#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr8 h PHE 418 N 0.00 0.23 0.00 2.61 3.57 -1.98 -3.28 116.94 118.09 2qr8 h PHE 418 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2qr8 h PHE 418 Cb 0.00 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.67 2qr8 h PHE 418 CO 0.00 0.29 0.00 0.25 -2.23 0.00 0.00 178.31 176.62 2qr8 n THR 419 N -4.88 0.68 0.21 4.41 -2.24 -1.26 -2.12 114.28 109.08 2qr8 n THR 419 Ca -0.05 -0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.79 2qr8 n THR 419 Cb 0.11 -0.85 0.44 0.00 -2.10 0.00 0.00 70.33 67.93 2qr8 n THR 419 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2qr8 h ASP 420 N 0.00 0.00 0.00 3.42 3.32 -2.04 -3.29 116.42 117.83 2qr8 h ASP 420 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qr8 h ASP 420 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 2qr8 h ASP 420 CO 0.00 0.30 -1.65 0.61 -1.72 0.00 0.00 179.24 176.78 2qr8 n GLY 421 N -0.04 -0.65 3.05 2.75 0.00 -0.90 -4.97 105.19 104.42 2qr8 n GLY 421 Ca -0.01 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 2qr8 n GLY 421 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qr8 s TYR 422 N -2.99 0.93 -0.24 1.61 1.51 -0.90 -1.14 117.35 116.14 2qr8 s TYR 422 Ca -0.05 -0.18 -0.12 0.00 -1.01 0.00 0.00 57.07 55.71 2qr8 s TYR 422 Cb 0.09 -0.60 -0.05 0.00 -0.11 0.00 0.00 41.96 41.29 2qr8 s TYR 422 CO 0.59 -0.02 0.23 -2.00 -1.11 0.00 0.00 175.55 173.25 2qr8 s GLU 423 N -0.25 4.07 0.18 -0.62 2.12 -0.34 -4.39 118.70 119.49 2qr8 s GLU 423 Ca 0.04 -0.16 -0.29 0.00 0.36 0.00 0.00 54.97 54.93 2qr8 s GLU 423 Cb -0.04 -3.56 -0.08 0.00 0.26 0.00 0.00 34.13 30.71 2qr8 s GLU 423 CO -0.00 -0.02 0.89 0.08 -0.54 0.00 0.00 175.26 175.67 2qr8 s VAL 424 N 1.28 4.27 0.00 3.70 1.01 -1.26 -0.88 120.40 128.51 2qr8 s VAL 424 Ca 0.10 1.96 0.00 0.00 0.00 0.00 0.00 61.98 64.05 2qr8 s VAL 424 Cb -0.14 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2qr8 s VAL 424 CO 0.06 0.46 0.00 0.29 0.00 0.00 0.00 175.10 175.92 2qr8 n LYS 425 N 1.84 1.69 -2.99 2.72 4.76 -0.01 -4.96 118.16 121.22 2qr8 n LYS 425 Ca -0.02 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.19 2qr8 n LYS 425 Cb 0.48 0.00 0.01 0.00 -1.84 0.00 0.00 35.03 33.68 2qr8 n LYS 425 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 2qr8 s GLU 426 N 4.63 3.02 0.22 1.97 4.04 -1.26 -4.64 118.70 126.69 2qr8 s GLU 426 Ca 0.00 -0.55 -0.30 0.00 0.04 0.00 0.00 54.97 54.16 2qr8 s GLU 426 Cb 0.00 -2.57 -0.09 0.00 0.02 0.00 0.00 34.13 31.49 2qr8 s GLU 426 CO 0.00 -0.29 1.32 -0.51 -1.84 0.00 0.00 175.26 173.94 2qr8 s ASP 427 N -4.23 6.87 0.00 0.83 1.01 -1.26 -1.06 116.67 118.82 2qr8 s ASP 427 Ca 0.49 2.45 0.21 0.00 0.71 0.00 0.00 52.55 56.41 2qr8 s ASP 427 Cb -0.10 -2.61 -0.19 0.00 1.01 0.00 0.00 42.92 41.03 2qr8 s ASP 427 CO 0.37 -0.54 0.94 -0.38 0.21 0.00 0.00 175.17 175.77 2qr8 n ILE 428 N 2.42 0.00 0.00 0.77 5.41 0.14 -4.82 119.36 123.27 2qr8 n ILE 428 Ca 0.06 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2qr8 n ILE 428 Cb 0.42 1.05 0.00 0.00 -0.71 0.00 0.00 39.64 40.40 2qr8 n ILE 428 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qr8 n GLY 429 N 1.49 2.62 3.06 7.39 0.00 -1.15 -4.97 105.19 113.63 2qr8 n GLY 429 Ca 0.05 