NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 K 4.0548 8.3144 120.1023 56.5342 32.2590 174.9641 16 T 3.9724 8.0117 112.7323 61.6548 67.5377 173.3106 17 W 3.5500 7.8247 119.0376 57.6872 27.6549 173.3055 18 E 4.1519 7.5237 115.9925 56.1132 29.6377 175.9103 19 L 4.7482 8.2779 125.8227 53.4917 43.3396 177.3899 20 S 4.4757 9.2266 118.7123 57.7336 65.0078 175.3638 21 L 3.9867 8.4901 122.4717 58.3316 41.6479 178.9990 22 Y 4.2008 8.0021 118.5940 60.8178 38.8150 177.6957 23 E 3.7962 8.4881 119.6029 59.4029 29.3822 179.3268 24 L 4.1471 8.2707 118.2839 56.5510 41.6664 177.7804 25 Q 4.4936 7.3571 114.2791 55.0707 29.3854 175.9250 26 R 3.7147 7.2866 115.2762 56.5398 29.8297 175.6217 27 T 4.6619 7.8080 108.2402 58.7057 71.8432 171.8992 28 P 4.2894 0.0000 0.0000 62.7855 31.7605 177.0275 29 Q 4.3447 8.3208 120.4441 54.5162 27.9913 175.8796 30 E 4.1282 8.4175 122.2894 55.5881 30.2998 177.3816 31 A 4.1192 8.2721 124.0681 52.3044 19.0998 177.2934 32 I 4.2168 8.1515 121.8091 60.6097 37.7531 176.0985 33 T 4.4606 8.3247 114.1089 61.2454 69.6390 173.8785 34 D 4.6180 7.7863 122.9820 54.0050 41.6760 176.7112 35 G 3.9122 8.4569 106.2589 45.8277 0.0000 173.2430 36 L 3.7528 7.3438 121.4721 55.5416 42.0532 176.9650 37 E 4.4689 8.5346 125.0855 55.4345 30.9138 175.5876 38 I 4.5161 7.9766 120.5744 59.7369 40.1039 175.9743 39 V 4.4418 7.9382 118.2916 59.6799 34.2499 174.7961 *44 S 4.5181 8.5141 112.9631 58.5824 64.7065 174.4546 45 L 5.0081 7.9195 118.0070 53.7602 42.2295 177.9300 46 H 4.2234 8.4946 116.9611 59.0055 28.6217 177.7249 47 S 4.2408 7.9956 110.2245 58.2696 62.2442 174.1071 48 E 4.5436 8.5706 120.7401 57.7663 32.2243 177.1158 49 L 4.7584 8.2631 116.1283 54.5634 42.1787 175.1316 50 M 4.7488 7.6775 119.2311 53.6160 33.6232 175.0294 51 C 4.2600 9.2734 127.6433 58.7342 32.0587 172.4927 52 P 4.4550 0.0000 0.0000 64.9304 31.1893 177.4984 53 I 3.9892 7.6407 120.3711 63.9351 37.5667 176.4197 54 C 4.3015 8.0045 113.0187 57.9368 30.2940 174.0281 55 L 3.8045 7.7609 118.8380 55.7228 39.6846 173.4416 56 D 4.8197 7.3987 119.0776 52.5877 43.8854 174.8828 57 M 4.6133 8.3258 120.4978 54.9115 32.9232 175.7986 58 L 4.1668 8.7099 126.2647 55.3600 42.6835 176.5527 59 K 4.4372 8.5599 123.7159 55.4527 35.6993 174.9924 60 N 4.9498 8.6821 120.5658 53.2177 36.0039 173.3589 61 T 4.4971 9.2028 116.2785 64.3267 70.2799 174.4238 62 M 5.2259 9.6924 125.9178 53.8455 35.6799 174.9150 63 T 5.2120 8.8354 118.7795 61.5789 72.6399 173.6246 64 T 4.3708 8.9186 117.5258 61.9775 69.4257 175.5284 65 K 3.9451 9.0822 125.9312 59.8905 31.9904 178.6432 66 E 4.1260 8.4344 118.2808 58.6795 29.5154 177.2909 67 C 4.6264 7.6936 109.0945 56.5574 31.1261 173.2078 68 L 3.6423 7.5078 119.2769 56.4869 39.4517 173.9540 69 H 4.8787 8.4653 114.9118 54.1995 31.3159 175.4057 70 R 4.8313 7.7705 121.1986 54.7130 32.2568 175.4531 71 F 4.9662 8.6853 119.4848 56.1507 44.2851 173.9554 72 C 4.9367 9.1867 118.0910 59.3127 28.9686 174.5149 73 A 4.0302 8.8271 126.2352 55.9078 17.9544 180.1051 74 D 4.3513 8.1521 116.3352 57.6982 40.8649 178.9945 75 C 4.0956 7.9639 116.6110 62.9113 28.2976 175.8401 76 I 3.4979 7.8442 120.1968 63.9008 37.4826 177.8797 77 I 3.6618 7.8646 120.7537 64.6713 36.9602 178.4151 78 T 3.8215 7.8859 116.2638 66.5101 68.0557 176.4273 79 A 3.9068 7.6223 121.2185 55.1826 18.7010 179.2797 80 L 4.1761 7.9082 117.4697 58.1119 41.5326 179.8882 81 R 3.9067 8.1608 117.6657 59.0245 30.0314 177.9996 82 S 4.3198 7.5649 112.0197 59.3916 63.2908 175.1032 83 G 3.7997 8.1403 111.4860 45.0737 0.0000 173.1323 84 N 4.5296 7.4149 117.4705 53.2240 38.4447 174.4913 85 K 4.6161 8.3670 128.0791 56.9201 33.0169 176.0427 86 E 5.0951 8.2925 118.7328 54.2459 32.5275 176.1665 87 C 4.1106 8.8509 124.1933 59.0399 31.9326 172.9548 88 P 4.3943 0.0000 0.0000 65.7554 31.3415 177.8254 89 T 4.2353 8.2828 114.2141 65.6757 68.4397 174.9844 90 C 4.7177 7.6058 111.7864 56.6980 31.0073 174.7397 91 R 4.3701 8.7006 118.2855 57.0626 27.9601 176.3552 92 K 4.2623 7.3660 117.6800 55.8370 33.3151 176.5425 93 K 4.3411 8.6896 124.9572 56.9452 32.7931 175.7179 94 L 4.6780 8.8348 127.5611 53.1082 43.3414 176.9432 95 V 3.7077 8.3588 124.8866 65.5879 32.0246 175.4017 96 S 4.5066 7.1986 111.3733 57.8484 65.1325 175.0926 97 K 4.1637 8.3830 120.0728 58.3433 31.9921 178.3897 98 R 4.2765 7.8124 113.7371 57.9348 29.9085 177.1679 99 S 4.5153 8.0199 115.1001 59.1007 63.1407 173.2118 100 L 5.3643 7.5209 119.8120 52.9032 44.9251 176.1623 101 R 4.8702 8.8877 121.2275 53.3854 33.6494 173.6237 102 P 4.6876 0.0000 0.0000 62.9578 32.4087 175.8519 103 