#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3i s MET 379 N 0.00 4.15 -0.19 2.12 1.00 -1.26 -4.12 119.30 120.99 1q3i s MET 379 Ca 0.00 1.27 -0.12 0.00 0.00 0.00 0.00 55.69 56.84 1q3i s MET 379 Cb 0.00 -2.28 0.06 0.00 0.00 0.00 0.00 34.83 32.61 1q3i s MET 379 CO 0.00 -0.12 0.48 0.95 0.00 0.00 0.00 175.02 176.33 1q3i s THR 380 N -1.98 -0.02 0.02 2.05 -4.23 -1.15 -4.32 115.64 106.02 1q3i s THR 380 Ca 0.61 0.06 -0.30 0.00 -1.18 0.00 0.00 61.69 60.88 1q3i s THR 380 Cb -0.14 -0.70 -0.07 0.00 1.34 0.00 0.00 72.50 72.93 1q3i s THR 380 CO 0.18 0.02 1.66 -0.69 -0.54 0.00 0.00 174.62 175.26 1q3i s VAL 381 N 1.27 3.27 -0.26 2.29 1.01 -1.26 -1.24 120.40 125.49 1q3i s VAL 381 Ca -0.08 0.57 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 1q3i s VAL 381 Cb -0.07 -3.37 -0.14 0.00 0.00 0.00 0.00 36.38 32.80 1q3i s VAL 381 CO -0.12 -0.02 -0.27 0.00 0.00 0.00 0.00 175.10 174.69 1q3i n ALA 382 N 6.25 1.40 -2.53 5.51 0.00 0.19 -4.71 120.51 126.62 1q3i n ALA 382 Ca 0.16 -1.06 -0.14 0.00 0.00 0.00 0.00 53.44 52.40 1q3i n ALA 382 Cb 0.42 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1q3i n ALA 382 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1q3i s HIS 383 N -2.49 1.16 -0.01 0.00 3.76 -0.80 -1.26 115.29 115.64 1q3i s HIS 383 Ca -0.35 -1.33 -0.29 0.00 -0.15 0.00 0.00 55.06 52.95 1q3i s HIS 383 Cb 0.11 -0.38 0.08 0.00 1.11 0.00 0.00 32.58 33.50 1q3i s HIS 383 CO 0.53 -0.86 0.72 0.00 -0.85 0.00 0.00 174.74 174.29 1q3i s MET 384 N -3.72 1.03 -0.14 1.40 0.23 -0.93 -0.28 119.30 116.89 1q3i s MET 384 Ca 0.35 0.01 0.02 0.00 -1.03 0.00 0.00 55.69 55.04 1q3i s MET 384 Cb 0.03 0.48 0.01 0.00 -1.53 0.00 0.00 34.83 33.82 1q3i s MET 384 CO 0.17 -0.37 -0.21 -0.46 -2.03 0.00 0.00 175.02 172.12 1q3i s TRP 385 N -1.99 2.61 0.09 3.16 -0.00 -0.43 -0.35 118.94 122.03 1q3i s TRP 385 Ca -0.05 -1.35 -0.26 0.00 -0.00 0.00 0.00 56.10 54.44 1q3i s TRP 385 Cb -0.00 -1.79 0.08 0.00 -0.00 0.00 0.00 33.47 31.76 1q3i s TRP 385 CO 0.01 -0.63 0.84 -0.59 -0.00 0.00 0.00 176.95 176.59 1q3i s PHE 386 N 0.90 -0.31 -1.39 5.86 -0.12 -1.09 -0.79 117.98 121.03 1q3i s PHE 386 Ca -0.05 0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 56.81 1q3i s PHE 386 Cb -0.15 0.58 0.08 0.00 -0.63 0.00 0.00 43.02 42.90 1q3i s PHE 386 CO -0.03 -0.72 0.61 -0.25 -0.05 0.00 0.00 175.22 174.77 1q3i n ASP 387 N -0.34 -3.96 -3.92 1.98 8.00 -1.26 -1.20 116.55 115.84 1q3i n ASP 387 Ca -0.09 -0.53 -0.29 0.00 0.71 0.00 0.00 54.79 54.59 1q3i n ASP 387 Cb 0.62 -3.24 0.01 0.00 -0.02 0.00 0.00 41.12 38.49 1q3i n ASP 387 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1q3i n ASN 388 N -2.43 -3.22 -3.69 -2.24 4.05 -1.26 -4.92 115.26 101.55 1q3i n ASN 388 Ca 0.00 -0.85 -0.14 0.00 0.45 0.00 0.00 54.58 54.04 1q3i n ASN 388 Cb 0.54 -3.64 -0.09 0.00 1.23 0.00 0.00 39.78 37.82 1q3i n ASN 388 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 177.26 172.63 1q3i s GLN 389 N -6.53 0.65 0.24 1.20 2.00 -0.34 -5.15 119.66 111.74 1q3i s GLN 389 Ca 0.45 0.59 -0.30 0.00 -2.00 0.00 0.00 55.36 54.10 1q3i s GLN 389 Cb -0.23 0.31 -0.09 0.00 0.80 0.00 0.00 33.01 33.80 1q3i s GLN 389 CO 0.85 -0.11 0.97 0.42 -0.50 0.00 0.00 175.29 176.92 1q3i s ILE 390 N -0.01 3.99 0.06 -2.34 -1.09 -1.26 -2.68 121.20 117.87 1q3i s ILE 390 Ca -0.02 1.99 0.07 0.00 -2.23 0.00 0.00 60.65 60.46 1q3i s ILE 390 Cb -0.03 -4.27 -0.03 0.00 -1.58 0.00 0.00 42.46 36.55 1q3i s ILE 390 CO 0.02 0.47 -0.19 -1.00 -1.23 0.00 0.00 174.94 173.01 1q3i s HIS 391 N -1.13 1.67 -0.04 3.97 3.76 0.53 -4.99 115.29 119.06 1q3i s HIS 391 Ca 0.42 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.76 1q3i s HIS 391 Cb -0.27 -0.96 -0.05 0.00 1.11 0.00 0.00 32.58 32.41 1q3i s HIS 391 CO 0.33 0.12 0.48 -1.21 -0.85 0.00 0.00 174.74 173.61 1q3i s GLU 392 N -1.46 4.18 0.29 1.40 0.41 -1.26 -2.19 118.70 120.07 1q3i s GLU 392 Ca 0.06 0.51 -0.23 0.00 -0.41 0.00 0.00 54.97 54.89 1q3i s GLU 392 Cb -0.09 -3.33 -0.09 0.00 -1.78 0.00 0.00 34.13 28.84 1q3i s GLU 392 CO 0.03 0.43 0.85 0.00 -0.49 0.00 0.00 175.26 176.07 1q3i s ALA 393 N -0.28 3.28 -0.50 5.21 0.00 -0.39 -3.01 121.76 126.08 1q3i s ALA 393 Ca 0.26 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1q3i s ALA 393 Cb -0.17 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1q3i s ALA 393 CO 0.13 0.24 1.65 0.34 0.00 0.00 0.00 175.76 178.12 1q3i s ASP 394 N -1.70 5.83 0.00 0.00 -1.08 -1.26 -4.79 116.67 113.67 1q3i s ASP 394 Ca 0.48 0.63 0.29 0.00 -0.52 0.00 0.00 52.55 53.44 1q3i s ASP 394 Cb -0.17 -2.53 1.52 0.00 -1.46 0.00 0.00 42.92 40.28 1q3i s ASP 394 CO 0.22 -1.88 2.03 1.07 0.52 0.00 0.00 175.17 177.13 1q3i n THR 395 N 7.14 0.04 0.08 1.71 5.66 -1.26 -4.97 114.28 122.67 1q3i n THR 395 Ca 0.18 0.01 -0.09 0.00 -3.05 0.00 0.00 64.05 61.10 1q3i n THR 395 Cb 0.49 -0.53 -0.02 0.00 -1.55 0.00 0.00 70.33 68.73 1q3i n THR 395 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 175.07 172.76 1q3i h THR 396 N 0.00 1.49 0.00 1.09 2.02 -1.87 -3.44 112.91 112.20 1q3i h THR 396 Ca 0.00 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.55 1q3i h THR 396 Cb 0.24 2.48 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 1q3i h THR 396 CO 0.00 0.77 0.00 1.07 0.37 0.00 0.00 175.52 177.73 1q3i n THR 403 N -3.66 0.00 0.00 3.16 5.66 -1.16 -5.11 114.28 113.17 1q3i n THR 403 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1q3i n THR 403 Cb 0.82 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 1q3i n THR 403 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1q3i n PHE 404 N 0.00 0.00 -3.07 1.09 0.99 -1.26 -4.36 117.46 110.86 1q3i n PHE 404 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.04 1q3i n PHE 404 Cb 0.00 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.42 1q3i n PHE 404 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1q3i s ASP 405 N -0.54 6.57 0.05 4.37 -1.08 -1.26 -4.91 116.67 119.86 1q3i s ASP 405 Ca 0.00 0.59 0.27 0.00 -0.52 0.00 0.00 52.55 52.90 1q3i s ASP 405 Cb 0.00 -2.35 0.93 0.00 -1.46 0.00 0.00 42.92 40.03 1q3i s ASP 405 CO 0.00 -0.48 1.74 0.29 0.52 0.00 0.00 175.17 177.24 1q3i n LYS 406 N 5.90 0.07 -0.16 4.34 4.01 -1.26 -4.26 118.16 126.80 1q3i n LYS 406 Ca 0.00 0.04 -0.06 0.00 -0.51 0.00 0.00 58.31 57.79 1q3i n LYS 406 Cb 0.49 -1.57 0.01 0.00 -0.51 0.00 0.00 35.03 33.44 1q3i n LYS 406 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1q3i h ARG 407 N 0.00 -0.17 -6.18 1.97 2.47 -2.01 -3.43 114.38 107.03 1q3i h ARG 407 Ca 0.00 0.01 -0.72 0.00 -1.26 0.00 0.00 59.98 58.01 1q3i h ARG 407 Cb 0.56 0.04 0.05 0.00 -1.65 