NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5135 8.3044 120.6240 55.0833 33.4595 174.5713 2 N 4.5202 8.5480 120.9577 53.0297 39.2973 171.7524 3 I 4.9756 8.3127 121.6365 59.3932 42.3861 173.1660 4 V 4.8087 9.0199 128.2646 61.1487 34.8639 174.1702 5 I 5.0516 8.6159 126.6569 59.6113 40.5766 174.4035 6 V 4.6534 9.1242 128.1510 61.2530 33.4812 174.4491 7 V 4.6465 8.4345 128.9192 61.2920 32.9086 176.0225 8 F 4.5876 9.3204 126.7902 58.3863 38.3902 176.2807 9 S 4.4155 8.1600 116.4161 58.0010 62.1147 174.8270 10 T 3.8161 8.3724 116.1632 63.1090 69.4028 175.1012 11 D 4.5095 7.5081 124.5073 53.7188 41.9134 176.5688 12 E 3.9690 8.7921 125.3140 59.2715 29.5115 178.3704 13 E 3.9393 8.1674 117.2752 59.9179 29.4766 179.1688 14 T 3.9078 7.7090 114.8185 66.5987 68.5539 176.3976 15 L 3.5024 7.2390 120.7095 57.6937 41.9458 178.8501 16 R 3.8698 8.3234 119.3245 59.3727 30.0091 178.4782 17 K 3.9971 7.7219 116.7995 59.5746 32.0865 179.1541 18 F 4.0554 8.5264 117.3181 60.7100 38.8780 177.7115 19 K 4.0713 8.3814 118.0736 59.4464 31.8277 178.9808 20 D 4.3391 8.3694 118.2981 57.5479 41.0117 178.3914 21 I 3.7920 7.7597 118.9483 64.4006 37.3593 178.2083 22 I 3.9054 8.0024 120.9850 64.3863 36.9890 178.6415 23 K 4.3262 8.2693 120.8591 59.2105 32.0601 178.6745 24 K 3.8328 7.9729 120.3774 59.6628 32.1449 177.6391 25 N 4.7387 8.1467 113.6431 53.7343 38.8285 176.0152 26 G 3.8604 8.2207 109.1886 44.9668 0.0000 173.3903 27 F 4.6632 7.9955 117.8531 56.2453 41.1558 175.5005 28 K 4.5561 9.0153 121.2041 55.9755 33.8347 176.0127 29 V 4.9886 8.2479 120.6387 61.2722 35.0369 174.9651 30 R 4.5606 8.7191 126.0392 54.7952 33.0358 174.3017 31 T 4.8647 8.5729 118.3566 60.7152 69.5979 174.5386 32 V 4.0965 8.8490 128.7827 62.4882 32.4122 176.5430 33 R 4.8515 8.8485 121.5038 55.8060 31.1343 175.2091 34 S 4.5178 7.7946 114.1102 55.2405 67.3164 172.7962 35 P 4.4374 0.0000 0.0000 66.6380 30.7826 178.6015 36 Q 3.9194 8.0537 118.6169 58.6172 28.7597 177.7751 37 E 4.2718 7.9689 118.9045 58.5385 29.5748 178.7462 38 L 4.0795 7.6645 120.8224 57.7524 42.3487 178.4461 39 K 3.6368 7.4517 118.9960 59.6083 32.0496 177.8649 40 D 4.3502 8.5900 118.4633 57.3158 40.9092 178.2328 41 S 4.1141 7.9158 113.4773 61.5022 62.3650 176.2937 42 I 3.8047 7.8130 121.9852 64.4312 36.7264 177.9430 43 E 4.0187 8.2219 118.5918 59.4474 29.5344 179.1740 44 E 4.1708 8.1832 118.5311 59.4118 28.2907 179.0708 45 L 4.4876 8.5298 120.8709 57.2658 41.4603 180.0108 46 V 3.8954 8.0085 118.0510 63.9116 31.3303 178.1115 47 K 4.4586 7.2616 116.5720 56.5954 32.4799 177.0948 48 K 4.2476 8.3995 119.2539 55.2172 34.8373 174.7652 49 Y 4.5070 7.7189 123.0569 55.2086 37.5616 174.1241 50 N 4.9475 8.2266 123.2164 51.1610 42.0434 174.3312 51 A 4.4257 8.3887 123.5318 52.8521 18.0443 175.4908 52 T 4.8965 8.2341 115.5051 62.2862 72.0632 173.6926 53 I 4.1909 9.1117 129.5992 60.6450 38.6821 175.6259 54 V 4.3480 8.0192 125.7560 60.7778 33.0912 175.3245 55 V 4.6446 8.8595 127.3072 61.0353 33.0512 174.9894 56 V 4.1057 8.7603 130.6830 62.1148 32.2490 175.0862 57 V 4.3370 8.2414 129.7220 62.2013 31.9314 175.5592 58 V 4.8643 8.7035 122.0553 59.7846 34.1244 176.4575 59 D 4.5696 9.1569 122.5817 54.3397 40.9335 176.3224 60 D 5.0196 7.6491 118.2048 50.4078 44.0887 176.2115 61 K 3.9788 8.5865 118.9339 59.8284 32.5510 179.0425 62 E 4.3279 8.2684 121.0547 58.2377 29.3896 178.5338 63 W 4.5164 8.7448 128.3848 60.4323 30.8245 177.8366 64 A 3.4447 7.6033 120.4410 54.8622 17.1381 179.2997 65 E 4.1549 8.2036 117.0566 59.7577 29.4946 179.4605 66 K 3.9362 8.4106 118.5227 59.7042 32.1137 179.0439 67 A 3.8138 7.2547 120.3269 55.3631 18.2626 179.8831 68 I 3.5163 7.6063 117.8333 64.4259 36.8460 178.9734 69 R 3.9959 8.4346 118.8230 58.8306 30.1430 178.5938 70 F 4.2782 8.0059 120.7547 61.2931 39.5132 177.4058 71 V 3.4693 8.0305 118.0801 65.9183 30.9185 177.6794 