D 4.9625 8.6501 121.1381 52.0476 40.2460 174.5898 104 P 4.4311 0.0000 0.0000 64.8068 31.9774 177.6045 105 N 4.4939 8.1680 115.2409 55.7193 38.6052 177.0685 106 F 3.9511 8.1382 121.4226 61.2479 39.5598 176.9032 107 D 4.4495 8.3039 118.3508 57.3894 40.6626 178.7500 108 A 3.9745 8.1501 121.2003 54.9402 18.3823 179.2791 109 L 3.8005 7.6568 118.3683 58.5766 42.2602 179.4404 110 I 3.8271 7.7308 119.4459 64.2932 36.7111 178.7124 111 S 4.1832 7.9341 115.6786 61.5179 62.7390 176.5268 112 K 4.1214 7.6541 119.6397 59.5024 31.9173 179.3331 113 I 3.6841 7.5067 119.1165 63.6688 37.0034 175.7762 114 Y 4.4606 7.6967 120.8957 58.2122 38.8960 174.7952 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 15 K 8.31 4.05 0.00 0.82 1.33 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.59 7.81 16 T 8.01 3.97 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 17 W 7.82 3.55 0.00 3.49 3.28 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 18 E 7.52 4.15 0.00 1.93 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 2.34 2.31 0.00 19 L 8.28 4.75 0.00 1.70 1.60 0.95 1.01 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 20 S 9.23 4.48 0.00 4.08 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 21 L 8.49 3.99 0.00 1.68 1.83 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.00 4.20 0.00 3.13 3.04 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 0.00 0.00 0.00 23 E 8.49 3.80 0.00 2.33 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 2.46 2.59 0.00 24 L 8.27 4.15 0.00 1.54 1.71 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.36 4.49 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 26 R 7.29 3.71 0.00 1.66 1.24 0.00 3.04 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 27 T 7.81 4.66 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 28 P 0.00 4.29 0.00 2.23 2.03 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 29 Q 8.32 4.34 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 30 E 8.42 4.13 0.00 1.96 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 0.00 2.32 2.25 0.00 31 A 8.27 4.12 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.15 4.22 1.86 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 1.47 0.61 0.90 0.00 0.00 33 T 8.32 4.46 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 34 D 7.79 4.62 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.46 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.34 3.75 0.00 1.57 1.64 0.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.53 4.47 0.00 1.98 1.83 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 2.25 2.44 0.00 38 I 7.98 4.52 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.85 0.00 0.00 39 V 7.94 4.44 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 0.74 0.00 0.00 0.92 0.00 0.00 *44 S 8.51 4.52 0.00 4.02 4.04 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 0.00 0.00 0.00 45 L 7.92 5.01 0.00 1.84 1.80 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.49 4.22 0.00 3.32 3.53 0.00 5.48 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.00 4.24 0.00 3.97 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 48 E 8.57 4.54 0.00 2.14 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 0.00 2.28 2.35 0.00 49 L 8.26 4.76 0.00 1.82 1.77 1.11 0.41 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 50 M 7.68 4.75 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 51 C 9.27 4.26 0.00 3.00 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 52 P 0.00 4.46 0.00 2.32 2.17 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.86 0.00 53 I 7.64 3.99 1.96 0.00 0.00 0.63 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 0.76 0.92 0.00 0.00 54 C 8.00 4.30 0.00 3.11 3.18 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 0.00 0.00 0.00 0.00 55 L 7.76 3.80 0.00 1.81 1.77 0.93 1.02 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 56 D 7.40 4.82 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 M 8.33 4.61 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 58 L 8.71 4.17 0.00 1.68 1.71 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.56 4.44 0.00 1.81 1.63 0.00 1.88 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 60 N 8.68 4.95 0.00 2.98 2.80 0.00 0.00 7.62 7.05 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 61 T 9.20 4.50 4.34 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 1.09 0.00 0.00 62 M 9.69 5.23 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.85 0.00 63 T 8.84 5.21 4.20 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 1.12 0.00 0.00 64 T 