0.00 0.00 29.97 28.97 1q3i h ARG 407 CO 0.00 -0.11 0.36 0.45 0.56 0.00 0.00 179.97 181.22 1q3i n SER 408 N -5.42 1.16 0.30 7.04 2.88 -1.26 -4.83 113.62 113.48 1q3i n SER 408 Ca 0.03 1.13 0.18 0.00 -1.33 0.00 0.00 58.87 58.88 1q3i n SER 408 Cb 0.34 -1.10 0.90 0.00 -0.75 0.00 0.00 64.21 63.60 1q3i n SER 408 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1q3i h PRO 409 N 4.20 0.00 -0.70 -1.46 0.11 -1.86 -1.71 132.00 130.57 1q3i h PRO 409 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1q3i h PRO 409 Cb 1.36 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.44 1q3i h PRO 409 CO 0.75 0.04 0.44 1.15 -0.21 0.00 0.00 178.00 180.17 1q3i h THR 410 N 0.00 1.19 0.00 -1.15 2.02 -1.89 -0.89 112.91 112.19 1q3i h THR 410 Ca -0.00 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1q3i h THR 410 Cb 0.26 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1q3i h THR 410 CO 0.00 0.19 -0.25 -0.25 0.37 0.00 0.00 175.52 175.59 1q3i h TRP 411 N 0.95 0.00 -0.38 3.16 2.91 -1.62 -1.49 115.95 119.48 1q3i h TRP 411 Ca 0.25 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.23 1q3i h TRP 411 Cb -0.07 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1q3i h TRP 411 CO -0.02 0.25 0.05 1.15 -1.03 0.00 0.00 178.44 178.84 1q3i h THR 412 N 0.00 1.24 -0.05 2.65 2.02 -1.07 -0.78 112.91 116.93 1q3i h THR 412 Ca -0.00 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 1q3i h THR 412 Cb 0.53 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1q3i h THR 412 CO 0.03 0.30 -0.05 0.00 0.37 0.00 0.00 175.52 176.17 1q3i h ALA 413 N 0.91 0.08 -0.32 6.16 0.00 -1.00 -2.55 119.26 122.53 1q3i h ALA 413 Ca 0.11 -0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1q3i h ALA 413 Cb 0.38 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1q3i h ALA 413 CO 0.01 -0.13 -0.03 1.25 0.00 0.00 0.00 179.25 180.34 1q3i h LEU 414 N -0.32 -0.20 -0.63 0.00 5.85 -1.29 0.23 115.31 118.95 1q3i h LEU 414 Ca 0.01 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.93 1q3i h LEU 414 Cb 0.55 0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1q3i h LEU 414 CO 0.01 -0.06 0.16 -1.28 -0.34 0.00 0.00 178.44 176.93 1q3i h SER 415 N 0.05 0.06 -0.31 1.25 0.87 -1.12 0.20 113.55 114.55 1q3i h SER 415 Ca 0.15 0.11 -0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1q3i h SER 415 Cb 0.22 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1q3i h SER 415 CO -0.29 0.03 -0.05 0.03 -0.53 0.00 0.00 176.83 176.02 1q3i h ARG 416 N 0.30 0.58 -0.65 2.24 3.08 -0.85 -0.76 114.38 118.31 1q3i h ARG 416 Ca 0.33 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1q3i h ARG 416 Cb 0.50 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1q3i h ARG 416 CO -0.40 0.75 0.40 0.82 -1.07 0.00 0.00 179.97 180.47 1q3i h ILE 417 N 0.36 1.18 0.00 2.04 2.04 0.37 0.30 117.51 123.80 1q3i h ILE 417 Ca 0.08 -0.38 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 1q3i h ILE 417 Cb 0.52 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1q3i h ILE 417 CO 0.03 0.18 -0.54 0.00 0.00 0.00 0.00 178.15 177.82 1q3i h ALA 418 N 1.55 0.82 0.13 1.87 0.00 -0.41 -2.61 119.26 120.62 1q3i h ALA 418 Ca 0.24 -0.49 -0.35 0.00 0.00 0.00 0.00 54.91 54.31 1q3i h ALA 418 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1q3i h ALA 418 CO -0.05 0.67 -1.88 0.78 0.00 0.00 0.00 179.25 178.78 1q3i h GLY 419 N 2.48 0.31 0.04 0.00 0.00 -0.14 -3.41 103.07 102.35 1q3i h GLY 419 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 1q3i h GLY 419 CO 0.07 0.70 -0.00 1.41 0.00 0.00 0.00 176.54 178.72 1q3i h LEU 420 N -0.01 -0.00 -4.76 3.11 3.38 -0.56 -3.31 115.31 113.15 1q3i h LEU 420 Ca -0.40 -0.93 -0.29 0.00 0.09 0.00 0.00 57.88 56.35 1q3i h LEU 420 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.72 1q3i h LEU 420 CO 0.08 0.95 1.32 0.00 0.09 0.00 0.00 178.44 180.88 1q3i s ASN 422 N 2.63 -0.29 -0.41 0.00 3.84 -1.25 -4.89 114.94 114.58 1q3i s ASN 422 Ca 0.48 1.00 -0.12 0.00 0.21 0.00 0.00 52.86 54.43 1q3i s ASN 422 Cb 0.18 1.40 0.05 0.00 -0.55 0.00 0.00 41.25 42.32 1q3i s ASN 422 CO -0.02 -0.23 0.27 -0.13 -2.79 0.00 0.00 177.10 174.20 1q3i s ARG 424 N 2.63 2.82 0.00 0.43 0.52 -1.26 -5.00 118.95 119.09 1q3i s ARG 424 Ca -0.01 -1.21 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 1q3i s ARG 424 Cb -0.12 -3.86 0.00 0.00 0.52 0.00 0.00 34.95 31.49 1q3i s ARG 424 CO -0.13 -0.83 0.00 0.00 0.02 0.00 0.00 175.30 174.36 1q3i n ALA 425 N 5.04 0.00 -2.38 2.13 0.00 -1.26 -4.57 120.51 119.47 1q3i n ALA 425 Ca -0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 1q3i n ALA 425 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 1q3i n ALA 425 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1q3i s VAL 426 N -0.08 0.50 0.97 0.00 1.01 -0.97 -4.97 120.40 116.85 1q3i s VAL 426 Ca 0.00 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 1q3i s VAL 426 Cb 0.00 -2.53 0.21 0.00 0.00 0.00 0.00 36.38 34.06 1q3i s VAL 426 CO 0.00 0.00 1.33 -0.36 0.00 0.00 0.00 175.10 176.07 1q3i s PHE 427 N -3.52 1.48 -0.30 5.22 0.40 -1.26 -2.04 117.98 117.96 1q3i s PHE 427 Ca 0.34 0.26 -0.30 0.00 -0.60 0.00 0.00 56.93 56.64 1q3i s PHE 427 Cb 0.05 -4.14 -0.07 0.00 0.51 0.00 0.00 43.02 39.37 1q3i s PHE 427 CO 0.16 -2.70 2.25 1.17 0.70 0.00 0.00 175.22 176.80 1q3i n LYS 437 N -3.78 1.61 0.00 0.44 3.00 -1.26 -4.83 118.16 113.33 1q3i n LYS 437 Ca 0.16 0.40 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 1q3i n LYS 437 Cb 0.59 -3.06 0.00 0.00 0.00 0.00 0.00 35.03 32.57 1q3i n LYS 437 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1q3i n ARG 438 N 8.66 4.00 -2.68 1.64 1.74 -1.26 -5.10 116.66 123.67 1q3i n ARG 438 Ca 0.34 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.99 1q3i n ARG 438 Cb 0.40 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.82 1q3i n ARG 438 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1q3i s ASP 439 N 0.87 7.09 0.80 0.55 1.01 -1.26 -5.03 116.67 120.70 1q3i s ASP 439 Ca 0.00 1.