NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3195 8.4444 121.4725 55.6829 31.8896 175.4586 3 S 4.4902 7.5266 111.9225 55.0932 65.6076 172.9009 4 K 4.0430 8.4552 127.4208 59.1107 33.3636 177.9400 5 R 4.1145 7.8333 114.1688 57.3098 29.5989 177.0440 6 N 4.9082 7.9667 115.6972 53.0142 38.8344 174.3423 7 K 4.5206 7.5688 120.2895 54.3067 33.4259 174.6811 8 P 4.7802 0.0000 0.0000 63.2905 32.1505 175.5178 9 G 3.9486 8.3439 107.6754 45.6067 0.0000 172.1655 10 K 5.0572 8.3533 119.5303 54.4381 34.0014 176.7256 11 A 4.6197 8.8097 126.4550 52.4831 19.9344 176.6603 12 T 4.8184 8.9430 111.0523 60.1110 73.1177 173.8326 13 G 4.3123 9.1136 107.0202 45.5327 0.0000 173.3262 14 K 4.1943 9.2315 117.2331 55.3470 33.5511 178.6411 15 G 4.2758 8.3796 107.1593 44.9277 0.0000 172.5242 16 K 4.6581 8.0822 116.0091 53.9580 36.3793 174.1129 17 P 4.8153 0.0000 0.0000 62.3069 31.8013 176.4630 18 V 4.5820 8.0213 114.4458 59.5473 35.9434 175.3821 19 G 4.4955 8.0512 109.9462 44.5301 0.0000 173.5072 20 D 4.5189 8.7559 118.1918 56.8154 41.1962 177.1126 21 K 4.6282 8.0275 117.1744 55.4936 32.1170 177.8861 22 W 4.5614 7.9800 129.3265 61.4599 30.6739 177.8836 23 L 3.4738 7.7955 117.6620 57.1106 40.5869 179.0892 24 D 4.4250 8.0547 118.9462 57.4712 40.8264 178.2160 25 D 4.4603 8.5924 119.2876 56.9054 40.7732 178.3520 26 A 4.4952 7.8360 120.8751 53.9556 18.0667 178.5984 27 G 3.9030 7.7087 105.1074 45.1987 0.0000 173.7297 28 K 4.7328 7.7554 118.9430 55.1946 36.9387 178.3830 29 D 4.2719 8.2235 121.4068 56.2956 40.1255 175.0763 30 S 4.3946 8.9686 123.6679 59.2152 62.6807 174.3277 31 G 3.9336 8.3669 106.9723 44.9162 0.0000 172.7439 32 A 4.7910 8.4919 120.5238 50.0173 20.6006 175.6425 33 P 4.8431 0.0000 0.0000 62.2779 33.1121 176.0000 34 I 4.0679 8.3024 121.3793 60.5019 38.2348 174.3277 35 P 4.5358 0.0000 0.0000 62.3892 32.1042 176.9543 36 D 4.9002 8.6832 124.6228 56.2196 38.7951 179.4043 37 R 3.9516 7.7238 117.9039 59.1268 30.4988 178.6455 38 I 3.7655 7.3905 118.7619 64.1893 37.1623 178.0671 39 A 4.0438 8.0913 121.7328 55.3679 17.9618 179.2045 40 D 4.3111 8.1075 116.5570 57.5835 40.9842 178.9022 41 K 4.2024 7.7686 116.9484 58.0151 32.5724 178.3293 42 L 4.5868 7.6954 117.8723 54.4687 42.5921 176.7251 43 R 4.3390 7.5239 117.9873 58.0689 30.3621 176.7321 44 D 4.6252 9.1827 120.9663 54.3761 39.7357 174.5046 45 K 4.0796 7.8684 119.9032 56.0941 33.3301 175.5077 46 E 4.7146 8.2003 124.6995 54.8712 31.1166 174.9846 47 F 4.9360 8.6908 125.0608 55.6778 42.0615 176.6094 48 K 4.2546 9.1023 121.2010 58.3269 32.7803 177.2754 49 S 5.0686 7.5133 111.1898 57.2107 67.0832 175.7639 50 F 4.2719 9.3969 124.9234 61.4965 39.0392 176.7869 51 D 4.3208 8.3156 117.3599 57.4077 41.0599 177.8528 52 D 4.4603 8.2514 119.2290 57.1518 40.7486 178.3884 53 F 2.7006 8.0813 121.0536 60.6673 39.1589 177.1221 54 R 3.2668 7.7718 118.5183 59.0928 29.8884 178.1869 55 K 4.2556 8.1942 120.4712 59.0045 32.1262 178.5041 56 A 3.9412 7.5962 120.8078 54.8705 18.2683 179.5366 57 V 3.0389 7.0262 116.8950 66.0640 31.4312 178.4697 58 W 4.5274 7.4194 118.0341 59.6100 28.6263 178.5052 59 E 4.1790 8.1913 118.1558 59.5137 29.3004 178.9056 60 E 4.0873 8.3371 118.7116 59.1646 29.4652 179.3798 61 V 3.6563 7.9686 118.6836 66.1729 31.4081 178.2753 62 S 4.2459 8.1178 112.6346 60.9482 62.8391 175.7304 63 K 4.5280 7.6927 119.1503 55.8277 32.5964 176.4862 64 D 4.6970 7.6416 119.6751 51.8406 41.7814 174.3964 65 P 4.4777 0.0000 0.0000 65.2896 30.8958 177.8149 66 E 3.9499 8.1497 117.8657 58.4958 29.6301 177.9216 67 L 4.4398 7.6181 118.2869 56.6083 42.5249 178.6228 68 S 4.3953 8.5424 114.2246 60.4037 62.8479 176.2017 69 K 4.1685 7.7877 121.7970 59.0107 32.3272 177.1024 70 N 4.8697 7.6663 116.5154 52.8246 38.6615 174.3382 71 L 4.7797 7.6308 118.6910 