NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 Q 4.3241 8.3449 119.1188 54.5196 29.8587 173.8741 34 P 4.0614 0.0000 0.0000 58.4853 35.2321 172.3275 35 V 3.0933 8.3131 107.3321 63.4426 31.7806 178.1974 36 Q 5.1618 8.7649 130.1461 57.0048 32.2768 173.1133 37 Q 4.7726 8.0821 123.1419 55.2271 28.8768 174.1969 38 S 4.5926 7.6489 109.2573 59.2707 66.6234 175.5720 39 K 4.6007 7.7162 118.8167 53.7591 33.8519 176.5308 40 R 4.1642 8.0145 120.1886 59.4708 30.3618 178.4572 41 L 3.9305 7.8388 119.7640 58.1775 42.3007 178.5077 42 Q 4.0391 8.0680 117.3598 59.0189 28.6379 178.5921 43 Q 3.9384 8.5981 120.7252 59.8248 28.9521 178.9917 44 T 3.8058 7.8279 116.0908 66.5787 68.5285 175.9681 45 Q 4.0161 8.5000 121.6134 59.5120 28.9728 179.0070 46 A 3.9222 8.5978 121.3689 55.3765 18.3528 179.2469 47 Q 3.9209 8.7246 118.4210 59.4784 29.0496 178.9538 48 V 3.5744 8.4657 119.8836 65.7346 31.5737 177.9502 49 E 4.0055 8.0966 118.4821 59.0921 29.2100 178.7946 50 E 3.9048 8.3090 119.5359 59.3935 29.5042 179.1210 51 V 3.5777 7.1659 116.6163 65.7417 31.8921 177.8838 52 V 3.7331 7.5992 117.9902 66.0874 31.4149 177.7941 53 D 4.3561 8.0969 118.6000 57.5064 40.5507 178.7314 54 I 3.7402 7.9886 120.3059 64.6100 36.9670 178.0566 55 M 4.1906 7.9147 118.7497 57.6379 32.0646 178.8247 56 R 3.9767 7.8597 118.5818 58.9332 30.1325 179.2238 57 V 3.6079 7.6602 117.8189 66.0424 31.6101 177.7463 58 N 4.3976 7.8681 116.3007 56.2343 38.1281 177.6511 59 V 3.5594 7.9765 119.2677 65.9222 31.9202 177.1797 60 D 4.4315 7.9881 117.4536 57.5231 41.1076 178.2802 61 K 3.9621 8.6014 119.3802 59.5488 31.9512 179.4917 62 V 3.7725 7.9191 117.7958 63.7138 31.5452 178.0208 63 L 4.2104 8.2936 120.7614 57.7310 41.8694 178.6609 64 E 3.9771 8.1646 117.9272 59.5214 29.3633 179.2670 65 R 4.0011 8.2072 118.5712 58.9983 29.8975 177.9416 66 D 4.3714 7.9475 117.4439 56.9208 41.4737 178.2666 67 S 4.2453 7.9093 115.3932 61.3959 63.1502 176.1129 68 K 3.7779 7.9371 121.0677 59.8667 31.9100 179.5559 69 I 4.0524 7.7620 113.4559 61.6157 37.5074 176.2798 70 S 4.5709 8.5393 114.5916 59.6995 63.4220 175.6926 71 E 4.1180 7.9747 119.8128 58.2962 29.1023 178.5804 72 L 4.1476 7.7856 120.3124 57.2147 42.4637 177.0387 73 D 4.5531 7.7047 115.0134 56.2550 41.2447 176.2372 74 D 4.4891 8.0230 117.6165 56.1906 41.2481 177.3663 75 R 3.5495 7.9176 123.1896 59.9049 30.8037 178.1045 76 A 4.0232 8.1723 120.9020 55.1076 18.2705 178.9214 77 D 4.4566 8.0204 114.8976 56.6719 39.9896 177.8519 78 A 4.2345 9.0492 120.8055 52.8276 18.5233 177.8597 79 L 4.5337 8.4091 118.1821 54.3579 44.0353 177.7620 80 Q 4.1279 7.6497 117.0137 57.9102 29.0845 176.4379 81 A 4.6584 7.8911 120.5829 53.7393 19.0929 178.5103 82 G 3.7219 7.5550 102.9657 47.0746 0.0000 175.1783 83 A 4.5739 7.6679 122.4558 54.1578 19.6517 179.0483 84 S 4.3362 7.4954 107.2953 60.3152 62.2366 175.0246 85 Q 4.5443 8.7142 119.9419 55.7303 30.6270 180.9909 86 F 5.0604 7.6160 115.8641 59.6381 39.6940 176.4067 87 E 4.1244 8.1101 118.2756 59.3614 29.8238 177.4521 88 A 4.1317 8.1334 122.8973 55.8284 18.1556 179.2844 89 S 4.4503 7.4609 113.1629 60.6596 62.3070 178.5306 90 A 4.6395 8.6709 125.3369 53.8381 21.5903 179.5209 91 G 3.4066 8.2009 104.5787 48.0717 0.0000 176.4459 92 K 4.1285 8.1007 125.6873 58.8851 31.5567 181.8656 93 L 4.1692 7.8257 123.5030 59.3853 41.9417 178.9243 94 K 3.8807 9.1330 125.4133 60.1116 31.4729 181.0714 95 R 4.2889 8.1684 125.2026 60.5107 29.8896 181.5564 96 K 4.4135 8.5203 125.1873 58.9041 31.2544 180.1982 *97 F 4.7809 5.4600 116.9802 53.8160 45.7875 177.6116 *98 W 3.7821 8.1094 126.0386 56.8213 28.0234 176.4650 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 33 Q 8.34 4.32 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 34 P 0.00 4.06 0.00 2.13 1.95 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 35 V 8.31 3.09 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 0.66 0.00 0.00 0.93 0.00 0.00 36 Q 8.76 5.16 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.37 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 37 Q 8.08 4.77 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 38 S 7.65 4.59 0.00 3.93 3.94 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 39 K 7.72 4.60 0.00 1.76 1.88 0.00 1.71 0.00 0.00 1.94 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.38 7.81 40 R 8.01 4.16 0.00 1.81 2.01 0.00 3.29 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 41 L 7.84 3.93 0.00 1.75 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.07 4.04 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.66 2.38 0.00 43 Q 8.60 3.94 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 44 T 7.83 3.81 4.37 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 