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.59 1q3i s ASP 439 Cb 0.00 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.56 1q3i s ASP 439 CO 0.00 -0.64 1.10 0.28 0.21 0.00 0.00 175.17 176.11 1q3i s THR 440 N 3.09 2.00 -0.33 -1.27 -1.32 -1.26 -4.24 115.64 112.31 1q3i s THR 440 Ca 0.44 -0.49 -0.03 0.00 -1.21 0.00 0.00 61.69 60.39 1q3i s THR 440 Cb -0.15 -2.51 0.19 0.00 -1.51 0.00 0.00 72.50 68.51 1q3i s THR 440 CO 0.07 0.00 0.88 0.00 -2.21 0.00 0.00 174.62 173.36 1q3i s ALA 441 N -3.35 -3.56 0.00 11.08 0.00 -0.86 -4.86 121.76 120.20 1q3i s ALA 441 Ca 0.70 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1q3i s ALA 441 Cb -0.04 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1q3i s ALA 441 CO 0.47 -2.24 0.00 0.41 0.00 0.00 0.00 175.76 174.40 1q3i n GLY 442 N 4.45 0.18 3.84 0.00 0.00 -1.26 -2.30 105.19 110.09 1q3i n GLY 442 Ca 0.08 -1.79 -0.31 0.00 0.00 0.00 0.00 46.02 43.99 1q3i n GLY 442 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1q3i s ASP 443 N -0.98 5.82 0.14 1.61 -4.77 -1.26 -4.83 116.67 112.40 1q3i s ASP 443 Ca 0.00 1.57 -0.29 0.00 -3.30 0.00 0.00 52.55 50.53 1q3i s ASP 443 Cb 0.00 -2.49 -0.07 0.00 -1.09 0.00 0.00 42.92 39.26 1q3i s ASP 443 CO 0.00 -1.15 1.49 0.00 0.70 0.00 0.00 175.17 176.22 1q3i h ALA 444 N -0.32 -0.57 -0.08 2.11 0.00 -1.99 -0.59 119.26 117.81 1q3i h ALA 444 Ca -0.44 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.58 1q3i h ALA 444 Cb 1.20 1.27 -0.06 0.00 0.00 0.00 0.00 17.79 20.21 1q3i h ALA 444 CO 0.59 -0.92 -0.29 0.77 0.00 0.00 0.00 179.25 179.40 1q3i h SER 445 N -0.11 -0.89 0.50 0.00 0.02 -1.96 -0.39 113.55 110.73 1q3i h SER 445 Ca 0.12 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1q3i h SER 445 Cb 0.42 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 63.34 1q3i h SER 445 CO -0.77 -0.34 -0.06 -0.33 -1.14 0.00 0.00 176.83 174.19 1q3i h GLU 446 N -0.39 0.00 0.20 3.45 5.08 -1.87 0.33 114.58 121.37 1q3i h GLU 446 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1q3i h GLU 446 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1q3i h GLU 446 CO -0.30 0.06 -0.09 0.77 -1.00 0.00 0.00 179.01 178.44 1q3i h SER 447 N 0.00 -0.22 -0.09 1.42 0.02 0.33 0.25 113.55 115.26 1q3i h SER 447 Ca -0.00 -0.26 0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1q3i h SER 447 Cb 0.33 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1q3i h SER 447 CO 0.01 0.17 -0.01 0.00 -1.14 0.00 0.00 176.83 175.85 1q3i h ALA 448 N 0.04 0.07 -0.16 3.77 0.00 -0.47 -0.80 119.26 121.71 1q3i h ALA 448 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1q3i h ALA 448 Cb 0.47 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1q3i h ALA 448 CO 0.04 -0.48 -0.14 -0.07 0.00 0.00 0.00 179.25 178.60 1q3i h LEU 449 N 0.01 -0.45 -0.83 0.00 3.38 -0.94 0.37 115.31 116.87 1q3i h LEU 449 Ca 0.04 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.23 1q3i h LEU 449 Cb 0.06 0.22 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1q3i h LEU 449 CO -0.09 -0.18 0.43 0.25 0.09 0.00 0.00 178.44 178.94 1q3i h LEU 450 N -0.16 0.54 -0.24 1.67 5.85 -0.56 0.22 115.31 122.62 1q3i h LEU 450 Ca 0.10 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1q3i h LEU 450 Cb 0.31 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1q3i h LEU 450 CO -0.25 0.25 -0.05 0.11 -0.34 0.00 0.00 178.44 178.16 1q3i h LYS 451 N 0.65 0.46 0.31 1.25 1.57 0.01 0.11 116.57 120.93 1q3i h LYS 451 Ca 0.44 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1q3i h LYS 451 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1q3i h LYS 451 CO -0.33 0.68 -0.22 0.00 -0.57 0.00 0.00 179.45 179.00 1q3i h ILE 453 N -0.53 1.22 -0.11 0.00 1.08 -0.64 0.12 117.51 118.64 1q3i h ILE 453 Ca -0.03 -0.89 -0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1q3i h ILE 453 Cb 0.45 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1q3i h ILE 453 CO 0.01 0.30 0.06 -0.08 -0.69 0.00 0.00 178.15 177.76 1q3i h GLU 454 N 0.55 0.16 -0.28 2.37 4.57 -0.64 0.23 114.58 121.54 1q3i h GLU 454 Ca 0.11 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.16 1q3i h GLU 454 Cb 0.39 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1q3i h GLU 454 CO 0.02 0.17 -0.27 -0.07 -1.18 0.00 0.00 179.01 177.67 1q3i h LEU 455 N 0.10 0.73 -0.18 1.64 3.38 -0.94 0.04 115.31 120.08 1q3i h LEU 455 Ca 0.04 -0.47 -0.21 0.00 0.09 0.00 0.00 57.88 57.33 1q3i h LEU 455 Cb 0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1q3i h LEU 455 CO -0.01 1.05 -0.95 0.28 0.09 0.00 0.00 178.44 178.90 1q3i h SER 456 N 0.42 0.19 0.00 -0.43 0.02 -0.71 -3.39 113.55 109.65 1q3i h SER 456 Ca 0.05 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1q3i h SER 456 Cb 0.84 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1q3i h SER 456 CO 0.07 1.03 -0.51 0.00 -1.14 0.00 0.00 176.83 176.28 1q3i n GLY 458 N 1.65 -2.44 2.20 0.00 0.00 -0.00 -4.99 105.19 101.62 1q3i n GLY 458 Ca 0.00 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.45 1q3i n GLY 458 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1q3i n SER 459 N 0.00 0.53 0.13 1.61 2.88 -1.26 -4.24 113.62 113.27 1q3i n SER 459 Ca 0.00 0.49 0.12 0.00 -1.33 0.00 0.00 58.87 58.15 1q3i n SER 459 Cb 0.00 -0.60 0.09 0.00 -0.75 0.00 0.00 64.21 62.96 1q3i n SER 459 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 1q3i h VAL 460 N 4.53 0.00 0.12 2.46 -1.51 -1.89 -2.58 116.25 117.38 1q3i h VAL 460 Ca -0.09 -0.90 -0.01 0.00 -1.23 0.00 0.00 66.70 64.48 1q3i h VAL 460 Cb 0.94 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.68 1q3i h VAL 460 CO 0.72 0.00 -0.06 -0.09 -1.23 0.00 0.00 177.57 176.91 1q3i h ARG 461 N 0.00 -0.16 0.00 5.19 1.12 -1.97 0.60 114.38 119.16 1q3i h ARG 461 Ca 0.00 0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.81 1q3i h ARG 461 Cb 0.95 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.93 1q3i h ARG 461 CO 0.00 -0.07 -0.36 -0.22 -3.11 0.00 0.00 179.97 176.21 1q3i h LYS 462 N -0.20 0.00 -0.51 0.20 3.64 -1.92 -2.17 116.57 115.61 1q3i h LYS 462 Ca -0.02 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.25 1q3i h LYS 462 Cb 0.16 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 1q3i h LYS 462 CO 0.03 0.36 -0.14 1.98 -2.27 0.00 0.00 179.45 179.41 1q3i h MET 463 N 0.00 0.99 0.00 1.90 4.05 -0.96 -2.61 114.93 118.30 1q3i h MET 463 Ca -0.00 -0.39 -0.05 0.00 -0.28 0.00 0.00 59.70 58.97 1q3i h MET 463 Cb 0.74 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 1q3i h MET 463 CO 0.05 1.06 -0.26 0.00 0.23 0.00 0.00 176.91 177.99 1q3i h ARG 464 N 0.85 0.00 -0.34 0.39 3.08 -0.58 -3.16 114.38 114.63 1q3i h ARG 464 Ca 0.13 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 1q3i h ARG 464 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1q3i h ARG 464 CO 0.05 0.26 -0.17 -0.44 -1.07 0.00 0.00 179.97 178.60 1q3i h ASP 465 N 0.00 0.74 -0.48 7.04 5.19 -1.02 -3.19 116.42 124.71 1q3i h ASP 465 Ca -0.00 -0.41 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 1q3i h ASP 465 Cb 0.68 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.98 1q3i h ASP 465 CO 0.03 0.99 0.00 -1.14 -3.12 0.00 0.00 179.24 176.00 1q3i n ARG 466 