NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.5678 0.0000 0.0000 63.0745 32.9193 177.8930 8 M 3.9725 7.6585 116.9354 56.9919 32.0546 176.4700 9 V 3.8874 7.9287 116.8141 64.1213 33.0050 181.6623 10 K 4.5761 8.0097 123.6946 55.1018 31.1515 181.7100 11 E 4.1306 8.6984 122.4898 60.1008 29.9339 182.2682 12 I 3.9547 7.9598 114.4434 61.8483 35.3918 181.8111 13 E 4.4086 7.9956 124.2396 61.4856 30.1830 183.2595 14 K 4.4753 8.1221 125.6988 60.2063 31.6397 183.5522 15 K 4.2632 8.1306 126.1429 60.5337 31.6498 182.7162 16 I 3.9654 7.6185 124.1506 65.5932 35.0272 180.3835 17 E 4.2555 8.7472 123.2665 61.6535 29.3458 181.6222 18 N 4.5865 8.5309 122.9331 58.1864 37.6754 180.1377 19 I 4.0559 8.4179 124.2132 63.8624 36.0460 179.8052 20 V 4.8064 8.9216 127.6133 64.2983 30.6568 185.0000 21 T 4.0703 8.3794 116.1044 67.9411 68.0752 175.1154 22 K 4.0766 7.7184 123.0183 58.1622 31.7676 181.3785 23 I 4.1679 7.9704 116.9824 60.8498 36.0427 179.2729 24 D 4.7494 8.5502 126.0790 59.4405 39.9352 184.3683 25 K 4.4911 8.8871 127.4636 58.9305 31.4026 181.5734 26 K 4.4228 7.5282 124.6444 61.1165 31.8571 185.0000 27 K 4.5089 8.1843 127.1125 60.3558 31.4116 181.8305 *28 Y 4.7229 7.2778 120.7432 60.0377 36.7582 179.4446 29 I 4.5252 7.8820 124.3407 65.9149 36.9652 181.4503 *30 Y 4.3122 7.8337 124.1284 61.8456 36.5646 180.4116 31 D 4.7907 8.2686 121.3246 58.5868 40.3075 182.8399 32 N 5.0970 8.3233 119.4255 56.5413 38.8711 182.7959 33 M 4.4688 7.8800 122.1811 60.4106 31.5062 184.9522 34 K 4.2448 8.0651 124.9266 60.9280 32.0209 184.3518 35 K 4.3367 8.2541 127.1901 59.9703 31.4271 181.5926 36 L 4.3897 8.1192 124.1579 60.4115 40.7038 184.2706 37 L 4.5908 7.8777 120.8575 57.4223 40.6484 180.1317 38 N 5.0651 7.6168 122.1914 57.9210 39.1798 181.2210 39 E 4.2453 7.9007 123.4341 61.5476 28.5931 181.6073 40 I 3.9368 8.2563 121.6962 64.8572 35.3324 179.9711 41 A 4.3776 7.9512 124.5874 55.7611 18.3775 180.1503 42 E 4.0255 9.2033 120.3942 62.3030 29.7890 180.6917 43 I 3.6766 8.7193 119.8474 67.5694 35.2723 180.3704 44 E 4.3044 7.9839 121.2760 61.7423 29.8956 182.1970 45 K 4.2334 7.7663 125.4664 60.2816 31.8237 182.3257 46 D 4.8187 8.5647 123.4693 59.7055 40.0959 182.7479 47 K 4.4504 8.0685 126.6085 60.5615 31.8361 181.1428 48 T 4.1402 8.6180 117.5276 66.5309 68.3885 179.3779 49 S 4.4176 8.2663 122.7374 64.0089 62.4606 178.8239 50 L 4.4288 8.3592 128.6045 59.9532 40.9175 181.3178 51 E 4.4611 8.5003 122.1486 61.8599 28.9401 181.7255 52 E 4.3413 8.4606 120.0019 61.4821 29.5157 182.9294 53 V 4.5486 8.0893 120.0028 63.6008 31.9691 180.2780 54 K 4.6792 7.6987 125.3660 59.2055 32.5679 183.1098 55 N 4.7659 7.8671 120.2076 58.6669 37.7486 183.3585 56 I 3.9746 7.9504 124.3397 65.8523 35.1847 180.3936 57 N 4.5819 8.2618 121.6602 58.5567 37.5314 180.5260 58 M 4.3225 8.1809 125.3796 60.6309 31.2834 181.4511 59 S 4.4087 8.1388 121.6238 64.1434 62.4472 178.5410 *60 Y 3.9087 8.0090 123.8840 59.9016 37.1977 178.9672 61 G 4.3785 10.9342 109.1798 46.6374 0.0000 178.1498 62 K 4.7885 8.3638 132.1298 59.4959 32.4123 177.5545 63 S 4.5068 8.5204 123.0931 63.5973 62.4017 178.9708 64 L 4.4239 9.0961 129.1402 60.0746 40.5036 180.7929 65 N 4.7384 8.8843 121.5773 57.2363 36.8907 182.8058 66 K 4.2264 8.2316 126.3477 60.6858 32.1697 181.7390 67 L 4.3228 7.9623 125.8591 60.1587 40.6387 181.9890 *68 F 4.4238 7.9888 122.8842 61.8468 38.0020 179.2634 69 L 4.6642 8.7312 122.5942 57.6781 40.5398 180.6265 70 E 4.7724 7.8686 117.4986 58.0207 32.4928 183.2952 71 K 4.1613 8.0346 121.3933 