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 2qr8 n GLY 429 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr8 s VAL 430 N -0.23 0.52 0.22 1.61 1.01 -1.26 -0.05 120.40 122.22 2qr8 s VAL 430 Ca 0.00 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.77 2qr8 s VAL 430 Cb 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.74 2qr8 s VAL 430 CO 0.00 -0.43 0.43 0.61 0.00 0.00 0.00 175.10 175.71 2qr8 n GLY 431 N 1.35 1.53 0.00 4.51 0.00 -1.07 -5.02 105.19 106.50 2qr8 n GLY 431 Ca -0.22 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 44.72 2qr8 n GLY 431 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qr8 n SER 432 N -1.35 0.00 -0.00 1.61 7.64 -1.26 -4.06 113.62 116.19 2qr8 n SER 432 Ca -0.04 0.33 -0.00 0.00 1.01 0.00 0.00 58.87 60.16 2qr8 n SER 432 Cb 0.33 -0.43 -0.01 0.00 -1.01 0.00 0.00 64.21 63.10 2qr8 n SER 432 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2qr8 n TYR 433 N -1.43 0.00 -3.76 1.43 4.02 -1.26 -5.05 117.16 111.11 2qr8 n TYR 433 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.86 2qr8 n TYR 433 Cb 0.23 -0.04 -0.05 0.00 -0.02 0.00 0.00 39.34 39.46 2qr8 n TYR 433 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2qr8 s SER 434 N -3.24 -0.16 -0.02 7.72 1.04 -1.26 -3.34 113.70 114.43 2qr8 s SER 434 Ca -0.01 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.94 2qr8 s SER 434 Cb 0.00 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 2qr8 s SER 434 CO 0.04 -0.94 -0.15 -0.69 0.98 0.00 0.00 173.24 172.48 2qr8 s VAL 435 N -3.87 1.18 -0.15 5.02 1.01 0.17 -2.59 120.40 121.17 2qr8 s VAL 435 Ca 0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 2qr8 s VAL 435 Cb 0.01 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 2qr8 s VAL 435 CO -0.06 0.34 -0.08 0.00 0.00 0.00 0.00 175.10 175.30 2qr8 s LYS 437 N 0.40 0.96 0.46 0.00 1.02 0.09 0.25 119.74 122.92 2qr8 s LYS 437 Ca -0.07 -1.14 -0.21 0.00 0.02 0.00 0.00 55.97 54.57 2qr8 s LYS 437 Cb -0.15 -0.91 -0.09 0.00 -0.52 0.00 0.00 37.83 36.16 2qr8 s LYS 437 CO 0.04 0.19 1.04 0.50 -0.92 0.00 0.00 175.35 176.20 2qr8 s ARG 438 N -2.30 3.91 0.18 1.68 3.52 -0.23 -0.11 118.95 125.60 2qr8 s ARG 438 Ca 0.05 1.39 -0.04 0.00 -0.13 0.00 0.00 55.73 57.00 2qr8 s ARG 438 Cb -0.07 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 31.08 2qr8 s ARG 438 CO 0.03 -0.34 0.18 0.00 -0.81 0.00 0.00 175.30 174.36 2qr8 s ILE 440 N -4.08 1.77 -0.39 0.00 1.01 -0.06 -1.07 121.20 118.39 2qr8 s ILE 440 Ca 0.29 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.80 2qr8 s ILE 440 Cb 0.05 -1.55 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 2qr8 s ILE 440 CO 0.07 0.50 1.73 -2.28 0.00 0.00 0.00 174.94 174.96 2qr8 s HIS 441 N 0.38 1.90 0.33 3.97 5.65 0.55 -1.20 115.29 126.88 2qr8 s HIS 441 Ca -0.16 0.66 0.08 0.00 0.25 0.00 0.00 55.06 55.88 2qr8 s HIS 441 Cb -0.17 -4.16 0.78 0.00 -1.18 0.00 0.00 32.58 27.85 2qr8 s HIS 441 CO 0.07 -2.65 1.83 -0.22 -0.65 0.00 0.00 174.74 173.12 2qr8 h LYS 442 N 12.78 0.71 -0.08 2.88 3.64 -1.46 0.18 116.57 135.22 2qr8 h LYS 442 Ca -0.31 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.89 2qr8 h LYS 442 Cb 1.15 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.80 2qr8 