0.00 0.00 0.00 1.21 0.00 0.00 45 Q 8.50 4.02 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 46 A 8.60 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 3.92 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 48 V 8.47 3.57 2.35 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 0.98 0.00 0.00 0.97 0.00 0.00 49 E 8.10 4.01 0.00 2.21 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 2.33 2.63 0.00 50 E 8.31 3.90 0.00 2.04 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 2.31 2.32 0.00 51 V 7.17 3.58 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 0.85 0.00 0.00 1.00 0.00 0.00 52 V 7.60 3.73 2.21 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 0.98 0.00 0.00 1.00 0.00 0.00 53 D 8.10 4.36 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.99 3.74 2.00 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 1.53 0.91 0.00 0.00 55 M 7.91 4.19 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 56 R 7.86 3.98 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 57 V 7.66 3.61 2.28 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 1.03 0.00 0.00 0.98 0.00 0.00 58 N 7.87 4.40 0.00 2.92 2.85 0.00 0.00 6.70 8.32 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 59 V 7.98 3.56 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 0.79 0.00 0.00 0.97 0.00 0.00 60 D 7.99 4.43 0.00 2.86 2.82 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 0.00 0.00 0.00 61 K 8.60 3.96 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.61 7.81 62 V 7.92 3.77 2.27 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 0.79 0.00 0.00 0.93 0.00 0.00 63 L 8.29 4.21 0.00 1.93 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.16 3.98 0.00 2.14 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 2.40 2.38 0.00 65 R 8.21 4.00 0.00 1.89 2.14 0.00 3.09 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 66 D 7.95 4.37 0.00 2.90 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 67 S 7.91 4.25 0.00 4.04 3.88 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 68 K 7.94 3.78 0.00 1.83 1.88 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.67 7.81 69 I 7.76 4.05 1.96 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 1.18 0.74 0.98 0.00 0.00 70 S 8.54 4.57 0.00 4.02 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 71 E 7.97 4.12 0.00 2.20 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 2.33 2.31 0.00 72 L 7.79 4.15 0.00 1.75 1.64 0.92 1.15 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 73 D 7.70 4.55 0.00 2.68 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 74 D 8.02 4.49 0.00 2.95 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 75 R 7.92 3.55 0.00 1.88 2.01 0.00 3.22 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 76 A 8.17 4.02 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.02 4.46 0.00 2.93 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 78 A 9.05 4.23 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 79 L 8.41 4.53 0.00 1.92 1.60 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 7.65 4.13 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 81 A 7.89 4.66 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.56 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 83 A 7.67 4.57 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 84 S 7.50 4.34 0.00 4.02 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 85 Q 8.71 4.54 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 86 F 7.62 5.06 0.00 3.03 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 87 E 8.11 4.12 0.00 2.16 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 2.34 2.32 0.00 88 A 8.13 4.13 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 89 S 7.46 4.45 0.00 3.77 3.75 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 90 A 8.67 4.64 1.20 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 0.00 0.00 91 G 8.20 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 0.00 0.00 0.00 92 K 8.10 4.13 0.00 1.79 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.31 7.81 93 L 7.83 4.17 0.00 1.86 1.80 0.91 0.71 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 94 K 9.13 3.88 0.00 1.74 1.62 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.34 7.81 95 R 8.17 4.29 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 96 K 8.52 4.41 0.00 1.87 1.46 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *97 F 5.46 4.78 0.00 2.08 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 0.00 0.00 0.00 *98 W 8.11 3.78 0.00 2.67 2.16 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 * Residues marked with a * may have inaccurate shift predictions.