52.6528 44.1870 176.9731 72 N 4.7423 8.4151 120.5586 51.4161 40.0345 174.1296 73 P 4.2415 0.0000 0.0000 66.2618 31.3489 179.0708 74 S 4.1732 7.9688 113.1299 61.6302 62.8660 176.3227 75 N 4.5307 8.1410 118.7148 55.9231 38.3768 177.4039 76 K 3.9956 8.4868 120.6470 59.5902 32.2077 179.3498 77 S 4.1192 8.0837 115.3384 61.5384 62.7519 176.6123 78 S 4.2774 8.0023 115.4021 61.7838 62.1744 176.8230 79 V 4.1679 8.1598 116.1738 63.4534 31.0252 178.6760 80 S 4.1127 7.9529 113.5974 60.8107 62.8435 175.7470 81 K 4.0708 7.2593 118.3719 55.8584 31.9786 177.5675 82 G 3.9934 8.0810 108.5670 45.7802 0.0000 172.8282 83 Y 4.7276 7.4637 117.4028 56.9596 39.4983 175.1222 84 S 2.7900 8.3470 117.4638 57.0472 63.3137 172.1362 85 P 4.5458 0.0000 0.0000 62.5183 32.7702 175.2241 86 F 4.5459 9.5223 120.9235 57.5634 39.5738 175.8702 87 T 4.2102 8.0633 113.6989 59.6983 70.4070 172.8504 88 P 4.4014 0.0000 0.0000 62.0820 32.3176 177.4912 89 K 4.0340 9.1426 122.0419 58.9657 31.9595 178.2455 90 N 4.5427 8.1100 112.9812 54.4829 37.5883 175.0892 91 Q 4.4378 8.2002 117.9997 55.8011 30.0200 175.2924 92 Q 4.4888 7.7994 118.3278 54.9207 30.0500 175.4014 93 V 4.3708 8.1846 120.2728 61.4752 33.4702 176.9707 94 G 3.7127 8.2824 119.7883 46.8171 0.0000 173.7935 95 G 3.6568 8.8753 113.2075 46.0364 0.0000 173.3568 96 R 4.2820 8.0641 120.7587 55.0430 29.4428 176.7171 97 K 4.4784 8.2990 121.1935 55.6520 34.1292 176.3056 98 V 4.4533 6.9928 110.9991 58.8704 34.6425 175.1195 99 Y 4.2344 7.9692 120.0715 58.4285 38.5375 175.7757 100 E 4.9361 9.4943 121.9662 54.5652 33.1677 175.2143 101 L 4.9800 8.7637 123.2751 54.6292 43.0728 175.6642 102 H 4.9970 9.3940 122.6756 54.6895 33.5738 171.6389 103 H 5.0112 8.4171 121.3920 54.4405 29.3703 174.2634 104 D 4.3906 9.0164 124.7966 57.0595 41.2304 176.3949 105 K 4.2709 8.9573 120.9882 54.2268 32.9943 174.1109 106 P 4.3291 0.0000 0.0000 62.9328 32.0255 177.4906 107 I 3.9094 8.5447 122.3506 63.6819 37.3266 178.5945 108 S 4.0968 8.0074 114.1077 61.0109 62.9128 174.7905 109 Q 4.2955 7.9453 117.6450 55.6214 28.4322 176.1283 110 G 3.8970 8.0734 105.9913 45.2008 0.0000 174.6113 111 G 3.7646 7.9174 108.4806 44.4827 0.0000 173.4521 112 E 4.1201 8.4080 121.9634 55.7426 30.2963 177.5522 113 V 3.2525 8.3664 123.5112 65.4186 31.7392 176.2063 114 Y 4.3058 7.7001 114.0292 57.3481 38.8878 174.2873 115 D 5.1850 7.7611 120.8574 53.1243 41.6230 176.7792 116 M 4.2579 9.2397 127.6503 57.7390 32.1839 178.0831 117 D 4.5375 8.5521 117.9291 55.9909 41.2468 176.1934 118 N 4.8702 8.5104 118.0445 53.2244 39.9790 173.6909 119 I 5.0087 7.5084 117.3045 59.9714 39.8145 175.2148 120 R 4.9830 9.1124 123.8059 54.4796 34.7721 174.2783 121 V 4.7743 8.9688 122.2604 62.0928 33.1721 174.9901 122 T 5.3789 9.1361 117.8845 59.9653 72.5328 173.4998 123 T 4.2484 8.5029 113.1510 60.7213 70.3884 173.9355 124 P 4.2147 0.0000 0.0000 65.7148 31.3281 178.7724 125 K 3.8600 7.8811 118.1934 59.7073 32.0711 178.8395 126 R 3.9503 7.8968 118.4137 59.3032 29.9901 177.9606 127 H 4.2001 8.6608 118.7260 59.3021 29.7035 177.1902 128 I 3.6821 7.6510 120.2809 64.6740 37.2532 177.8560 129 D 4.4976 8.1110 119.5575 57.2813 40.3819 178.8464 130 I 3.6590 7.8900 119.8475 64.8024 37.2816 177.8932 131 H 4.2675 7.7513 113.8308 56.9572 28.6538 175.7938 132 R 4.3473 7.7227 124.8011 56.3014 30.4351 175.6283 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 2 E 8.44 4.32 0.00 1.95 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 2.19 2.31 0.00 3 S 7.53 4.49 0.00 3.90 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 4 K 8.46 4.04 0.00 1.79 1.71 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.40 7.81 5 R 7.83 4.11 0.00 1.97 1.96 0.00 2.81 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 6 N 7.97 4.91 0.00 