72 K 4.3083 8.4288 119.6483 59.8656 31.7441 178.6101 73 S 3.9330 7.7871 112.2947 60.8350 62.3661 175.7910 74 L 4.0093 7.6649 122.3461 55.9631 41.1189 178.1976 75 G 4.0022 7.8690 106.0497 45.4008 0.0000 173.8892 76 A 4.1230 7.3097 121.2409 51.9511 18.9141 176.5819 77 Q 4.5187 8.4131 118.3190 55.5073 29.4022 175.6813 78 V 4.6646 8.4844 116.4823 59.2626 36.0868 175.1549 79 L 4.5540 8.1345 123.7090 54.4822 43.2989 176.0015 80 I 5.0250 8.4098 123.6283 59.7024 40.1124 174.5780 81 I 4.8984 8.8322 129.6304 60.3772 38.6557 175.2115 82 I 5.3037 9.0379 128.1424 59.6431 40.7485 173.9162 83 Y 5.2218 9.1150 126.9107 54.9949 41.2601 173.7429 84 D 4.8106 7.9260 124.3464 53.2839 44.0757 174.9981 85 Q 3.9972 8.5883 121.3099 56.6940 29.5261 176.1090 86 D 4.7783 8.2052 119.3145 52.0493 43.2027 176.3153 87 Q 3.9985 8.6452 124.8039 59.0562 27.3099 178.3350 88 N 4.2040 8.1831 117.4138 56.8998 38.8075 176.5597 89 R 3.8544 7.6147 118.5820 58.4645 30.5738 177.9583 90 L 3.7260 8.0753 120.2533 58.6613 41.8628 179.1119 91 E 3.9918 8.1268 117.6225 58.9171 29.8068 177.8762 92 E 4.1518 7.7033 117.4818 58.8237 29.9116 178.2922 93 F 4.3373 8.7907 121.3087 61.2230 39.3388 176.8387 94 S 3.9952 8.1980 112.9982 61.2388 61.9151 176.0589 95 R 3.8437 7.6487 120.9261 59.5470 29.8563 178.1550 96 E 3.8753 7.9741 117.4444 59.4690 29.4378 179.2096 97 V 3.5201 7.1279 117.6632 66.1309 31.5266 178.0694 98 R 4.4828 8.1588 119.8551 59.0858 29.7584 178.4439 99 R 3.9496 8.0575 117.4854 59.0791 30.0182 177.6305 100 R 4.3554 7.5248 115.7178 55.9611 30.2027 177.1599 101 G 3.5896 7.9641 107.2393 44.7490 0.0000 173.2650 102 F 4.7960 7.5516 119.2072 55.3800 41.3396 175.0156 103 E 4.1893 8.9798 124.2017 56.4538 29.7151 175.9577 104 V 4.6358 8.2538 124.6125 60.5595 33.3895 175.6306 105 R 4.7697 9.1785 123.5528 54.6229 32.6944 174.7041 106 T 5.0482 8.6128 114.5774 60.4299 70.5400 174.5151 107 V 4.6935 8.9054 118.3852 59.9901 34.8206 176.5109 108 T 4.0612 8.8667 113.6018 62.3582 70.4386 175.3531 109 S 5.0885 7.8039 116.6062 54.9546 68.2289 172.7311 110 P 4.2914 0.0000 0.0000 66.5937 30.7752 178.5120 111 D 4.4275 8.1474 118.0853 57.0927 40.7963 178.2825 112 D 4.3592 8.1509 118.9982 57.2345 40.8613 178.4278 113 F 4.1432 8.4313 122.6184 60.4425 39.4010 176.8322 114 K 3.6033 8.4349 119.6582 59.5214 31.9538 178.8048 115 K 3.8829 8.1452 118.7491 59.4654 31.8784 179.5314 116 S 4.0250 7.9883 114.5301 61.2557 62.7462 176.2027 117 L 3.6336 7.7643 124.3255 57.7978 41.9247 178.5223 118 E 3.8874 7.7577 118.2953 59.7819 29.4229 179.6674 119 R 3.9644 7.8590 117.6662 59.1459 30.1840 178.8229 120 L 3.9251 8.1689 118.8530 58.1122 41.7308 179.6380 121 I 3.5988 7.9445 119.8156 64.7853 36.8523 178.7197 122 R 4.0813 7.4445 116.0053 58.7322 29.8977 178.7516 123 E 4.1628 7.7747 118.1522 59.3158 29.8644 179.2518 124 V 4.0446 8.1921 118.3068 62.8968 31.6624 174.3123 125 G 3.4419 7.1659 105.5879 44.3015 0.0000 173.6958 126 S 4.9631 8.3686 122.6020 56.4469 64.8674 174.2012 127 L 3.7414 8.3151 119.5695 58.2114 39.1208 176.7649 128 E 4.0072 7.9221 120.7533 55.4851 28.3816 176.5957 129 H 4.2036 8.4046 124.2485 56.8321 28.5314 174.3322 130 H 4.0994 6.9229 116.6577 56.8704 27.8832 174.4778 131 H 4.2953 7.9773 127.6416 56.4867 27.7265 174.4062 132 H 5.1109 8.0949 120.6511 54.2319 30.7336 174.8162 133 H 4.4254 8.8682 118.3528 58.4541 29.2656 175.0357 134 H 4.4465 8.2904 122.5848 56.3269 29.7391 174.5383 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 M 8.30 4.51 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 2 N 8.55 4.52 0.00 3.02 2.70 0.00 0.00 6.30 6.97 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 3 I 8.31 4.98 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 1.23 1.39 0.79 0.00 0.00 4 V 9.02 4.81 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 1.10 0.00 0.00 0.90 0.00 0.00 5 I 8.62 