N -4.33 3.10 -2.67 3.56 3.00 -1.13 -4.08 116.66 114.12 1q3i n ARG 466 Ca -0.03 -2.13 -0.14 0.00 -0.00 0.00 0.00 57.85 55.55 1q3i n ARG 466 Cb 0.40 -1.76 0.02 0.00 0.00 0.00 0.00 32.46 31.12 1q3i n ARG 466 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1q3i n ASN 467 N 0.75 2.16 -1.30 6.15 4.13 -1.20 -3.52 115.26 122.43 1q3i n ASN 467 Ca 0.19 -2.97 -0.18 0.00 1.68 0.00 0.00 54.58 53.31 1q3i n ASN 467 Cb 0.71 -0.52 -0.02 0.00 -1.54 0.00 0.00 39.78 38.41 1q3i n ASN 467 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1q3i n PRO 468 N -0.13 0.00 -2.42 3.52 -0.02 -1.24 -4.24 135.00 130.46 1q3i n PRO 468 Ca 0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.24 1q3i n PRO 468 Cb 0.76 -0.42 -0.04 0.00 -0.02 0.00 0.00 33.50 33.78 1q3i n PRO 468 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1q3i s LYS 469 N 0.33 4.56 -0.01 -0.52 1.02 -1.26 -2.14 119.74 121.71 1q3i s LYS 469 Ca 0.27 1.84 0.00 0.00 0.02 0.00 0.00 55.97 58.10 1q3i s LYS 469 Cb -0.39 -3.22 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1q3i s LYS 469 CO 0.19 0.04 -0.00 0.28 -0.92 0.00 0.00 175.35 174.94 1q3i n VAL 470 N 1.96 0.05 -3.90 3.17 0.31 0.53 -4.95 118.33 115.51 1q3i n VAL 470 Ca 0.02 -0.03 -0.08 0.00 -0.01 0.00 0.00 64.34 64.24 1q3i n VAL 470 Cb 0.45 -0.77 -0.08 0.00 -0.91 0.00 0.00 33.84 32.53 1q3i n VAL 470 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1q3i s ALA 471 N -2.02 -0.10 -0.02 3.52 0.00 -1.20 -4.85 121.76 117.09 1q3i s ALA 471 Ca -0.01 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1q3i s ALA 471 Cb 0.00 0.45 0.07 0.00 0.00 0.00 0.00 23.12 23.65 1q3i s ALA 471 CO 0.03 -0.49 0.69 -2.00 0.00 0.00 0.00 175.76 173.99 1q3i s GLU 472 N -3.87 1.06 0.01 0.00 2.12 -1.26 -2.03 118.70 114.72 1q3i s GLU 472 Ca 0.05 0.12 -0.08 0.00 0.36 0.00 0.00 54.97 55.43 1q3i s GLU 472 Cb 0.05 0.50 0.00 0.00 0.26 0.00 0.00 34.13 34.94 1q3i s GLU 472 CO -0.11 -0.36 0.15 0.42 -0.54 0.00 0.00 175.26 174.83 1q3i s ILE 473 N -1.63 0.09 -0.34 -3.70 1.01 -0.87 -4.90 121.20 110.86 1q3i s ILE 473 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1q3i s ILE 473 Cb -0.00 -0.58 0.14 0.00 0.01 0.00 0.00 42.46 42.03 1q3i s ILE 473 CO 0.05 -0.42 0.26 -0.44 0.00 0.00 0.00 174.94 174.39 1q3i s SER 474 N -1.59 2.39 0.00 3.58 0.01 -1.26 -2.97 113.70 113.86 1q3i s SER 474 Ca -0.12 -1.71 0.00 0.00 1.31 0.00 0.00 55.95 55.43 1q3i s SER 474 Cb -0.06 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1q3i s SER 474 CO 0.00 -0.32 0.00 0.00 0.41 0.00 0.00 173.24 173.33 1q3i n TYR 481 N 4.44 0.00 -4.04 2.43 0.18 -1.26 -4.95 117.16 113.96 1q3i n TYR 481 Ca 0.07 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.71 1q3i n TYR 481 Cb 0.41 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.23 1q3i n TYR 481 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1q3i s GLN 482 N 0.00 0.26 0.27 -3.48 1.11 -0.50 -5.00 119.66 112.33 1q3i s GLN 482 Ca 0.00 -0.16 -0.05 0.00 0.01 0.00 0.00 55.36 55.16 1q3i s GLN 482 Cb 0.00 -0.23 -0.01 0.00 -1.01 0.00 0.00 33.01 31.76 1q3i s GLN 482 CO 0.00 0.06 0.38 -0.48 0.01 0.00 0.00 175.29 175.26 1q3i s LEU 483 N -0.20 0.84 -0.25 2.90 0.05 -1.16 -1.20 118.68 119.67 1q3i s LEU 483 Ca -0.00 -1.28 -0.27 0.00 0.05 0.00 0.00 54.13 52.63 1q3i s LEU 483 Cb -0.02 1.26 0.15 0.00 -2.05 0.00 0.00 46.19 45.52 1q3i s LEU 483 CO -0.00 -1.12 1.15 -0.94 -0.55 0.00 0.00 176.35 174.89 1q3i s SER 484 N -3.15 -0.29 0.02 1.48 1.04 -0.63 -2.05 113.70 110.12 1q3i s SER 484 Ca 0.30 0.45 0.05 0.00 0.48 0.00 0.00 55.95 57.24 1q3i s SER 484 Cb 0.01 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1q3i s SER 484 CO 0.15 -0.17 -0.14 -0.63 0.98 0.00 0.00 173.24 173.43 1q3i s ILE 485 N -0.43 3.09 0.05 -1.02 1.01 -0.86 -1.09 121.20 121.95 1q3i s ILE 485 Ca 0.03 -1.00 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 1q3i s ILE 485 Cb -0.03 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1q3i s ILE 485 CO -0.06 0.39 -0.03 -1.00 0.00 0.00 0.00 174.94 174.24 1q3i s HIS 486 N -0.92 0.53 -0.44 3.97 3.76 -1.05 -0.35 115.29 120.80 1q3i s HIS 486 Ca 0.15 -1.02 -0.27 0.00 -0.15 0.00 0.00 55.06 53.78 1q3i s HIS 486 Cb -0.11 -0.39 0.02 0.00 1.11 0.00 0.00 32.58 33.22 1q3i s HIS 486 CO 0.05 -0.35 0.99 -1.21 -0.85 0.00 0.00 174.74 173.38 1q3i s GLU 487 N -3.72 3.68 0.11 1.40 2.02 -0.91 -2.35 118.70 118.92 1q3i s GLU 487 Ca 0.06 0.41 -0.36 0.00 0.02 0.00 0.00 54.97 55.09 1q3i s GLU 487 Cb 0.06 -3.89 -0.16 0.00 0.10 0.00 0.00 34.13 30.25 1q3i s GLU 487 CO -0.09 -1.20 1.38 0.54 0.02 0.00 0.00 175.26 175.91 1q3i n ARG 488 N 7.27 1.35 -0.27 1.61 1.74 -0.82 -4.00 116.66 123.54 1q3i n ARG 488 Ca 0.08 0.49 -0.04 0.00 -0.77 0.00 0.00 57.85 57.61 1q3i n ARG 488 Cb 0.48 -2.15 0.07 0.00 -1.02 0.00 0.00 32.46 29.84 1q3i n ARG 488 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1q3i h GLU 489 N 4.76 0.96 0.00 5.56 4.81 -1.92 -2.69 114.58 126.06 1q3i h GLU 489 Ca -0.47 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1q3i h GLU 489 Cb 1.32 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1q3i h GLU 489 CO 0.79 0.64 0.00 -0.25 -0.73 0.00 0.00 179.01 179.46 1q3i n ASP 490 N -4.58 0.00 -3.81 1.04 8.00 -1.26 -4.34 116.55 111.60 1q3i n ASP 490 Ca 0.07 0.88 -0.29 0.00 0.71 0.00 0.00 54.79 56.16 1q3i n ASP 490 Cb 0.03 -0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 40.59 1q3i n ASP 490 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1q3i s ASN 492 N -2.89 3.30 0.59 -2.24 4.22 -1.15 -5.02 114.94 111.75 1q3i s ASN 492 Ca 0.00 -0.99 0.29 0.00 -2.14 0.00 0.00 52.86 50.03 1q3i s ASN 492 Cb 0.00 -0.82 1.40 0.00 1.28 0.00 0.00 41.25 43.11 1q3i s ASN 492 CO 0.00 -0.29 1.79 1.55 -2.04 0.00 0.00 177.10 178.11 1q3i h PRO 493 N 8.13 0.00 0.00 3.55 0.13 -1.68 -2.05 132.00 140.08 1q3i h PRO 493 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1q3i h PRO 493 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1q3i h PRO 493 CO 0.37 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 180.10 1q3i h GLN 494 N 0.00 0.00 -5.49 0.86 1.08 -1.95 -3.42 115.11 106.18 1q3i h GLN 494 Ca 0.30 0.00 -0.65 0.00 -1.45 0.00 0.00 58.65 56.86 1q3i h GLN 494 Cb 1.59 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 28.90 1q3i h GLN 494 CO -0.00 0.00 -0.55 -1.54 -0.95 0.00 0.00 178.83 175.79 1q3i s SER 495 N -4.42 4.04 0.20 1.46 1.04 -0.77 -2.35 113.70 112.91 1q3i s SER 495 Ca 0.05 -1.47 0.09 0.00 0.48 0.00 0.00 55.95 55.10 1q3i s SER 495 Cb 0.10 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 1q3i s SER 495 CO 0.45 -0.64 -0.16 -1.00 0.98 0.00 0.00 173.24 172.86 1q3i s HIS 496 N -2.77 1.83 -0.03 5.02 3.76 -1.26 -1.95 115.29 119.88 1q3i s HIS 496 Ca 0.23 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.65 1q3i s HIS 496 Cb 0.06 -0.86 0.02 0.00 1.11 0.00 0.00 32.58 32.91 1q3i s HIS 496 CO 0.12 0.41 -0.05 0.54 -0.85 0.00 0.00 174.74 174.91 1q3i s VAL 497 N -2.63 0.54 -0.28 -0.90 0.11 -0.99 -0.31 120.40 115.93 1q3i s VAL 497 Ca 0.22 -0.16 -0.14 0.00 -2.93 0.00 0.00 61.98 58.97 1q3i s VAL 497 Cb -0.03 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1q3i s VAL 497 CO 0.08 0.21 0.31 -0.22 -3.33 0.00 0.00 175.10 172.15 1q3i s LEU 498 N 0.67 4.10 -0.17 2.54 0.20 0.29 -2.51 118.68 123.79 1q3i s LEU 498 Ca -0.09 0.11 -0.04 0.00 0.69 0.00 0.00 54.13 54.80 1q3i s LEU 498 Cb -0.12 -2.32 -0.03 0.00 -0.43 0.00 0.00 46.19 43.30 1q3i s LEU 498 CO 0.00 -0.17 -0.02 0.68 -0.29 0.00 0.00 176.35 176.56 1q3i s VAL 499 N 1.96 3.99 0.02 1.68 -7.23 -0.25 -0.37 120.40 120.21 1q3i s VAL 499 Ca 0.12 -0.32 0.01 0.00 -1.81 0.00 0.00 61.98 59.98 1q3i s VAL 499 Cb -0.16 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1q3i s VAL 499 CO 0.11 0.47 -0.05 -0.32 -0.31 0.00 0.00 175.10 175.00 1q3i s MET 500 N 0.52 0.40 0.21 4.82 0.00 -0.17 -1.60 119.30 123.48 1q3i s MET 500 Ca -0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 55.69 55.14 1q3i s MET 500 Cb -0.14 -0.20 -0.03 0.00 0.00 0.00 0.00 34.83 34.46 1q3i s MET 500 CO 0.02 0.04 0.18 -1.59 0.00 0.00 0.00 175.02 173.67 1q3i s LYS 501 N -1.04 1.26 0.00 4.11 -2.85 -0.34 -1.28 119.74 119.60 1q3i s LYS 501 Ca -0.07 -1.59 0.00 0.00 -1.00 0.00 0.00 55.97 53.31 1q3i s LYS 501 Cb -0.07 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 1q3i s LYS 501 CO -0.00 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1q3i n GLY 502 N -0.29 0.23 3.61 0.59 0.00 -1.06 -1.41 105.19 106.86 1q3i n GLY 502 Ca 0.02 -1.57 -0.52 0.00 0.00 0.00 0.00 46.02 43.95 1q3i n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3i n ALA 503 N -0.56 -0.62 0.03 4.61 0.00 -1.26 -1.25 120.51 121.45 1q3i n ALA 503 Ca 0.00 0.49 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 1q3i n ALA 503 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 19.45 17.23 1q3i n ALA 503 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1q3i h PRO 504 N 5.10 -0.57 -0.88 0.00 0.11 -1.88 0.25 132.00 134.14 1q3i h PRO 504 Ca -0.47 0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.71 1q3i h PRO 504 Cb 1.32 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.51 1q3i h PRO 504 CO 0.81 -0.38 0.57 0.93 -0.21 0.00 0.00 178.00 179.72 1q3i h GLU 505 N -0.59 1.06 -0.55 1.05 5.08 -1.98 0.22 114.58 118.89 1q3i h GLU 505 Ca 0.02 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1q3i h GLU 505 Cb 0.64 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1q3i h GLU 505 CO -0.35 0.70 -0.09 0.00 -1.00 0.00 0.00 179.01 178.27 1q3i h ARG 506 N 1.10 1.02 0.17 2.33 2.47 -1.87 -2.25 114.38 117.36 1q3i h ARG 506 Ca 0.35 -0.37 -0.01 0.00 -1.26 0.00 0.00 59.98 58.70 1q3i h ARG 506 Cb 0.02 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.27 1q3i h ARG 506 CO -0.12 1.06 -0.08 0.82 0.56 0.00 0.00 179.97 182.20 1q3i h ILE 507 N 0.91 0.85 -0.89 2.04 1.08 0.20 -2.89 117.51 118.81 1q3i h ILE 507 Ca 0.15 -0.09 0.15 0.00 -0.39 0.00 0.00 64.86 64.68 1q3i h ILE 507 Cb 0.66 0.91 -0.09 0.00 -3.07 0.00 0.00 36.82 35.22 1q3i h ILE 507 CO 0.05 0.02 0.49 0.25 -0.69 0.00 0.00 178.15 178.27 1q3i h LEU 508 N -0.27 0.62 -2.17 1.44 7.12 -0.41 -0.68 115.31 120.96 1q3i h LEU 508 Ca -0.02 0.09 0.01 0.00 0.13 0.00 0.00 57.88 58.08 1q3i h LEU 508 Cb 0.21 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1q3i h LEU 508 CO 0.04 0.27 0.02 0.44 -0.13 0.00 0.00 178.44 179.08 1q3i h ASP 509 N 0.70 0.00 -0.19 1.25 3.32 -1.19 -1.65 116.42 118.66 1q3i h ASP 509 Ca 0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1q3i h ASP 509 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1q3i h ASP 509 CO -0.35 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.71 1q3i n ARG 510 N -4.28 1.60 -4.85 3.56 1.74 -0.26 -4.85 116.66 109.32 1q3i n ARG 510 Ca -0.02 -0.92 -0.33 0.00 -0.77 0.00 0.00 57.85 55.81 1q3i n ARG 510 Cb 0.11 -1.31 -0.14 0.00 -1.02 0.00 0.00 32.46 30.10 1q3i n ARG 510 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1q3i n SER 512 N 3.01 1.16 -1.81 0.00 3.41 -0.15 -4.80 113.62 114.45 1q3i n SER 512 Ca -0.18 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1q3i n SER 512 Cb 0.52 0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.79 1q3i n SER 512 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1q3i n SER 513 N -2.96 1.43 -3.62 4.04 3.41 -1.15 0.51 113.62 115.28 1q3i n SER 513 Ca -0.37 -0.90 -0.08 0.00 -0.26 0.00 0.00 58.87 57.26 1q3i n SER 513 Cb 1.04 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.94 1q3i n SER 513 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1q3i s ILE 514 N -0.26 0.00 -0.08 -1.33 2.07 -0.43 -1.71 121.20 119.46 1q3i s ILE 514 Ca 0.00 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.05 1q3i s ILE 514 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1q3i s ILE 514 CO 0.00 0.00 0.53 -0.76 -1.91 0.00 0.00 174.94 172.80 1q3i s LEU 515 N -0.51 4.32 -0.14 8.50 1.43 -0.59 -0.77 118.68 130.91 1q3i s LEU 515 Ca 0.03 0.95 -0.02 0.00 -1.03 0.00 0.00 54.13 54.05 1q3i s LEU 515 Cb -0.03 -2.79 0.05 0.00 0.03 0.00 0.00 46.19 43.45 1q3i s LEU 515 CO -0.05 0.02 0.03 -0.69 0.23 0.00 0.00 176.35 175.89 1q3i s VAL 516 N 0.39 0.40 -1.41 -1.59 1.01 0.20 -4.37 120.40 115.04 1q3i s VAL 516 Ca 0.28 -0.25 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1q3i s VAL 516 Cb -0.16 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1q3i s VAL 516 CO 0.13 -0.03 0.67 0.00 0.00 0.00 0.00 175.10 175.87 1q3i n GLN 517 N 5.11 -4.42 0.00 2.72 1.13 -1.26 -0.73 117.38 119.93 1q3i n GLN 517 Ca -0.08 0.53 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 1q3i n GLN 517 Cb 0.48 -5.03 0.00 0.00 0.11 0.00 0.00 30.24 25.80 1q3i n GLN 517 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1q3i n GLY 518 N -1.71 2.38 3.73 1.08 0.00 -1.26 -4.78 105.19 104.63 1q3i n GLY 518 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1q3i n GLY 518 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q3i s LYS 519 N 0.00 4.29 -0.21 1.61 2.36 0.09 -4.94 119.74 122.94 1q3i s LYS 519 Ca 0.00 0.34 -0.22 0.00 -2.55 0.00 0.00 55.97 53.54 1q3i s LYS 519 Cb 0.00 -3.42 -0.02 0.00 -1.05 0.00 0.00 37.83 33.34 1q3i s LYS 519 CO 0.00 0.22 