NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4274 8.3044 118.1950 55.4658 32.5769 174.1653 1 V 4.1532 7.8125 117.8143 61.3710 33.9668 172.1180 2 L 4.2785 8.2600 127.7812 53.9665 43.4851 177.0734 3 S 4.5351 8.7184 117.8770 57.7302 65.5804 174.9820 4 E 4.3222 8.7599 121.1120 59.2214 29.2959 178.6043 5 G 3.6703 8.1095 105.4804 47.8492 0.0000 175.2725 6 E 3.8864 7.9505 120.7506 58.9885 29.4039 179.5054 7 W 4.4265 7.9986 118.8251 59.9087 29.0680 178.6590 8 Q 4.1126 8.3526 118.0747 59.0900 28.0702 178.7594 9 L 4.1115 8.0179 119.9939 57.6712 41.5569 179.8537 10 V 3.7858 7.8797 118.4113 65.8565 31.6208 177.6959 11 L 4.4636 8.5212 117.6929 56.5275 41.6073 178.6280 12 H 4.3127 8.3352 119.4593 59.1073 29.9872 177.3853 13 V 3.6314 7.8169 120.7521 64.0778 31.4078 178.1603 14 W 3.9265 8.4156 129.2797 60.1713 30.2554 177.7349 15 A 3.9841 7.9087 120.1905 54.8565 18.0359 179.5707 16 K 3.9015 7.3332 116.5759 59.4651 32.1378 179.4011 17 V 2.7402 7.0961 118.4385 65.9823 31.0038 177.7879 18 E 3.8371 7.4365 115.5034 58.3626 29.2672 178.6920 19 A 4.2240 7.4268 120.4218 53.7321 19.9158 177.5484 20 D 4.6271 7.8040 116.8401 51.9116 42.4942 175.5201 21 V 3.4540 7.9769 122.9403 65.4874 32.0308 176.8827 22 A 4.2808 7.9993 120.1519 54.7847 18.2596 179.8150 23 G 3.9238 8.3098 105.8646 47.7466 0.0000 175.7746 24 H 4.0325 8.1219 119.0518 58.4881 28.7596 178.1100 25 G 3.6845 8.5527 107.8026 47.8504 0.0000 175.7914 26 Q 3.8889 8.1695 120.1324 58.8397 28.7865 178.2211 27 D 4.3141 7.8337 119.7591 57.5626 40.9157 179.1342 28 I 3.6367 7.6853 119.8925 64.5162 37.0605 178.6509 29 L 3.5456 7.7769 119.6553 57.4539 41.2324 179.6439 30 I 3.7306 7.6975 120.0381 64.1291 36.9421 178.3971 31 R 3.7965 7.8589 119.7520 58.9556 29.8666 178.4374 32 L 3.8909 7.7677 120.2980 58.2696 42.0391 179.0658 33 F 4.7965 8.0655 117.9055 60.2985 38.5290 177.7434 34 K 4.0867 8.1837 117.8108 58.9661 32.0372 179.1294 35 S 4.3981 8.0583 115.0061 60.0035 63.8156 174.0863 36 H 4.5665 8.4594 119.6332 52.3274 29.5761 172.0766 37 P 4.6468 0.0000 0.0000 64.3461 31.4063 177.7769 38 E 4.2486 8.2486 116.6061 59.4510 29.4299 179.1048 39 T 3.8323 8.2935 111.2777 64.3991 68.7774 176.2687 40 L 3.6418 8.0373 123.2976 57.9060 41.7383 178.7027 41 E 4.1143 8.0507 117.6255 58.8967 29.4276 178.8127 42 K 4.4181 8.2427 117.1968 56.9816 32.5684 176.8470 43 F 4.4271 8.0970 119.2281 55.5922 38.4932 176.2893 44 D 4.4381 8.3524 126.4159 56.4429 40.9898 178.2345 45 R 4.0023 7.5112 118.7229 58.1552 30.4541 176.5733 46 F 4.9866 7.0409 112.6485 56.3657 40.7794 176.1965 47 K 3.8529 8.1944 123.6882 59.9189 31.9034 177.2525 48 H 4.3864 8.1933 111.7469 56.9801 28.8528 175.4886 49 L 4.0474 7.2711 121.5482 55.2819 41.7171 176.9506 50 K 4.3046 9.4699 123.4579 57.3097 33.4527 177.0570 51 T 4.7240 7.4414 107.5254 58.9637 73.1154 174.2853 52 E 3.9435 8.6541 120.8484 59.1854 29.5660 178.7178 53 A 3.9768 7.9066 120.7103 55.0500 18.3235 179.2400 54 E 3.9415 7.8408 115.8420 59.7636 29.7972 179.2046 55 M 4.1499 8.0835 118.8483 58.1850 31.7738 178.9211 56 K 3.9416 8.1461 117.9126 59.2204 32.3765 178.5194 57 A 4.3442 7.6492 117.6627 51.5923 18.8744 176.9879 58 S 4.3394 7.5752 114.4616 57.2347 63.2516 174.5814 59 E 3.9697 8.8484 128.6949 59.2597 29.4912 178.1928 60 D 4.4604 8.1219 118.5958 57.4218 40.9597 178.3084 61 L 3.0593 7.6296 120.6041 57.7908 42.0446 178.9726 62 K 3.8722 7.7704 119.1363 59.2229 32.1247 178.9516 63 K 3.9440 8.1049 118.7948 59.7176 31.9797 178.4445 64 H 4.2839 8.3380 118.6180 59.5347 29.7218 176.9996 65 G 3.7592 8.2031 107.3105 48.0953 0.0000 175.6541 66 V 3.6103 7.6402 120.2526 65.9020 31.6048 178.1483 67 T 3.8690 8.0295 115.2482 66.7816 68.3451 176.4898 68 A 4.0776 8.3073 122.9371 55.1021 18.3138 179.7402 69 L 4.1616 8.2279 117.6811 58.1148 41.8293 179.7060 70 T 3.9610 8.2656 115.7046 66.6880 68.2904 176.4720 71 A 4.0161 8.0113 122.5271 55.0640 18.3359 179.4460 72 L 3.7018 8.0599 119.0662 58.1102 42.1128 179.4874 73 G 3.3084 8.5846 105.9260 47.5533 0.0000 175.5311 74 A 4.0872 7.6282 121.7220 54.4585 18.6487 179.5374 75 I 3.8537 7.2209 118.9549 64.3971 37.3344 178.4173 76 L 3.9765 7.7467 119.9109 57.6678 41.1687 179.6842 77 K 3.9670 7.6780 117.1654 58.7447 32.1990 179.1568 78 K 3.9067 7.8665 118.9257 56.6968 31.9061 177.1183 79 K 2.0000 7.8557 117.2266 