58.2540 32.6182 181.3279 72 I 4.0996 7.1007 118.9343 60.0052 37.9786 180.1209 *76 K 4.3408 8.2158 118.6596 57.0480 34.1971 176.3410 77 K 4.2797 7.8781 124.8456 60.2317 32.0357 182.2932 78 K 4.3368 8.1695 126.3781 60.1611 31.6828 182.3359 79 S 4.4083 7.7365 119.7447 64.3099 62.0216 181.2186 80 E 4.2956 8.2331 123.6475 61.7502 29.3970 181.7885 81 N 4.7142 7.7969 121.5013 58.2024 36.3898 179.5022 82 M 4.4935 8.4178 124.1948 60.4856 31.4281 182.7942 83 I 3.8074 7.9688 122.9559 62.6726 36.3243 180.4100 84 K 5.0124 8.3449 131.1340 57.4652 31.0272 185.0000 85 S 4.4472 9.3663 124.6121 65.4470 61.7236 176.8466 86 M 4.3754 8.0237 123.8792 60.8811 31.2956 183.1243 87 E 4.4405 7.8131 121.3538 60.5851 29.7083 181.5193 88 K 4.2455 8.0980 123.8851 60.6948 31.9251 184.2355 *89 Y 4.5231 7.7744 122.3054 62.3557 36.9333 182.3262 90 I 4.2241 7.5971 121.2656 64.0331 35.6782 180.8559 91 K 4.5062 7.8000 127.1021 61.1192 31.3711 185.0000 92 D 5.0319 8.1675 120.2119 53.8721 39.1629 180.6440 93 L 4.4299 8.4556 127.3369 59.3099 40.8605 181.1056 94 D 4.7475 8.1005 121.5426 59.5352 40.0530 184.0730 95 E 4.4093 8.2496 119.9736 62.2852 29.6360 184.2876 96 I 4.1798 7.8526 123.0970 64.9034 35.3388 179.7759 97 K 4.8409 7.7143 124.2251 57.8994 31.7486 181.8637 98 E 4.7087 7.9426 117.1380 57.7565 32.4062 181.8302 99 Q 4.2197 8.3952 123.6196 60.3210 27.7564 182.1278 100 S 4.3291 8.0051 121.4057 63.1006 62.7101 176.8170 101 P 4.6603 0.0000 0.0000 66.1709 30.8842 179.4927 102 K 4.0209 7.7914 121.0761 59.6170 31.8131 180.3743 103 A 4.4940 8.5627 121.4150 54.4063 18.3603 179.1936 104 E 4.3399 8.3345 120.7656 60.7252 29.5991 183.4681 105 M 4.7505 7.7570 118.5631 55.2632 31.3799 179.9560 106 N 5.0030 8.4976 120.9422 52.0487 38.9800 178.2934 107 T 4.3054 8.0245 115.5106 60.3862 69.5678 173.9032 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 7 P 0.00 4.57 0.00 2.19 2.25 0.00 3.34 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 8 M 7.66 3.97 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.17 0.00 9 V 7.93 3.89 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 0.67 0.00 0.00 0.93 0.00 0.00 10 K 8.01 4.58 0.00 1.67 1.81 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.00 7.81 11 E 8.70 4.13 0.00 1.87 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 2.24 2.12 0.00 12 I 7.96 3.95 1.87 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 1.27 0.54 0.91 0.00 0.00 13 E 8.00 4.41 0.00 1.96 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 2.25 1.92 0.00 14 K 8.12 4.48 0.00 1.80 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 15 K 8.13 4.26 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 16 I 7.62 3.97 1.87 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 1.38 0.54 0.91 0.00 0.00 17 E 8.75 4.26 0.00 1.91 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 2.25 2.21 0.00 18 N 8.53 4.59 0.00 2.69 2.85 0.00 0.00 7.16 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 19 I 8.42 4.06 1.87 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 1.38 1.10 0.91 0.00 0.00 20 V 8.92 4.81 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 0.71 0.00 0.00 0.93 0.00 0.00 21 T 8.38 4.07 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 1.21 0.00 0.00 22 K 7.72 4.08 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.27 7.81 23 I 7.97 4.17 1.87 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 1.16 1.12 0.91 0.00 0.00 24 D 8.55 4.75 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 25 K 8.89 4.49 