h LYS 442 CO 1.07 0.47 -0.54 0.00 -2.27 0.00 0.00 179.45 178.19 2qr8 h ALA 443 N 1.60 0.94 0.00 5.00 0.00 -1.90 -3.37 119.26 121.54 2qr8 h ALA 443 Ca 0.50 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qr8 h ALA 443 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2qr8 h ALA 443 CO -0.27 0.68 0.00 0.25 0.00 0.00 0.00 179.25 179.91 2qr8 n THR 444 N -3.92 0.00 -2.26 0.00 -2.24 -0.62 -5.01 114.28 100.23 2qr8 n THR 444 Ca -0.02 -0.47 -0.20 0.00 -2.27 0.00 0.00 64.05 61.09 2qr8 n THR 444 Cb 0.57 1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 2qr8 n THR 444 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2qr8 n ASN 445 N -0.83 -5.53 -4.82 3.42 5.03 0.53 -5.00 115.26 108.07 2qr8 n ASN 445 Ca 0.00 0.10 -0.38 0.00 0.87 0.00 0.00 54.58 55.17 2qr8 n ASN 445 Cb 0.00 -4.66 -0.06 0.00 -1.02 0.00 0.00 39.78 34.04 2qr8 n ASN 445 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2qr8 s MET 446 N -4.81 4.11 0.04 3.52 -1.94 -1.25 -4.88 119.30 114.10 2qr8 s MET 446 Ca 0.00 0.64 -0.18 0.00 -1.71 0.00 0.00 55.69 54.44 2qr8 s MET 446 Cb 0.00 -3.20 -0.06 0.00 2.01 0.00 0.00 34.83 33.58 2qr8 s MET 446 CO 0.00 0.63 0.51 -1.21 -0.01 0.00 0.00 175.02 174.95 2qr8 s GLU 447 N -1.20 4.11 0.26 2.03 2.02 -1.26 -0.33 118.70 124.33 2qr8 s GLU 447 Ca 0.29 0.62 0.02 0.00 0.02 0.00 0.00 54.97 55.92 2qr8 s GLU 447 Cb -0.18 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 2qr8 s GLU 447 CO 0.18 0.64 0.16 -0.06 0.02 0.00 0.00 175.26 176.19 2qr8 s PHE 448 N -1.02 1.45 -0.06 1.61 0.40 -0.23 -4.45 117.98 115.67 2qr8 s PHE 448 Ca 0.27 -1.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.18 2qr8 s PHE 448 Cb -0.18 -0.72 -0.04 0.00 0.51 0.00 0.00 43.02 42.59 2qr8 s PHE 448 CO 0.17 -0.60 0.05 0.00 0.70 0.00 0.00 175.22 175.54 2qr8 s ALA 449 N -3.81 3.49 -0.15 5.36 0.00 -0.71 -1.10 121.76 124.84 2qr8 s ALA 449 Ca 0.38 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2qr8 s ALA 449 Cb 0.06 -1.59 0.01 0.00 0.00 0.00 0.00 23.12 21.60 2qr8 s ALA 449 CO 0.17 0.63 -0.22 0.54 0.00 0.00 0.00 175.76 176.88 2qr8 s VAL 450 N -1.02 2.06 -0.30 0.00 0.11 0.84 -1.09 120.40 121.01 2qr8 s VAL 450 Ca 0.17 -0.97 -0.19 0.00 -2.93 0.00 0.00 61.98 58.06 2qr8 s VAL 450 Cb -0.12 -1.83 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 2qr8 s VAL 450 CO 0.07 0.55 0.55 -0.75 -3.33 0.00 0.00 175.10 172.18 2qr8 s LYS 451 N 0.88 3.88 -0.31 1.54 2.20 -0.52 -0.73 119.74 126.68 2qr8 s LYS 451 Ca -0.05 0.17 -0.09 0.00 -0.36 0.00 0.00 55.97 55.64 2qr8 s LYS 451 Cb -0.15 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2qr8 s LYS 451 CO -0.03 -0.51 0.13 0.42 -0.36 0.00 0.00 175.35 175.00 2qr8 s ILE 452 N 2.43 4.35 -0.19 5.43 1.01 0.19 -1.09 121.20 133.33 2qr8 s ILE 452 Ca 0.22 -0.58 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2qr8 s ILE 452 Cb -0.15 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.03 2qr8 s ILE 452 CO 0.11 0.04 0.03 -0.63 0.00 0.00 0.00 174.94 174.49 2qr8 s ILE 453 N 1.56 4.32 -0.34 2.92 1.01 -0.57 -0.65 121.20 129.45 2qr8 s ILE 453 Ca 0.03 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.21 2qr8 s ILE 453 Cb -0.17 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 2qr8 s ILE 453 