56.6014 29.4263 176.6402 80 G 4.0601 8.2288 107.7338 45.7253 0.0000 174.8182 81 H 5.2761 7.7847 118.2216 54.1326 27.1619 174.4225 82 H 5.3139 7.0324 112.1708 54.2335 29.8115 176.7381 83 E 3.8607 8.0968 120.4199 59.7892 29.0797 178.8501 84 A 4.0305 7.9428 119.1729 55.5574 17.6957 178.7828 85 E 4.0613 8.2946 116.3071 59.8094 29.5306 179.4473 86 L 4.2151 8.3071 120.1554 58.4371 42.0738 178.0016 87 K 3.8726 8.0228 118.5928 59.3042 31.8709 176.8353 88 P 4.3118 0.0000 0.0000 66.1497 31.2507 178.4437 89 L 4.0077 7.5297 117.0032 58.0129 42.0197 178.7746 90 A 4.1658 8.5478 121.2882 54.9797 18.2351 179.4206 91 Q 3.9022 8.2121 118.4280 59.4883 29.1742 178.6967 92 S 4.0120 8.0929 115.3055 61.8259 62.9437 176.0782 93 H 4.1008 8.5634 119.4358 58.0822 28.2445 177.3720 94 A 2.9814 8.0240 121.9475 53.4711 18.6525 178.3468 95 T 4.1290 7.7391 108.5258 61.4422 68.8456 174.2638 96 K 4.1842 7.5373 119.1781 58.7207 33.5136 176.7417 97 H 4.3089 7.7774 114.2631 56.0821 29.3708 175.0544 98 K 3.1172 7.4981 117.7976 56.6385 28.1280 174.2424 99 I 4.2775 8.0238 118.9282 58.3581 38.4120 174.5511 100 P 4.5642 0.0000 0.0000 62.6560 31.7450 177.5793 101 I 3.7924 9.3556 120.3571 64.1650 36.8295 178.7915 102 K 4.0292 7.7436 121.6988 59.0048 32.0024 178.3345 103 Y 4.1340 8.0269 117.2289 60.9111 37.8747 178.1798 104 L 4.1829 8.0068 119.5919 57.6948 41.3692 179.1279 105 E 4.0122 8.2949 118.6422 59.4508 29.5105 179.2070 106 F 4.5459 7.8654 117.6820 61.0140 38.9560 177.7609 107 I 3.8753 8.2236 117.8482 64.0005 37.6696 178.0327 108 S 4.2039 8.1050 116.2030 61.5860 62.6478 176.2211 109 E 4.0154 8.3770 121.5217 59.1085 29.3868 178.6973 110 A 4.0951 7.9548 120.5555 54.8691 18.4205 179.7283 111 I 3.7445 8.1067 118.8994 64.7019 37.2061 178.7545 112 I 3.8569 8.1491 120.8006 64.3277 36.8133 178.1097 113 H 4.1744 8.4511 119.4336 59.2250 29.7654 177.5813 114 V 3.5201 7.9105 120.0413 66.0407 31.3214 177.9668 115 L 3.9218 7.9021 118.8044 57.8537 41.0035 179.1047 116 H 4.3183 7.8958 117.5309 59.2581 29.9144 177.3271 117 S 4.1690 7.8264 115.9823 61.8005 62.8003 176.6436 118 R 3.9846 8.1273 119.6476 57.9926 31.1979 176.8580 119 H 5.0092 8.2267 114.9919 53.9746 29.2028 173.1763 120 P 4.3565 0.0000 0.0000 65.4184 31.8841 179.2858 121 G 3.7208 8.1064 106.9880 47.3174 0.0000 173.9398 122 N 5.0422 8.3206 115.4464 52.9136 39.3601 174.8310 123 F 4.9174 7.8606 118.8350 56.4977 39.6011 174.4090 124 G 3.8937 7.7233 108.6339 43.7785 0.0000 172.3208 125 A 3.8916 8.4027 120.6937 55.4624 18.2480 179.6129 126 D 4.2079 7.9830 116.5142 57.5064 40.8700 178.8199 127 A 3.9247 7.7429 120.7464 54.9618 18.3323 179.3126 128 Q 3.2655 7.9952 118.8235 58.7571 28.9498 178.5798 129 G 3.4623 8.1075 106.8504 47.4485 0.0000 175.6219 130 A 3.8303 8.0146 123.2654 55.1031 18.4556 179.2905 131 M 3.9632 8.2832 117.0953 58.7958 32.2133 177.8540 132 N 4.2999 8.4415 117.3748 56.5899 39.1100 176.4565 133 K 3.7412 8.1180 120.8129 59.7353 32.1284 178.5019 134 A 3.8430 7.9941 120.7698 55.0356 18.1497 179.6027 135 L 4.1043 7.9972 117.6001 57.7102 41.7315 179.3802 136 E 3.9768 8.5014 118.9942 59.1837 29.3848 178.9725 137 L 3.9212 8.0869 120.3750 58.2482 42.1119 178.5947 138 F 4.1831 8.4619 120.5721 61.5290 39.1645 177.3400 139 R 3.4281 8.3743 117.7187 59.0374 29.9133 178.8100 140 K 3.7950 8.3188 119.7709 59.8196 32.1196 178.5026 141 D 4.3513 8.1934 119.0129 57.2721 40.7026 178.8431 142 I 3.4499 7.6807 120.4963 63.9706 37.0623 178.3024 143 A 3.7136 8.0641 121.9540 54.9495 18.2709 179.5738 144 A 3.9948 7.9895 119.3811 55.0860 18.3689 180.0636 145 K 4.0220 7.9469 117.2552 59.6327 32.0150 179.1134 146 Y 4.4101 8.2292 117.2823 61.1676 37.8785 178.6567 147 K 3.9714 8.1232 120.1196 59.6449 32.0649 178.7314 148 E 4.0467 7.9668 117.5430 59.1936 29.4800 178.7742 149 L 4.2846 7.9723 117.5303 55.6360 41.8674 177.9197 150 G 4.0513 7.9600 107.0146 45.0335 0.0000 172.3792 151 Y 4.6419 7.8900 120.2668 56.4991 40.7798 174.4048 152 Q 2.5200 8.7654 127.6747 56.9470 29.1036 173.5138 153 G 4.2738 8.2977 108.5257 46.0850 0.0000 173.5343 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 0 M 8.30 4.43 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.81 4.15 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 0.79 0.00 0.00 0.95 0.00 0.00 2 L 8.26 4.28 0.00 1.00 0.75 0.55 -0.40 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 8.72 4.54 0.00 4.05 4.01 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 0.00 0.00 0.00 4 E 8.76 4.32 0.00 2.20 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 0.00 2.43 2.51 0.00 5 G 8.11 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.95 3.89 0.00 1.95 1.72 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 2.21 2.27 0.00 7 W 8.00 4.43 0.00 3.53 3.19 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 8 Q 8.35 4.11 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.80 0.00 9 L 8.02 4.11 0.00 1.89 1.75 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 3.79 2.47 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 1.21 0.00 0.00 0.92 0.00 0.00 11 L 8.52 4.46 0.00 1.84 1.80 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.34 4.31 0.00 3.49 3.54 0.00 5.77 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 13 V 7.82 3.63 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 14 W 8.42 3.93 0.00 3.64 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 15 A 7.91 3.98 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 16 K 7.33 3.90 0.00 1.64 1.62 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 V 7.10 2.74 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 0.00 0.00 -0.07 0.00 0.00 0.41 0.00 0.00 18 E 7.44 3.84 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 2.19 2.05 0.00 19 A 7.43 4.22 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 7.80 4.63 0.00 2.70 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 V 7.98 3.45 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 0.88 0.00 0.00 0.86 0.00 0.00 22 A 8.00 4.28 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 8.31 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 0.00 0.00 0.00 24 H 8.12 4.03 0.00 3.31 3.27 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 8.55 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 26 Q 8.17 3.89 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 27 D 7.83 4.31 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.69 3.64 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.91 0.90 0.00 0.00 29 L 7.78 3.55 0.00 1.52 1.10 0.89 0.55 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 30 I 7.70 3.73 1.88 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 1.41 0.70 0.89 0.00 0.00 31 R 7.86 3.80 0.00 1.90 2.14 0.00 3.01 0.00 0.00 2.97 7.58 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 7.77 3.89 0.00 1.71 1.42 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.07 4.80 0.00 3.02 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 34 K 8.18 4.09 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.79 7.81 35 S 8.06 4.40 0.00 3.76 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 36 H 8.46 4.57 0.00 2.86 2.95 0.00 5.62 0.00 0.00 0.00 0.00 6.72 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 4.65 0.00 2.15 2.09 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 38 E 8.25 4.25 0.00 2.29 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 2.30 2.50 0.00 39 T 8.29 3.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 40 L 8.04 3.64 0.00 1.41 1.75 0.16 0.76 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 8.05 4.11 0.00 2.27 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 2.39 0.00 42 K 8.24 4.42 0.00 1.89 1.70 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.96 7.81 43 F 8.10 4.43 0.00 3.11 2.38 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 44 D 8.35 4.44 0.00 2.57 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 45 R 7.51 4.00 0.00 1.39 0.79 0.00 3.20 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 46 F 7.04 4.99 0.00 2.87 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 47 K 8.19 3.85 0.00 1.98 1.91 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.44 7.81 48 H 8.19 4.39 0.00 3.33 3.47 0.00 5.59 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 7.27 4.05 0.00 1.55 1.58 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.47 4.30 0.00 1.67 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.53 7.81 51 T 7.44 4.72 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 8.65 3.94 0.00 2.04 1.98 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 2.36 2.36 0.00 53 A 7.91 3.98 