0.70 -2.00 1.55 0.00 0.00 175.35 175.82 1q3i s GLU 520 N 0.46 4.20 0.04 4.03 2.12 -1.26 -0.63 118.70 127.67 1q3i s GLU 520 Ca 0.23 0.74 0.04 0.00 0.36 0.00 0.00 54.97 56.34 1q3i s GLU 520 Cb -0.15 -3.60 -0.02 0.00 0.26 0.00 0.00 34.13 30.62 1q3i s GLU 520 CO 0.08 -0.34 -0.12 0.96 -0.54 0.00 0.00 175.26 175.31 1q3i s ILE 521 N 2.25 0.90 0.34 -3.70 -4.36 0.05 -4.92 121.20 111.75 1q3i s ILE 521 Ca 0.31 -1.03 -0.26 0.00 -0.26 0.00 0.00 60.65 59.41 1q3i s ILE 521 Cb -0.16 -0.86 -0.13 0.00 1.25 0.00 0.00 42.46 42.56 1q3i s ILE 521 CO 0.10 -0.15 0.82 -0.81 0.24 0.00 0.00 174.94 175.14 1q3i n PRO 522 N 1.72 0.97 -1.57 0.37 -0.04 -1.26 -1.31 135.00 133.87 1q3i n PRO 522 Ca -0.20 0.34 -0.34 0.00 -0.04 0.00 0.00 63.50 63.27 1q3i n PRO 522 Cb 0.55 -1.68 -0.04 0.00 -0.04 0.00 0.00 33.50 32.29 1q3i n PRO 522 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1q3i n LEU 523 N 1.21 7.64 0.00 1.53 0.00 0.18 -4.70 117.00 122.86 1q3i n LEU 523 Ca 0.11 -4.37 -0.20 0.00 0.00 0.00 0.00 56.01 51.55 1q3i n LEU 523 Cb 0.34 -1.41 0.19 0.00 0.00 0.00 0.00 43.42 42.55 1q3i n LEU 523 CO 0.57 1.97 0.25 -0.90 0.00 0.00 0.00 177.39 179.28 1q3i n ASP 524 N 2.24 -3.29 0.18 1.96 3.85 -1.26 -4.55 116.55 115.68 1q3i n ASP 524 Ca 0.63 -0.62 -0.14 0.00 -0.71 0.00 0.00 54.79 53.94 1q3i n ASP 524 Cb 0.38 -0.66 -0.07 0.00 -1.35 0.00 0.00 41.12 39.42 1q3i n ASP 524 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.20 176.69 1q3i h LYS 525 N 0.00 -0.59 -0.79 0.11 3.64 -1.99 -1.38 116.57 115.57 1q3i h LYS 525 Ca -0.26 0.04 0.18 0.00 -1.27 0.00 0.00 60.65 59.34 1q3i h LYS 525 Cb 0.88 0.14 -0.14 0.00 -0.41 0.00 0.00 32.23 32.69 1q3i h LYS 525 CO 0.16 -0.40 -0.03 1.49 -2.27 0.00 0.00 179.45 178.40 1q3i h GLU 526 N -0.62 0.07 -0.38 1.90 4.81 -1.98 0.51 114.58 118.89 1q3i h GLU 526 Ca -0.00 -0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 1q3i h GLU 526 Cb 0.59 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1q3i h GLU 526 CO -0.10 0.05 -0.36 0.52 -0.73 0.00 0.00 179.01 178.38 1q3i h MET 527 N 0.07 0.92 -0.97 1.92 2.86 -1.81 -2.01 114.93 115.91 1q3i h MET 527 Ca 0.43 -0.48 0.08 0.00 -2.06 0.00 0.00 59.70 57.66 1q3i h MET 527 Cb 0.76 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 32.36 1q3i h MET 527 CO -0.72 1.14 0.63 1.96 1.06 0.00 0.00 176.91 180.97 1q3i h GLN 528 N 0.74 1.06 -0.31 1.72 4.20 0.16 -0.33 115.11 122.35 1q3i h GLN 528 Ca 0.06 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1q3i h GLN 528 Cb 0.96 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1q3i h GLN 528 CO 0.09 0.70 -0.08 -0.44 -0.67 0.00 0.00 178.83 178.43 1q3i h ASP 529 N 1.09 0.60 -0.84 1.46 3.45 -0.91 0.29 116.42 121.55 1q3i h ASP 529 Ca 0.43 -0.37 0.15 0.00 0.43 0.00 0.00 57.03 57.66 1q3i h ASP 529 Cb 0.24 -0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 38.78 1q3i h ASP 529 CO -0.18 0.83 0.55 0.00 -1.57 0.00 0.00 179.24 178.87 1q3i h ALA 530 N 0.79 1.93 -0.03 3.45 0.00 -0.51 0.24 119.26 125.13 1q3i h ALA 530 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1q3i h ALA 530 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1q3i h ALA 530 CO 0.03 -0.16 -0.06 0.35 0.00 0.00 0.00 179.25 179.41 1q3i h PHE 531 N 0.59 0.12 -0.45 0.00 3.04 -0.66 -1.87 116.94 117.72 1q3i h PHE 531 Ca 0.42 -0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.37 1q3i h PHE 531 Cb 0.77 -0.02 -0.04 0.00 2.56 0.00 0.00 35.95 39.21 1q3i h PHE 531 CO -0.00 0.65 0.19 0.37 -2.02 0.00 0.00 178.31 177.51 1q3i h GLN 532 N -0.45 0.38 -0.17 1.11 -0.00 0.45 0.46 115.11 116.88 1q3i h GLN 532 Ca 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1q3i h GLN 532 Cb 0.65 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 28.03 1q3i h GLN 532 CO 0.01 0.25 0.10 -0.97 0.00 0.00 0.00 178.83 178.22 1q3i h ASN 533 N 0.39 0.16 0.15 -0.69 -1.24 -0.63 -0.06 115.58 113.65 1q3i h ASN 533 Ca 0.20 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 1q3i h ASN 533 Cb 0.15 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1q3i h ASN 533 CO -0.17 0.12 -0.11 0.00 -1.29 0.00 0.00 177.43 175.97 1q3i h ALA 534 N 1.08 -0.25 -0.49 1.57 0.00 -0.79 -1.42 119.26 118.94 1q3i h ALA 534 Ca 0.07 -0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.08 1q3i h ALA 534 Cb -0.00 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1q3i h ALA 534 CO -0.03 -0.65 0.43 -0.92 0.00 0.00 0.00 179.25 178.07 1q3i h TYR 535 N -0.27 0.00 0.21 0.00 -0.00 0.18 -1.40 116.97 115.68 1q3i h TYR 535 Ca -0.01 0.00 -0.33 0.00 -0.00 0.00 0.00 58.73 58.40 1q3i h TYR 535 Cb 0.24 0.00 0.04 0.00 -0.00 0.00 0.00 36.73 37.01 1q3i h TYR 535 CO -0.10 0.00 -1.41 -0.07 -0.00 0.00 0.00 178.16 176.58 1q3i h LEU 536 N 0.00 0.85 0.51 2.82 3.38 0.00 -2.66 115.31 120.21 1q3i h LEU 536 Ca 0.24 -0.87 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1q3i h LEU 536 Cb 1.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1q3i h LEU 536 CO -0.00 1.67 -0.24 -0.08 0.09 0.00 0.00 178.44 179.88 1q3i h GLU 537 N 0.18 -0.66 -0.57 1.13 4.81 -0.41 -0.97 114.58 118.10 1q3i h GLU 537 Ca -0.23 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1q3i h GLU 537 Cb 2.09 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 31.58 1q3i h GLU 537 CO 0.26 -0.35 0.32 -0.07 -0.73 0.00 0.00 179.01 178.44 1q3i h LEU 538 N -1.00 0.49 -1.28 1.64 3.38 -1.54 -0.66 115.31 116.34 1q3i h LEU 538 Ca -0.07 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1q3i h LEU 538 Cb 0.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1q3i h LEU 538 CO 0.11 0.33 -0.19 1.23 0.09 0.00 0.00 178.44 180.02 1q3i h GLY 539 N 0.61 0.28 2.00 0.83 0.00 -1.52 -2.21 103.07 103.06 1q3i h GLY 539 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1q3i h GLY 539 CO -0.14 0.18 0.00 -1.33 0.00 0.00 0.00 176.54 175.24 1q3i h GLY 540 N 0.86 0.00 -0.59 4.60 0.00 0.31 -0.61 103.07 107.64 1q3i h GLY 540 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1q3i h GLY 540 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.61 1q3i n LEU 541 N -2.52 1.38 -0.26 3.11 4.77 -0.84 -4.88 117.00 117.76 1q3i n LEU 541 Ca 0.00 -0.58 -0.03 0.00 -0.03 0.00 0.00 56.01 55.37 1q3i n LEU 541 Cb 0.17 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1q3i n LEU 541 CO 0.18 0.29 -0.03 0.61 -1.33 0.00 0.00 177.39 177.11 1q3i n GLY 542 N 1.06 0.64 3.88 -0.72 0.00 -0.24 -5.02 105.19 104.79 1q3i n GLY 542 Ca 0.15 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 1q3i n GLY 542 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1q3i s GLU 543 N -1.81 3.77 -0.17 1.61 