2.93 2.93 0.00 0.00 6.81 7.75 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 7 K 7.57 4.52 0.00 1.71 1.88 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.59 7.81 8 P 0.00 4.78 0.00 1.99 1.98 0.00 3.82 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 2.06 2.30 0.00 9 G 8.34 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.35 5.06 0.00 1.61 1.71 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.34 7.81 11 A 8.81 4.62 1.60 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 12 T 8.94 4.82 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 1.24 0.00 0.00 13 G 9.11 4.31 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 14 K 9.23 4.19 0.00 1.83 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.36 7.81 15 G 8.38 4.28 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 0.00 16 K 8.08 4.66 0.00 1.80 1.65 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.42 7.81 17 P 0.00 4.82 0.00 2.02 1.95 0.00 3.66 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.22 0.00 18 V 8.02 4.58 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 0.60 0.00 0.00 0.43 0.00 0.00 19 G 8.05 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.52 0.00 2.72 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 21 K 8.03 4.63 0.00 1.88 1.87 0.00 2.02 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.42 7.81 22 W 7.98 4.56 0.00 3.39 3.33 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 23 L 7.80 3.47 0.00 1.49 1.01 0.51 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.05 4.42 0.00 2.98 2.75 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 0.00 0.00 0.00 25 D 8.59 4.46 0.00 3.01 2.77 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 0.00 0.00 0.00 26 A 7.84 4.50 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 27 G 7.71 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 0.00 0.00 0.00 28 K 7.76 4.73 0.00 1.93 1.67 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.39 7.81 29 D 8.22 4.27 0.00 2.79 1.86 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 30 S 8.97 4.39 0.00 3.88 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 31 G 8.37 3.93 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 0.00 0.00 0.00 32 A 8.49 4.79 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 33 P 0.00 4.84 0.00 2.14 2.14 0.00 3.98 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 34 I 8.30 4.07 1.92 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 1.60 1.28 0.91 0.00 0.00 35 P 0.00 4.54 0.00 1.73 1.41 0.00 3.34 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.50 0.00 36 D 8.68 4.90 0.00 2.89 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 37 R 7.72 3.95 0.00 1.65 1.95 0.00 3.09 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 38 I 7.39 3.77 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.74 0.00 0.00 39 A 8.09 4.04 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 40 D 8.11 4.31 0.00 2.82 2.75 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 0.00 0.00 0.00 41 K 7.77 4.20 0.00 1.86 1.85 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 42 L 7.70 4.59 0.00 1.82 1.98 0.60 1.04 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 43 R 7.52 4.34 0.00 1.83 1.92 0.00 3.27 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 44 D 9.18 4.63 0.00 2.81 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 45 K 7.87 4.08 0.00 1.78 1.10 0.00 1.76 0.00 0.00 1.49 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.38 7.81 46 E 8.20 4.71 0.00 1.81 1.64 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 2.09 2.32 0.00 47 F 8.69 4.94 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.10 4.25 0.00 1.99 1.94 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.52 7.81 49 