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 7.84 3.94 0.00 2.10 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 2.34 2.34 0.00 55 M 8.08 4.15 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 56 K 8.15 3.94 0.00 1.91 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.65 4.34 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 58 S 7.58 4.34 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.85 3.97 0.00 2.13 1.94 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 2.39 2.46 0.00 60 D 8.12 4.46 0.00 2.94 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 61 L 7.63 3.06 0.00 1.00 1.51 0.78 0.28 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 62 K 7.77 3.87 0.00 1.79 1.88 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.10 3.94 0.00 2.12 1.92 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.52 7.81 64 H 8.34 4.28 0.00 3.61 3.62 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 65 G 8.20 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.64 3.61 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 1.11 0.00 0.00 0.96 0.00 0.00 67 T 8.03 3.87 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 1.29 0.00 0.00 68 A 8.31 4.08 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 69 L 8.23 4.16 0.00 1.78 1.92 0.95 0.77 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 70 T 8.27 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 8.01 4.02 1.39 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 0.00 0.00 0.00 72 L 8.06 3.70 0.00 1.62 1.76 0.27 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.58 3.31 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 0.00 74 A 7.63 4.09 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 7.22 3.85 1.81 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.84 0.00 0.00 76 L 7.75 3.98 0.00 1.39 1.57 -0.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.97 0.00 1.66 1.80 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.47 7.81 78 K 7.87 3.91 0.00 1.89 1.77 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.85 7.81 79 K 7.86 2.00 0.00 1.37 0.74 0.00 1.44 0.00 0.00 1.42 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.79 7.81 80 G 8.23 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 0.00 0.00 0.00 81 H 7.78 5.28 0.00 3.14 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.03 5.31 0.00 3.29 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.10 3.86 0.00 2.10 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 2.42 2.51 0.00 84 A 7.94 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 8.29 4.06 0.00 2.26 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 2.41 2.46 0.00 86 L 8.31 4.22 0.00 2.07 1.68 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.02 3.87 0.00 1.99 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.63 7.81 88 P 0.00 4.31 0.00 2.30 2.35 0.00 3.73 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 2.11 2.06 0.00 89 L 7.53 4.01 0.00 1.82 1.91 0.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.55 4.17 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 91 Q 8.21 3.90 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 92 S 8.09 4.01 0.00 4.00 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 0.00 93 H 8.56 4.10 0.00 3.61 3.62 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 8.02 2.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.74 4.13 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 1.15 0.00 0.00 96 K 7.54 4.18 0.00 1.58 1.67 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.00 1.28 7.81 97 H 7.78 4.31 0.00 3.01 3.17 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.50 3.12 0.00 1.75 1.76 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.10 7.81 99 I 8.02 4.28 2.11 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.97 1.14 0.00 0.00 100 P 0.00 4.56 0.00 1.94 1.97 0.00 3.17 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 0.63 1.35 0.00 101 I 9.36 3.79 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.84 0.88 0.00 0.00 102 K 7.74 4.03 0.00 1.72 1.63 0.00 1.38 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 0.45 7.81 103 Y 8.03 4.13 0.00 3.17 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 0.00 104 L 8.01 4.18 0.00 1.83 1.81 0.76 