5.05 1.98 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 1.16 0.00 0.00 6 V 9.12 4.65 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 0.87 0.00 0.00 0.94 0.00 0.00 7 V 8.43 4.65 1.88 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 0.74 0.00 0.00 0.58 0.00 0.00 8 F 9.32 4.59 0.00 3.10 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 9 S 8.16 4.42 0.00 3.74 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 10 T 8.37 3.82 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 1.22 0.00 0.00 11 D 7.51 4.51 0.00 2.89 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.79 3.97 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 2.34 2.33 0.00 13 E 8.17 3.94 0.00 1.96 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 2.31 2.41 0.00 14 T 7.71 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 15 L 7.24 3.50 0.00 1.55 1.69 0.70 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.32 3.87 0.00 2.13 2.14 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 17 K 7.72 4.00 0.00 2.27 1.96 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.59 7.81 18 F 8.53 4.06 0.00 3.02 2.88 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 19 K 8.38 4.07 0.00 1.97 1.91 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.68 7.81 20 D 8.37 4.34 0.00 2.96 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 21 I 7.76 3.79 2.01 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 1.56 0.98 0.83 0.00 0.00 22 I 8.00 3.91 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.38 1.07 0.00 0.00 23 K 8.27 4.33 0.00 2.04 2.14 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.82 1.39 7.81 24 K 7.97 3.83 0.00 2.02 2.17 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.52 7.81 25 N 8.15 4.74 0.00 3.28 3.23 0.00 0.00 7.62 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.22 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 27 F 8.00 4.66 0.00 3.07 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 28 K 9.02 4.56 0.00 1.86 1.77 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 29 V 8.25 4.99 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 0.91 0.00 0.00 1.01 0.00 0.00 30 R 8.72 4.56 0.00 1.93 1.75 0.00 3.16 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 31 T 8.57 4.86 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 32 V 8.85 4.10 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 1.17 0.00 0.00 0.97 0.00 0.00 33 R 8.85 4.85 0.00 1.89 1.98 0.00 3.25 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 34 S 7.79 4.52 0.00 3.83 3.66 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 35 P 0.00 4.44 0.00 2.28 2.52 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 36 Q 8.05 3.92 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 37 E 7.97 4.27 0.00 2.29 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 2.35 2.47 0.00 38 L 7.66 4.08 0.00 1.67 1.56 0.91 0.28 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 39 K 7.45 3.64 0.00 1.17 1.58 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.68 7.81 40 D 8.59 4.35 0.00 2.88 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 41 S 7.92 4.11 0.00 3.93 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 42 I 7.81 3.80 2.22 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 1.84 0.40 1.00 0.00 0.00 43 E 8.22 4.02 0.00 2.16 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 2.56 2.54 0.00 44 E 8.18 4.17 0.00 2.24 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 2.50 2.51 0.00 45 L 8.53 4.49 0.00 1.88 1.83 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.01 3.90 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 0.83 0.00 0.00 0.97 0.00 0.00 47 K 7.26 4.46 0.00 1.88 1.91 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.60 7.81 48 K 8.40 4.25 0.00 1.71 1.80 0.00 1.26 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.36 7.81 49 Y 7.72 4.51 0.00 3.13 3.05 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 50 N 8.23 4.95 0.00 2.62 2.72 0.00 0.00 7.20 7.95 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 51 A 8.39 4.