S 7.51 5.07 0.00 4.23 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 50 F 9.40 4.27 0.00 3.02 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 51 D 8.32 4.32 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.25 4.46 0.00 3.18 2.96 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 53 F 8.08 2.70 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 54 R 7.77 3.27 0.00 1.60 1.99 0.00 3.24 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 55 K 8.19 4.26 0.00 1.94 2.01 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.42 7.81 56 A 7.60 3.94 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 57 V 7.03 3.04 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 0.13 0.00 0.00 -0.14 0.00 0.00 58 W 7.42 4.53 0.00 3.37 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 59 E 8.19 4.18 0.00 2.09 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 2.37 2.69 0.00 60 E 8.34 4.09 0.00 2.03 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 2.47 2.40 0.00 61 V 7.97 3.66 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 1.38 0.00 0.00 1.23 0.00 0.00 62 S 8.12 4.25 0.00 4.10 4.22 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 63 K 7.69 4.53 0.00 1.78 1.89 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.73 7.81 64 D 7.64 4.70 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.48 0.00 2.30 2.31 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.89 0.00 66 E 8.15 3.95 0.00 1.97 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 2.28 2.35 0.00 67 L 7.62 4.44 0.00 1.72 1.72 0.52 0.42 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 68 S 8.54 4.40 0.00 4.07 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 0.00 69 K 7.79 4.17 0.00 1.91 2.11 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.66 1.51 7.81 70 N 7.67 4.87 0.00 2.80 2.94 0.00 0.00 6.79 9.10 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 71 L 7.63 4.78 0.00 1.87 1.59 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.42 4.74 0.00 2.96 2.99 0.00 0.00 6.21 7.76 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 73 P 0.00 4.24 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 74 S 7.97 4.17 0.00 3.84 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 75 N 8.14 4.53 0.00 2.78 2.91 0.00 0.00 7.14 7.18 0.00 0.00 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 K 8.49 4.00 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.50 1.82 7.81 77 S 8.08 4.12 0.00 4.12 3.93 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 78 S 8.00 4.28 0.00 4.11 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.16 4.17 2.46 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 1.05 0.00 0.00 1.11 0.00 0.00 80 S 7.95 4.11 0.00 4.01 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 81 K 7.26 4.07 0.00 0.79 0.77 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.15 7.81 82 G 8.08 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 0.00 0.00 0.00 83 Y 7.46 4.73 0.00 3.01 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 84 S 8.35 2.79 0.00 3.63 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.55 0.00 2.13 1.98 0.00 2.20 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.41 0.00 86 F 9.52 4.55 0.00 2.85 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 87 T 8.06 4.21 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 -0.14 0.00 0.00 88 P 0.00 4.40 0.00 2.32 2.01 0.00 3.57 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 2.14 2.10 0.00 89 K 9.14 4.03 0.00 1.76 1.81 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.40 7.81 90 N 8.11 4.54 0.00 2.84 2.92 0.00 0.00 5.90 7.39 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 91 Q 8.20 4.44 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 