CO 0.05 0.44 1.70 -0.62 0.00 0.00 0.00 174.94 176.50 2qr8 s ASP 454 N 0.71 6.04 0.52 3.58 -1.08 -1.21 -1.50 116.67 123.73 2qr8 s ASP 454 Ca 0.01 1.23 0.28 0.00 -0.52 0.00 0.00 52.55 53.55 2qr8 s ASP 454 Cb -0.14 -2.53 1.43 0.00 -1.46 0.00 0.00 42.92 40.23 2qr8 s ASP 454 CO 0.02 -1.60 2.06 0.11 0.52 0.00 0.00 175.17 176.28 2qr8 h LYS 455 N 12.18 0.00 -0.17 4.34 1.57 -1.21 -1.47 116.57 131.80 2qr8 h LYS 455 Ca -0.32 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.32 2qr8 h LYS 455 Cb 1.15 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2qr8 h LYS 455 CO 1.04 0.12 -0.48 0.66 -0.57 0.00 0.00 179.45 180.22 2qr8 h SER 456 N 0.00 0.48 0.44 0.86 4.64 -1.91 -3.29 113.55 114.78 2qr8 h SER 456 Ca -0.00 -0.24 -0.31 0.00 -0.47 0.00 0.00 61.79 60.77 2qr8 h SER 456 Cb 0.36 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2qr8 h SER 456 CO 0.02 0.89 -1.53 0.11 -0.87 0.00 0.00 176.83 175.45 2qr8 h LYS 457 N 0.36 0.27 -2.78 4.77 6.56 -1.72 -3.48 116.57 120.55 2qr8 h LYS 457 Ca 0.02 -0.46 -0.10 0.00 -1.06 0.00 0.00 60.65 59.04 2qr8 h LYS 457 Cb 0.98 0.17 -0.20 0.00 -0.57 0.00 0.00 32.23 32.62 2qr8 h LYS 457 CO 0.09 1.15 -0.16 0.50 -2.06 0.00 0.00 179.45 178.96 2qr8 s ARG 458 N -2.62 0.77 -0.44 3.15 3.52 -0.63 -5.09 118.95 117.61 2qr8 s ARG 458 Ca -0.09 -0.08 -0.08 0.00 -0.13 0.00 0.00 55.73 55.35 2qr8 s ARG 458 Cb 0.07 0.35 0.10 0.00 -1.56 0.00 0.00 34.95 33.91 2qr8 s ARG 458 CO 0.86 -0.22 0.28 0.34 -0.81 0.00 0.00 175.30 175.74 2qr8 s ASP 459 N -1.30 5.56 0.00 -2.12 3.68 -1.26 -4.16 116.67 117.06 2qr8 s ASP 459 Ca -0.13 -1.80 0.14 0.00 2.13 0.00 0.00 52.55 52.89 2qr8 s ASP 459 Cb -0.04 -1.95 0.71 0.00 -1.45 0.00 0.00 42.92 40.19 2qr8 s ASP 459 CO 0.06 -0.60 1.47 -0.81 0.13 0.00 0.00 175.17 175.42 2qr8 n PRO 460 N 4.83 1.19 -0.25 4.34 -0.04 -1.26 -4.39 135.00 139.43 2qr8 n PRO 460 Ca -0.07 -0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.13 2qr8 n PRO 460 Cb 0.42 -1.24 0.16 0.00 -0.04 0.00 0.00 33.50 32.80 2qr8 n PRO 460 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2qr8 h THR 461 N 0.55 0.72 -0.11 0.52 2.02 -1.99 -1.13 112.91 113.50 2qr8 h THR 461 Ca 0.00 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 2qr8 h THR 461 Cb 0.12 0.20 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2qr8 h THR 461 CO 0.00 0.09 0.03 -0.08 0.37 0.00 0.00 175.52 175.93 2qr8 h GLU 462 N 0.48 0.18 -0.28 6.66 4.57 -1.95 -0.36 114.58 123.88 2qr8 h GLU 462 Ca 0.38 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.56 2qr8 h GLU 462 Cb 0.52 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 2qr8 h GLU 462 CO -0.35 0.34 0.05 1.49 -1.18 0.00 0.00 179.01 179.36 2qr8 h GLU 463 N -0.02 0.14 -0.13 1.92 4.81 -1.70 -0.58 114.58 119.02 2qr8 h GLU 463 Ca 0.04 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2qr8 h GLU 463 Cb 0.25 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 2qr8 h GLU 463 CO 0.00 0.10 -0.02 0.82 -0.73 0.00 0.00 179.01 179.18 2qr8 h ILE 464 N 0.15 1.27 -0.53 2.32 2.04 -1.07 -1.88 117.51 119.81 2qr8 h ILE 464 Ca 0.13 -0.90 0.11 0.00 1.00 0.00 0.00 64.86 65.20 2qr8 h ILE 464 Cb 0.14 1.60 -0.10 0.00 -0.74 0.00 0.00 36.82 37.73 2qr8 h ILE 464 CO -0.18 0.26 -0.08 -0.33 