2.02 -1.21 -4.89 118.70 118.02 1q3i s GLU 543 Ca 0.00 0.19 -0.29 0.00 0.02 0.00 0.00 54.97 54.89 1q3i s GLU 543 Cb 0.00 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 1q3i s GLU 543 CO 0.00 0.40 1.26 0.50 0.02 0.00 0.00 175.26 177.44 1q3i s ARG 544 N -2.57 4.22 -0.14 1.61 3.52 -0.31 -4.49 118.95 120.79 1q3i s ARG 544 Ca 0.43 1.64 -0.08 0.00 -0.13 0.00 0.00 55.73 57.59 1q3i s ARG 544 Cb -0.12 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.46 1q3i s ARG 544 CO 0.21 -0.72 0.13 0.08 -0.81 0.00 0.00 175.30 174.19 1q3i s VAL 545 N 3.54 5.41 0.09 7.11 1.01 -1.26 -0.74 120.40 135.56 1q3i s VAL 545 Ca 0.55 0.18 0.07 0.00 0.00 0.00 0.00 61.98 62.77 1q3i s VAL 545 Cb -0.21 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1q3i s VAL 545 CO 0.15 0.56 -0.18 -0.76 0.00 0.00 0.00 175.10 174.87 1q3i s LEU 546 N -0.57 2.30 0.02 3.92 1.43 -0.90 -4.51 118.68 120.37 1q3i s LEU 546 Ca 0.12 -0.67 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1q3i s LEU 546 Cb -0.12 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1q3i s LEU 546 CO 0.02 -0.01 0.02 -0.83 0.23 0.00 0.00 176.35 175.78 1q3i s GLY 547 N -1.89 1.92 -0.07 -3.19 0.00 -0.38 -1.56 107.32 102.15 1q3i s GLY 547 Ca 0.03 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.79 1q3i s GLY 547 CO 0.03 -0.87 -0.07 -1.36 0.00 0.00 0.00 173.10 170.83 1q3i s PHE 548 N -1.17 1.12 0.20 1.90 0.40 0.12 -2.56 117.98 118.00 1q3i s PHE 548 Ca 0.22 -0.42 -0.00 0.00 -0.60 0.00 0.00 56.93 56.13 1q3i s PHE 548 Cb -0.12 -0.93 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1q3i s PHE 548 CO 0.13 -0.30 0.10 0.00 0.70 0.00 0.00 175.22 175.86 1q3i s GLN 550 N -4.10 1.63 -0.22 0.00 -2.07 -0.79 -1.00 119.66 113.10 1q3i s GLN 550 Ca 0.36 -1.17 -0.08 0.00 -1.82 0.00 0.00 55.36 52.65 1q3i s GLN 550 Cb 0.07 0.52 0.10 0.00 -1.09 0.00 0.00 33.01 32.60 1q3i s GLN 550 CO 0.10 -0.70 0.48 -1.17 -1.32 0.00 0.00 175.29 172.68 1q3i s LEU 551 N -2.99 -0.71 -0.70 2.60 2.96 0.50 -0.75 118.68 119.60 1q3i s LEU 551 Ca 0.19 1.13 -0.27 0.00 -0.22 0.00 0.00 54.13 54.97 1q3i s LEU 551 Cb -0.02 1.61 0.04 0.00 0.50 0.00 0.00 46.19 48.31 1q3i s LEU 551 CO 0.08 -0.23 1.22 0.20 -1.32 0.00 0.00 176.35 176.31 1q3i s ASN 552 N 2.49 6.21 0.22 3.68 0.01 -1.26 0.10 114.94 126.39 1q3i s ASN 552 Ca -0.04 -0.42 -0.31 0.00 -0.71 0.00 0.00 52.86 51.38 1q3i s ASN 552 Cb -0.11 -2.54 -0.11 0.00 0.41 0.00 0.00 41.25 38.90 1q3i s ASN 552 CO -0.14 -1.72 1.63 -0.76 -1.51 0.00 0.00 177.10 174.60 1q3i s LEU 553 N 5.36 4.37 0.15 0.60 1.43 0.57 -4.90 118.68 126.27 1q3i s LEU 553 Ca 0.35 2.80 -0.34 0.00 -1.03 0.00 0.00 54.13 55.91 1q3i s LEU 553 Cb -0.09 -3.61 -0.14 0.00 0.03 0.00 0.00 46.19 42.38 1q3i s LEU 553 CO 0.16 -0.90 1.54 -2.65 0.23 0.00 0.00 176.35 174.73 1q3i n PRO 554 N 3.47 2.02 0.14 1.29 -0.02 -1.26 -4.16 135.00 136.47 1q3i n PRO 554 Ca 0.13 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.46 1q3i n PRO 554 Cb 0.37 -2.48 0.52 0.00 -0.02 0.00 0.00 33.50 31.89 1q3i n PRO 554 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1q3i n SER 555 N 3.26 0.70 0.18 2.55 3.41 -1.26 -1.87 113.62 120.59 1q3i n SER 555 Ca 0.17 0.69 -0.09 0.00 -0.26 0.00 0.00 58.87 59.38 1q3i n SER 555 Cb 0.28 -0.83 -0.05 0.00 -0.26 0.00 0.00 64.21 63.35 1q3i n SER 555 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1q3i h GLY 556 N 1.92 -0.55 2.00 5.00 0.00 -1.95 -2.70 103.07 106.78 1q3i h GLY 556 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1q3i h GLY 556 CO 0.00 -0.20 0.00 0.50 0.00 0.00 0.00 176.54 176.84 1q3i h LYS 557 N -1.11 0.00 -1.93 4.80 1.57 -1.95 -3.35 116.57 114.60 1q3i h LYS 557 Ca -0.05 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.21 1q3i h LYS 557 Cb 0.45 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.35 1q3i h LYS 557 CO 0.09 0.00 -0.95 1.19 -0.57 0.00 0.00 179.45 179.21 1q3i n PHE 558 N -3.01 2.06 -0.49 -1.35 3.01 -0.78 -5.06 117.46 111.83 1q3i n PHE 558 Ca 0.03 -3.68 -0.28 0.00 1.01 0.00 0.00 57.45 54.53 1q3i n PHE 558 Cb 0.45 -0.40 0.26 0.00 -0.01 0.00 0.00 39.48 39.79 1q3i n PHE 558 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1q3i s PRO 559 N -3.02 -1.16 0.39 -1.08 0.04 -1.02 -4.47 135.00 124.68 1q3i s PRO 559 Ca 0.43 0.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.04 1q3i s PRO 559 Cb 0.34 -1.53 -0.12 0.00 0.04 0.00 0.00 34.50 33.24 1q3i s PRO 559 CO -0.10 -3.88 0.96 0.54 0.04 0.00 0.00 177.00 174.56 1q3i n ARG 560 N -5.03 1.27 -1.85 4.56 1.74 -0.99 -2.15 116.66 114.21 1q3i n ARG 560 Ca 0.02 0.45 -0.12 0.00 -0.77 0.00 0.00 57.85 57.44 1q3i n ARG 560 Cb 0.54 -1.94 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 1q3i n ARG 560 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q3i n GLY 561 N 1.25 0.50 3.70 -0.13 0.00 -1.26 -4.99 105.19 104.26 1q3i n GLY 561 Ca 0.10 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 1q3i n GLY 561 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q3i s PHE 562 N -2.54 3.59 -0.68 1.61 2.19 -0.91 -4.96 117.98 116.28 1q3i s PHE 562 Ca 0.00 1.62 -0.26 0.00 0.33 0.00 0.00 56.93 58.62 1q3i s PHE 562 Cb 0.00 -3.13 -0.00 0.00 -1.31 0.00 0.00 43.02 38.58 1q3i s PHE 562 CO 0.00 -0.10 1.68 0.15 1.83 0.00 0.00 175.22 178.78 1q3i s LYS 563 N 1.44 2.82 0.17 10.12 -0.14 -1.26 -4.96 119.74 127.93 1q3i s LYS 563 Ca 0.49 0.26 -0.30 0.00 -1.36 0.00 0.00 55.97 55.07 1q3i s LYS 563 Cb -0.20 -4.38 -0.07 0.00 -1.68 0.00 0.00 37.83 31.50 1q3i s LYS 563 CO 0.23 -2.58 1.01 -0.06 -0.76 0.00 0.00 175.35 173.20 1q3i s PHE 564 N 8.01 3.76 -0.51 3.18 0.40 -1.26 -4.98 117.98 126.58 1q3i s PHE 564 Ca 0.57 1.75 -0.16 0.00 -0.60 0.00 0.00 56.93 58.48 1q3i s PHE 564 Cb -0.11 -3.13 0.09 0.00 0.51 0.00 0.00 43.02 40.38 1q3i s PHE 564 CO 0.17 -0.07 0.48 0.34 0.70 0.00 0.00 175.22 176.83 1q3i s ASP 565 N -0.30 6.17 0.14 1.36 2.15 -1.26 -4.94 116.67 119.98 1q3i s ASP 565 Ca 0.47 -1.42 -0.18 0.00 0.43 0.00 0.00 52.55 51.85 1q3i s ASP 565 Cb -0.26 -2.21 -0.01 0.00 -0.30 0.00 0.00 42.92 40.13 1q3i s ASP 565 CO 0.33 -0.77 1.77 0.74 -0.17 0.00 0.00 175.17 177.06 1q3i h THR 566 N 5.82 0.99 0.00 1.71 2.02 -1.94 -3.01 112.91 118.50 1q3i h THR 566 Ca -0.29 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.79 1q3i h THR 566 Cb 1.10 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 1q3i h THR 566 CO 0.95 0.05 0.00 -0.67 0.37 0.00 0.00 175.52 176.23 1q3i n ASP 567 N -4.97 0.00 -4.57 4.18 4.64 -1.26 -4.43 116.55 110.14 1q3i n ASP 567 Ca -0.01 0.16 -0.41 0.00 -1.38 0.00 0.00 54.79 53.15 1q3i n ASP 567 Cb 0.07 0.00 -0.03 0.00 -1.04 