0.00 1.72 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 K 7.53 4.42 0.00 1.81 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.33 7.81 27 K 8.18 4.51 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *28 Y 7.28 4.72 0.00 2.41 2.20 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 29 I 7.88 4.53 1.87 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 1.38 0.62 0.91 0.00 0.00 *30 Y 7.83 4.31 0.00 2.31 2.34 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 31 D 8.27 4.79 0.00 2.77 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 32 N 8.32 5.10 0.00 2.70 2.82 0.00 0.00 6.97 7.73 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 33 M 7.88 4.47 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 34 K 8.07 4.24 0.00 1.76 1.83 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 35 K 8.25 4.34 0.00 1.75 1.87 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.09 7.81 36 L 8.12 4.39 0.00 1.66 1.70 0.92 0.45 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 L 7.88 4.59 0.00 1.75 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.62 5.07 0.00 2.77 2.81 0.00 0.00 7.17 7.54 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 39 E 7.90 4.25 0.00 1.95 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 2.24 2.19 0.00 40 I 8.26 3.94 1.87 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 1.45 0.53 0.91 0.00 0.00 41 A 7.95 4.38 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 42 E 9.20 4.03 0.00 1.93 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 2.24 2.19 0.00 43 I 8.72 3.68 1.87 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 1.38 0.53 0.91 0.00 0.00 44 E 7.98 4.30 0.00 2.12 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 2.24 2.20 0.00 45 K 7.77 4.23 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.33 7.81 46 D 8.56 4.82 0.00 2.69 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 8.07 4.45 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.39 7.81 48 T 8.62 4.14 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 1.21 0.00 0.00 49 S 8.27 4.42 0.00 3.70 3.84 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 50 L 8.36 4.43 0.00 1.64 1.70 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.50 4.46 0.00 1.96 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 2.25 2.22 0.00 52 E 8.46 4.34 0.00 1.99 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 2.24 2.19 0.00 53 V 8.09 4.55 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 0.91 0.00 0.00 0.93 0.00 0.00 54 K 7.70 4.68 0.00 1.88 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.30 7.81 55 N 7.87 4.77 0.00 2.77 2.82 0.00 0.00 6.93 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 56 I 7.95 3.97 1.87 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 1.50 0.53 0.91 0.00 0.00 57 N 8.26 4.58 0.00 2.72 2.85 0.00 0.00 7.01 7.66 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 58 M 8.18 4.32 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 59 S 8.14 4.41 0.00 3.73 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 *60 Y 8.01 3.91 0.00 2.42 2.25 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 0.00 0.00 0.00 0.00 61 G 10.93 4.38 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 0.00 62 K 8.36 4.79 0.00 1.80 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.13 7.81 63 S 8.52 4.51 0.00 3.72 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 64 L 9.10 4.42 0.00 1.59 1.72 0.92 -0.03 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 