8.92 4.37 4.30 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 1.41 0.00 0.00 65 K 9.08 3.95 0.00 1.65 1.92 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.54 7.81 66 E 8.43 4.13 0.00 1.97 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 2.33 2.25 0.00 67 C 7.69 4.63 0.00 2.77 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 68 L 7.51 3.64 0.00 1.76 1.68 0.93 0.92 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 69 H 8.47 4.88 0.00 3.14 2.92 0.00 5.60 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 70 R 7.77 4.83 0.00 1.23 1.47 0.00 2.67 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.27 0.00 71 F 8.69 4.97 0.00 2.95 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 72 C 9.19 4.94 0.00 3.04 2.99 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 73 A 8.83 4.03 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 74 D 8.15 4.35 0.00 2.79 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 75 C 7.96 4.10 0.00 3.18 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 76 I 7.84 3.50 1.70 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 1.01 0.00 0.00 77 I 7.86 3.66 1.94 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 1.51 0.61 0.90 0.00 0.00 78 T 7.89 3.82 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 79 A 7.62 3.91 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.91 4.18 0.00 1.78 1.70 0.87 0.68 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 81 R 8.16 3.91 0.00 1.84 2.08 0.00 3.29 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 82 S 7.56 4.32 0.00 4.05 4.04 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 0.00 0.00 0.00 83 G 8.14 3.80 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 0.00 0.00 0.00 84 N 7.41 4.53 0.00 2.71 2.73 0.00 0.00 7.09 6.56 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 85 K 8.37 4.62 0.00 1.70 2.06 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.39 7.81 86 E 8.29 5.10 0.00 2.05 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 0.00 2.38 2.21 0.00 87 C 8.85 4.11 0.00 3.06 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 88 P 0.00 4.39 0.00 2.13 2.04 0.00 3.13 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.81 0.00 89 T 8.28 4.24 4.18 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 0.00 0.00 0.00 0.95 0.00 0.00 90 C 7.61 4.72 0.00 3.12 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.70 4.37 0.00 1.96 2.21 0.00 3.40 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 92 K 7.37 4.26 0.00 1.54 1.74 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.55 7.81 93 K 8.69 4.34 0.00 1.77 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.48 7.81 94 L 8.83 4.68 0.00 1.45 1.53 0.87 0.95 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 95 V 8.36 3.71 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 0.77 0.00 0.00 0.93 0.00 0.00 96 S 7.20 4.51 0.00 3.97 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 97 K 8.38 4.16 0.00 1.80 1.83 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.42 7.81 98 R 7.81 4.28 0.00 1.98 2.03 0.00 3.11 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 99 S 8.02 4.52 0.00 4.07 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 0.00 100 L 7.52 5.36 0.00 1.61 1.55 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.89 4.87 0.00 1.66 1.78 0.00 3.29 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 102 P 0.00 4.69 0.00 2.09 2.07 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 103 D 8.65 4.96 0.00 2.69 2.59 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 0.00 104 P 0.00 4.43 0.00 2.23 2.11 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 105 N 8.17 4.49 0.00 2.81 2.90 0.00 0.00 6.81 8.13 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 0.00 106 F 8.14 3.95 0.00 3.50 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 0.00 107 D 8.30 4.45 0.00 2.97 2.76 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 0.00 108 A 8.15 3.97 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 0.00 109 L 7.66 3.80 0.00 1.76 1.59 0.81 0.77 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 0.00 110 I 7.73 3.83 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 1.02 0.00 0.00 111 S 7.93 4.18 0.00 4.03 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 0.00 112 K 7.65 4.12 0.00 1.68 1.81 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 113 I 7.51 3.68 1.58 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 1.32 0.45 0.10 0.00 0.00 114 Y 7.70 4.46 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.