0.00 0.00 41.12 40.12 1q3i n ASP 567 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 1q3i s GLU 568 N -0.31 3.02 -0.41 -0.67 2.56 -1.26 -4.88 118.70 116.75 1q3i s GLU 568 Ca 0.00 0.77 -0.41 0.00 0.00 0.00 0.00 54.97 55.33 1q3i s GLU 568 Cb 0.00 -4.26 -0.16 0.00 2.00 0.00 0.00 34.13 31.71 1q3i s GLU 568 CO 0.00 -2.26 2.00 1.28 -0.56 0.00 0.00 175.26 175.72 1q3i n LEU 569 N 11.12 1.56 -1.30 2.70 7.99 -1.24 -4.48 117.00 133.35 1q3i n LEU 569 Ca 0.19 0.76 0.08 0.00 -0.01 0.00 0.00 56.01 57.02 1q3i n LEU 569 Cb 0.50 -1.05 0.29 0.00 -0.11 0.00 0.00 43.42 43.04 1q3i n LEU 569 CO 0.70 -0.69 0.73 -3.20 -1.51 0.00 0.00 177.39 173.42 1q3i n ASN 570 N 7.26 3.82 -2.64 -1.43 5.15 -1.14 -4.95 115.26 121.34 1q3i n ASN 570 Ca 0.42 -2.30 -0.09 0.00 -0.60 0.00 0.00 54.58 52.01 1q3i n ASN 570 Cb 0.07 -0.50 0.01 0.00 -0.53 0.00 0.00 39.78 38.84 1q3i n ASN 570 CO 0.00 0.00 0.00 2.22 1.40 0.00 0.00 177.26 180.88 1q3i n PHE 571 N 0.95 -2.04 -3.15 1.20 1.16 -1.26 -4.81 117.46 109.51 1q3i n PHE 571 Ca 0.21 -1.77 -0.35 0.00 -1.87 0.00 0.00 57.45 53.67 1q3i n PHE 571 Cb 0.70 0.76 -0.06 0.00 -1.61 0.00 0.00 39.48 39.27 1q3i n PHE 571 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1q3i s PRO 572 N -2.22 4.15 -0.04 3.97 0.04 -1.26 -4.94 135.00 134.70 1q3i s PRO 572 Ca 0.17 0.76 0.05 0.00 0.04 0.00 0.00 61.00 62.02 1q3i s PRO 572 Cb -0.04 -2.78 0.08 0.00 0.04 0.00 0.00 34.50 31.80 1q3i s PRO 572 CO 0.12 0.35 1.01 0.25 0.04 0.00 0.00 177.00 178.78 1q3i n THR 573 N 0.48 0.56 -4.23 1.26 -2.24 -1.26 -5.05 114.28 103.79 1q3i n THR 573 Ca -0.01 -0.66 -0.16 0.00 -2.27 0.00 0.00 64.05 60.95 1q3i n THR 573 Cb 0.52 0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.97 1q3i n THR 573 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1q3i s GLU 574 N -0.83 0.99 -0.99 -0.78 0.41 -1.26 -4.83 118.70 111.41 1q3i s GLU 574 Ca 0.09 -1.30 -0.05 0.00 -0.41 0.00 0.00 54.97 53.30 1q3i s GLU 574 Cb 0.08 -0.70 0.01 0.00 -1.78 0.00 0.00 34.13 31.73 1q3i s GLU 574 CO 0.01 0.11 0.69 1.63 -0.49 0.00 0.00 175.26 177.21 1q3i n LYS 575 N 0.25 -4.84 -2.01 1.61 5.02 -0.44 -4.99 118.16 112.75 1q3i n LYS 575 Ca -0.13 0.60 -0.28 0.00 -2.02 0.00 0.00 58.31 56.47 1q3i n LYS 575 Cb 0.59 -4.88 0.13 0.00 -0.02 0.00 0.00 35.03 30.85 1q3i n LYS 575 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1q3i s LEU 576 N -5.19 2.69 -0.34 -0.35 1.43 0.13 -4.37 118.68 112.68 1q3i s LEU 576 Ca 0.34 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.76 1q3i s LEU 576 Cb -0.15 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.42 1q3i s LEU 576 CO 0.42 -2.26 0.13 0.00 0.23 0.00 0.00 176.35 174.87 1q3i s PHE 578 N 1.48 2.93 -0.12 0.00 2.19 -0.69 -1.89 117.98 121.88 1q3i s PHE 578 Ca 0.01 0.95 -0.05 0.00 0.33 0.00 0.00 56.93 58.17 1q3i s PHE 578 Cb -0.19 -3.90 -0.05 0.00 -1.31 0.00 0.00 43.02 37.57 1q3i s PHE 578 CO 0.04 -2.95 -0.15 0.28 1.83 0.00 0.00 175.22 174.27 1q3i n VAL 579 N 2.27 0.66 0.00 3.12 0.31 0.99 -1.55 118.33 124.13 1q3i n VAL 579 Ca 0.07 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1q3i n VAL 579 Cb 0.39 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.77 1q3i n VAL 579 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1q3i n GLY 580 N 2.35 -0.41 3.63 2.92 0.00 -0.75 -4.64 105.19 108.29 1q3i n GLY 580 Ca -0.23 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 1q3i n GLY 580 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q3i s LEU 581 N 0.00 3.10 -0.21 0.99 1.43 0.03 0.16 118.68 124.17 1q3i s LEU 581 Ca 0.00 -0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 1q3i s LEU 581 Cb 0.00 -1.60 0.11 0.00 0.03 0.00 0.00 46.19 44.73 1q3i s LEU 581 CO 0.00 -0.05 0.35 -0.04 0.23 0.00 0.00 176.35 176.84 1q3i s MET 582 N -3.68 0.29 -0.10 1.70 -1.94 -0.60 -1.32 119.30 113.66 1q3i s MET 582 Ca 0.32 0.61 -0.06 0.00 -1.71 0.00 0.00 55.69 54.86 1q3i s MET 582 Cb -0.05 -0.37 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1q3i s MET 582 CO 0.19 -0.52 0.13 -1.54 -0.01 0.00 0.00 175.02 173.28 1q3i s SER 583 N 2.51 6.28 0.09 3.03 1.04 0.62 -2.12 113.70 125.15 1q3i s SER 583 Ca 0.07 0.42 0.09 0.00 0.48 0.00 0.00 55.95 57.02 1q3i s SER 583 Cb -0.14 -2.01 -0.03 0.00 0.10 0.00 0.00 66.02 63.94 1q3i s SER 583 CO -0.14 0.38 -0.24 -0.04 0.98 0.00 0.00 173.24 174.19 1q3i s MET 584 N -1.16 1.38 0.04 4.02 -1.94 0.08 0.53 119.30 122.25 1q3i s MET 584 Ca 0.17 -1.17 0.02 0.00 -1.71 0.00 0.00 55.69 53.00 1q3i s MET 584 Cb -0.12 -1.68 -0.04 0.00 2.01 0.00 0.00 34.83 35.00 1q3i s MET 584 CO 0.06 0.41 0.04 -1.50 -0.01 0.00 0.00 175.02 174.02 1q3i s ILE 585 N -1.00 4.36 -2.12 2.53 2.07 -0.37 -1.17 121.20 125.50 1q3i s ILE 585 Ca 0.10 -0.70 0.29 0.00 -1.41 0.00 0.00 60.65 58.93 1q3i s ILE 585 Cb -0.10 -3.03 0.64 0.00 0.13 0.00 0.00 42.46 40.10 1q3i s ILE 585 CO 0.04 0.23 1.93 -0.90 -1.91 0.00 0.00 174.94 174.33 1q3i n ASP 586 N 0.87 0.76 -3.19 4.50 3.85 -1.26 -2.92 116.55 119.15 1q3i n ASP 586 Ca -0.11 -1.11 -0.09 0.00 -0.71 0.00 0.00 54.79 52.77 1q3i n ASP 586 Cb 0.52 -0.01 0.01 0.00 -1.35 0.00 0.00 41.12 40.29 1q3i n ASP 586 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 1q3i s HIS 587 N -2.12 0.09 0.26 2.11 -3.43 -1.26 -3.52 115.29 107.42 1q3i s HIS 587 Ca 0.39 -0.69 -0.04 0.00 -0.80 0.00 0.00 55.06 53.92 1q3i s HIS 587 Cb 0.21 0.75 -0.02 0.00 -1.43 0.00 0.00 32.58 32.09 1q3i s HIS 587 CO 0.38 -1.46 0.32 -3.38 -2.00 0.00 0.00 174.74 168.61 1q3i s HIS 588 N -2.78 0.99 0.00 0.38 -3.43 -1.26 -5.01 115.29 104.18 1q3i s HIS 588 Ca 0.15 -1.21 0.00 0.00 -0.80 0.00 0.00 55.06 53.20 1q3i s HIS 588 Cb -0.05 -0.26 0.00 0.00 -1.43 0.00 0.00 32.58 30.84 1q3i s HIS 588 CO 0.11 -0.88 0.00 0.72 -2.00 0.00 0.00 174.74 172.69 1q3i n HIS 589 N -0.41 0.00 -4.01 0.38 8.25 -1.26 -5.12 115.22 113.05 1q3i n HIS 589 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1q3i n HIS 589 Cb 0.63 0.03 -0.03 0.00 1.12 0.00 0.00 29.99 31.74 1q3i n HIS 589 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1q3i s HIS 590 N -1.84 0.69 0.03 4.41 -3.43 -1.26 -5.18 115.29 108.71 1q3i s HIS 590 Ca 0.00 -1.04 0.06 0.00 -0.80 0.00 0.00 55.06 53.27 1q3i s HIS 590 Cb 0.00 0.16 -0.02 0.00 -1.43 0.00 0.00 32.58 31.29 1q3i s HIS 590 CO 0.00 -1.18 -0.16 -1.01 -2.00 0.00 0.00 174.74 170.39 1q3i s HIS 591 N -3.19 1.43 0.00 0.38 0.09 -1.26 -5.18 115.29 107.56 1q3i s HIS 591 Ca 0.25 -0.34 0.00 0.00 -0.00 0.00 0.00 55.06 54.97 1q3i s HIS 591 Cb -0.01 -0.86 0.00 0.00 -0.00 0.00 0.00 32.58 31.70 1q3i s HIS 591 CO 0.15 0.04 0.38 0.72 -0.00 0.00 0.00 174.74 176.04