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.23 4.90 4.32 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 1.27 0.00 0.00 53 I 9.11 4.19 1.90 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 1.00 0.00 0.00 54 V 8.02 4.35 2.11 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 0.70 0.00 0.00 0.97 0.00 0.00 55 V 8.86 4.64 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 0.95 0.00 0.00 1.00 0.00 0.00 56 V 8.76 4.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.81 0.00 0.00 57 V 8.24 4.34 2.10 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 0.76 0.00 0.00 0.87 0.00 0.00 58 V 8.70 4.86 1.82 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 0.05 0.00 0.00 -0.25 0.00 0.00 59 D 9.16 4.57 0.00 2.78 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 60 D 7.65 5.02 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.59 3.98 0.00 1.98 2.19 0.00 1.43 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.64 7.81 62 E 8.27 4.33 0.00 2.30 2.11 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 2.69 2.27 0.00 63 W 8.74 4.52 0.00 3.26 3.13 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 0.00 0.00 0.00 64 A 7.60 3.44 0.62 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 65 E 8.20 4.15 0.00 2.38 2.15 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 2.74 2.87 0.00 66 K 8.41 3.94 0.00 2.03 2.10 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.89 2.02 7.81 67 A 7.25 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.61 3.52 2.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.97 0.82 0.00 0.00 69 R 8.43 4.00 0.00 1.98 2.07 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 70 F 8.01 4.28 0.00 3.08 3.20 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 0.00 0.00 0.00 0.00 71 V 8.03 3.47 1.65 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 0.40 0.00 0.00 0.95 0.00 0.00 72 K 8.43 4.31 0.00 2.20 2.11 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.55 7.81 73 S 7.79 3.93 0.00 3.81 3.69 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 74 L 7.66 4.01 0.00 1.88 1.65 0.93 0.50 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 75 G 7.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.31 4.12 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 77 Q 8.41 4.52 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 78 V 8.48 4.66 2.11 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 0.75 0.00 0.00 0.98 0.00 0.00 79 L 8.13 4.55 0.00 1.45 1.60 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.41 5.02 1.89 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.93 0.00 0.00 81 I 8.83 4.90 2.13 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 1.30 0.67 1.31 0.00 0.00 82 I 9.04 5.30 2.07 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 1.38 0.00 0.00 83 Y 9.11 5.22 0.00 3.24 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 84 D 7.93 4.81 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.59 4.00 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 86 D 8.21 4.78 0.00 2.65 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 0.00 0.00 0.00 0.00 87 Q 8.65 4.00 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 88 N 8.18 4.20 0.00 2.72 2.79 0.00 0.00 7.20 7.64 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 89 R 7.61 3.85 0.00 1.94 1.69 0.00 3.21 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 90 L 8.08 3.73 0.00 1.54 1.64 0.98 0.96 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 91 E 8.13 3.99 0.00 2.09 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 2.32 2.45 0.00 92 E 7.70 4.15 0.00 