65 N 8.88 4.74 0.00 2.70 2.72 0.00 0.00 6.92 7.56 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 66 K 8.23 4.23 0.00 1.73 1.89 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.37 7.81 67 L 7.96 4.32 0.00 1.67 1.71 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *68 F 7.99 4.42 0.00 2.39 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 0.00 0.00 0.00 0.00 69 L 8.73 4.66 0.00 1.64 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.87 4.77 0.00 1.89 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 2.12 2.07 0.00 71 K 8.03 4.16 0.00 1.77 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.28 7.81 72 I 7.10 4.10 1.87 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 1.16 1.04 0.91 0.00 0.00 *76 K 8.22 4.34 0.00 1.70 1.76 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 77 K 7.88 4.28 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 78 K 8.17 4.34 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 79 S 7.74 4.41 0.00 3.83 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 80 E 8.23 4.30 0.00 1.97 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 2.31 1.94 0.00 81 N 7.80 4.71 0.00 2.82 2.77 0.00 0.00 6.98 7.32 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 82 M 8.42 4.49 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 83 I 7.97 3.81 1.87 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 1.38 1.10 0.91 0.00 0.00 84 K 8.34 5.01 0.00 1.72 0.78 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 85 S 9.37 4.45 0.00 3.72 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 86 M 8.02 4.38 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.17 0.00 87 E 7.81 4.44 0.00 2.07 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 2.24 2.19 0.00 88 K 8.10 4.25 0.00 1.86 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *89 Y 7.77 4.52 0.00 2.28 2.32 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 0.00 90 I 7.60 4.22 1.87 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 1.38 1.10 0.91 0.00 0.00 91 K 7.80 4.51 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 92 D 8.17 5.03 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.43 0.00 1.62 1.69 0.92 0.98 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 94 D 8.10 4.75 0.00 2.77 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 95 E 8.25 4.41 0.00 1.97 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 2.31 1.94 0.00 96 I 7.85 4.18 1.87 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 1.50 0.54 0.91 0.00 0.00 97 K 7.71 4.84 0.00 1.88 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.32 7.81 98 E 7.94 4.71 0.00 1.87 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 2.13 2.09 0.00 99 Q 8.40 4.22 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 100 S 8.01 4.33 0.00 3.70 3.84 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 0.00 101 P 0.00 4.66 0.00 2.32 2.13 0.00 3.57 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 2.28 2.15 0.00 102 K 7.79 4.02 0.00 1.87 1.72 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 103 A 8.56 4.49 1.32 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 0.00 0.00 0.00 104 E 8.33 4.34 0.00 2.01 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 2.21 2.18 0.00 105 M 7.76 4.75 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.10 0.00 106 N 8.50 5.00 0.00 2.64 2.58 0.00 0.00 6.51 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 0.00 107 T 8.02 4.31 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.