92 Q 7.80 4.49 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 93 V 8.18 4.37 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 0.96 0.00 0.00 0.93 0.00 0.00 94 G 8.28 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 95 G 8.88 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 0.00 0.00 0.00 96 R 8.06 4.28 0.00 2.00 2.00 0.00 3.04 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 97 K 8.30 4.48 0.00 1.82 1.98 0.00 1.73 0.00 0.00 1.97 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.58 1.54 7.81 98 V 6.99 4.45 1.71 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 -0.29 0.00 0.00 0.69 0.00 0.00 99 Y 7.97 4.23 0.00 2.66 2.94 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 0.00 0.00 0.00 100 E 9.49 4.94 0.00 1.88 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 2.42 0.00 101 L 8.76 4.98 0.00 1.91 1.90 0.84 1.03 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 0.00 102 H 9.39 5.00 0.00 2.94 3.19 0.00 5.76 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 0.00 103 H 8.42 5.01 0.00 2.90 3.26 0.00 5.96 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.02 4.39 0.00 2.65 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 0.00 105 K 8.96 4.27 0.00 1.75 1.76 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.38 7.81 106 P 0.00 4.33 0.00 2.19 1.97 0.00 3.64 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 2.28 2.13 0.00 107 I 8.54 3.91 1.69 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 0.86 0.98 0.76 0.00 0.00 108 S 8.01 4.10 0.00 3.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.95 4.30 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.97 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 110 G 8.07 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 0.00 0.00 0.00 111 G 7.92 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 0.00 112 E 8.41 4.12 0.00 1.95 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 2.30 2.24 0.00 113 V 8.37 3.25 1.67 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 0.65 0.00 0.00 114 Y 7.70 4.31 0.00 3.05 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 0.00 115 D 7.76 5.19 0.00 2.69 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 0.00 116 M 9.24 4.26 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.77 0.00 117 D 8.55 4.54 0.00 2.81 2.73 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 0.00 118 N 8.51 4.87 0.00 2.80 2.86 0.00 0.00 6.87 7.27 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 0.00 119 I 7.51 5.01 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 1.12 0.00 0.00 120 R 9.11 4.98 0.00 1.73 1.91 0.00 3.34 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 121 V 8.97 4.77 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 0.98 0.00 0.00 1.02 0.00 0.00 122 T 9.14 5.38 4.24 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 1.18 0.00 0.00 123 T 8.50 4.25 4.22 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 1.16 0.00 0.00 124 P 0.00 4.21 0.00 2.23 2.10 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 125 K 7.88 3.86 0.00 1.91 1.94 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.90 3.95 0.00 2.00 1.91 0.00 3.20 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 127 H 8.66 4.20 0.00 3.34 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.65 3.68 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 0.90 0.00 0.00 129 D 8.11 4.50 0.00 2.94 2.71 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 0.00 130 I 7.89 3.66 1.92 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 1.48 0.56 0.76 0.00 0.00 131 H 7.75 4.27 0.00 3.11 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.72 4.35 0.00 1.93 2.20 0.00 3.59 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00