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.29 4.01 0.00 2.10 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 2.34 2.33 0.00 106 F 7.87 4.55 0.00 3.21 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 0.00 107 I 8.22 3.88 2.03 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 1.60 1.67 1.10 0.00 0.00 108 S 8.10 4.20 0.00 4.24 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 E 8.38 4.02 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 2.38 2.41 0.00 110 A 7.95 4.10 1.43 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 0.00 0.00 0.00 111 I 8.11 3.74 2.11 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 1.63 0.68 1.04 0.00 0.00 112 I 8.15 3.86 2.07 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 1.70 0.82 1.12 0.00 0.00 113 H 8.45 4.17 0.00 3.40 3.47 0.00 5.78 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 7.91 3.52 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 0.87 0.00 0.00 1.00 0.00 0.00 115 L 7.90 3.92 0.00 0.54 0.63 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.90 4.32 0.00 3.47 3.63 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 7.83 4.17 0.00 3.89 3.83 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 0.00 118 R 8.13 3.98 0.00 1.56 1.56 0.00 2.88 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 119 H 8.23 5.01 0.00 3.19 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.77 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 4.36 0.00 2.20 2.25 0.00 3.66 0.00 0.00 3.79 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 8.11 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 0.00 122 N 8.32 5.04 0.00 2.80 2.93 0.00 0.00 6.67 6.99 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 0.00 123 F 7.86 4.92 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.72 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 0.00 125 A 8.40 3.89 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 0.00 126 D 7.98 4.21 0.00 2.65 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 0.00 127 A 7.74 3.92 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 0.00 128 Q 8.00 3.27 0.00 1.15 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 129 G 8.11 3.46 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 0.00 130 A 8.01 3.83 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 0.00 131 M 8.28 3.96 0.00 2.36 2.38 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.92 0.00 132 N 8.44 4.30 0.00 2.93 2.98 0.00 0.00 6.85 8.04 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 0.00 133 K 8.12 3.74 0.00 1.97 1.59 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81 134 A 7.99 3.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.00 4.10 0.00 1.79 1.83 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.50 3.98 0.00 2.16 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 2.65 0.00 137 L 8.09 3.92 0.00 1.88 1.98 1.03 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 8.46 4.18 0.00 3.05 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.37 3.43 0.00 2.07 1.85 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 140 K 8.32 3.80 0.00 1.74 2.00 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 141 D 8.19 4.35 0.00 2.88 2.69 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 0.00 0.00 0.00 0.00 142 I 7.68 3.45 1.24 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.33 -0.02 0.00 0.00 143 A 8.06 3.71 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 7.99 3.99 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 0.00 145 K 7.95 4.02 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.61 7.81 146 Y 8.23 4.41 0.00 3.16 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 0.00 147 K 8.12 3.97 0.00 2.02 1.92 0.00 1.64 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 1.44 1.48 7.81 148 E 7.97 4.05 0.00 2.22 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 2.36 2.50 0.00 149 L 7.97 4.28 0.00 1.85 1.74 1.00 0.90 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 0.00 150 G 7.96 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 0.00 151 Y 7.89 4.64 0.00 2.49 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.77 2.52 0.00 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 153 G 8.30 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 0.00 0.00 0.00 0.00