2.22 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 2.32 2.40 0.00 93 F 8.79 4.34 0.00 3.11 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 94 S 8.20 4.00 0.00 4.04 4.03 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 95 R 7.65 3.84 0.00 2.03 1.96 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 96 E 7.97 3.88 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 97 V 7.13 3.52 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 1.04 0.00 0.00 0.36 0.00 0.00 98 R 8.16 4.48 0.00 1.96 2.05 0.00 3.19 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 99 R 8.06 3.95 0.00 1.85 2.13 0.00 3.29 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 100 R 7.52 4.36 0.00 2.18 2.05 0.00 3.26 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 101 G 7.96 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 7.55 4.80 0.00 3.05 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 0.00 103 E 8.98 4.19 0.00 1.96 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 2.40 2.31 0.00 104 V 8.25 4.64 2.10 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 0.72 0.00 0.00 1.04 0.00 0.00 105 R 9.18 4.77 0.00 1.73 1.89 0.00 3.28 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 106 T 8.61 5.05 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 107 V 8.91 4.69 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 0.90 0.00 0.00 1.44 0.00 0.00 108 T 8.87 4.06 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 1.19 0.00 0.00 109 S 7.80 5.09 0.00 4.20 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 0.00 110 P 0.00 4.29 0.00 2.33 2.42 0.00 3.85 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 111 D 8.15 4.43 0.00 2.83 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 0.00 112 D 8.15 4.36 0.00 3.04 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 0.00 113 F 8.43 4.14 0.00 2.88 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 0.00 114 K 8.43 3.60 0.00 1.91 1.92 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 115 K 8.15 3.88 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.65 7.81 116 S 7.99 4.03 0.00 3.98 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 0.00 117 L 7.76 3.63 0.00 0.68 1.14 0.66 0.64 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 0.00 118 E 7.76 3.89 0.00 2.15 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 2.45 2.46 0.00 119 R 7.86 3.96 0.00 1.97 2.06 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 120 L 8.17 3.93 0.00 1.56 1.67 0.88 0.79 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 0.00 121 I 7.94 3.60 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 1.05 0.00 0.00 122 R 7.44 4.08 0.00 1.99 2.00 0.00 3.15 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 123 E 7.77 4.16 0.00 2.08 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 2.32 2.55 0.00 124 V 8.19 4.04 2.08 0.00 0.00 0.00 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 1.01 0.00 0.00 125 G 7.17 3.44 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 0.00 126 S 8.37 4.96 0.00 4.21 4.19 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 0.00 127 L 8.32 3.74 0.00 1.44 1.06 0.63 0.32 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 0.00 128 E 7.92 4.01 0.00 1.94 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.12 0.00 129 H 8.40 4.20 0.00 3.16 3.26 0.00 5.89 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 0.00 130 H 6.92 4.10 0.00 3.46 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.98 4.30 0.00 3.23 3.41 0.00 5.68 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 0.00 132 H 8.09 5.11 0.00 3.29 3.37 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.87 4.43 0.00 3.18 3.44 0.00 5.71 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 0.00 134 H 8.29 4.45 0.00 3.11 3.23 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00