0.00 0.00 0.00 178.15 177.82 2qr8 h GLU 465 N -0.04 0.04 -0.19 2.37 5.08 -0.96 -1.39 114.58 119.49 2qr8 h GLU 465 Ca 0.04 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2qr8 h GLU 465 Cb 0.41 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2qr8 h GLU 465 CO 0.01 0.03 0.09 0.82 -1.00 0.00 0.00 179.01 178.96 2qr8 h ILE 466 N 0.04 1.00 0.00 3.13 2.04 -0.81 -1.18 117.51 121.72 2qr8 h ILE 466 Ca 0.26 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 66.00 2qr8 h ILE 466 Cb 0.41 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2qr8 h ILE 466 CO -0.51 0.04 -0.29 -0.07 0.00 0.00 0.00 178.15 177.32 2qr8 h LEU 467 N 0.20 0.00 -0.08 1.44 3.38 -0.97 -0.70 115.31 118.57 2qr8 h LEU 467 Ca 0.08 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 2qr8 h LEU 467 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.77 2qr8 h LEU 467 CO -0.05 0.29 -0.44 -0.07 0.09 0.00 0.00 178.44 178.25 2qr8 h LEU 468 N 0.00 0.53 -0.07 1.67 3.38 -0.88 -1.43 115.31 118.51 2qr8 h LEU 468 Ca -0.00 -0.65 -0.25 0.00 0.09 0.00 0.00 57.88 57.06 2qr8 h LEU 468 Cb 0.52 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 41.13 2qr8 h LEU 468 CO 0.04 1.10 -0.97 -0.09 0.09 0.00 0.00 178.44 178.61 2qr8 h ARG 469 N -0.01 0.69 -0.00 1.13 2.43 -1.03 -3.39 114.38 114.20 2qr8 h ARG 469 Ca -0.03 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.45 2qr8 h ARG 469 Cb 1.09 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.83 2qr8 h ARG 469 CO 0.09 1.28 -0.05 0.66 -1.51 0.00 0.00 179.97 180.44 2qr8 n TYR 470 N -3.86 0.00 0.66 2.20 4.01 -0.29 -4.67 117.16 115.21 2qr8 n TYR 470 Ca -0.10 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.77 2qr8 n TYR 470 Cb 0.84 0.00 0.47 0.00 -0.31 0.00 0.00 39.34 40.34 2qr8 n TYR 470 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qr8 n GLY 471 N 0.54 -1.48 0.08 2.72 0.00 -0.54 -1.94 105.19 104.58 2qr8 n GLY 471 Ca 0.01 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.08 2qr8 n GLY 471 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qr8 n GLN 472 N -1.96 0.08 -1.73 1.61 6.02 -1.26 -4.24 117.38 115.90 2qr8 n GLN 472 Ca 0.05 0.48 -0.42 0.00 -0.01 0.00 0.00 57.00 57.10 2qr8 n GLN 472 Cb 0.33 -1.72 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 2qr8 n GLN 472 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2qr8 n HIS 473 N -1.89 2.75 0.31 1.08 -0.00 -0.82 -4.87 115.22 111.79 2qr8 n HIS 473 Ca 0.01 0.27 0.18 0.00 0.46 0.00 0.00 57.72 58.64 2qr8 n HIS 473 Cb 0.09 -2.58 0.99 0.00 -0.12 0.00 0.00 29.99 28.37 2qr8 n HIS 473 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qr8 h PRO 474 N 4.76 0.00 -0.11 1.57 0.13 -1.91 -2.80 132.00 133.63 2qr8 h PRO 474 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2qr8 h PRO 474 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2qr8 h PRO 474 CO 0.79 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.68 2qr8 n ASN 475 N -3.37 2.87 -4.57 1.44 4.13 -1.26 -4.87 115.26 109.63 2qr8 n ASN 475 Ca -0.02 -2.88 -0.32 0.00 1.68 0.00 0.00 54.58 53.04 2qr8 n ASN 475 Cb 0.13 -0.41 -0.11 0.00 -1.54 0.00 0.00 39.78 37.86 2qr8 n ASN 475 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2qr8 s ILE 476 N -2.53 3.56 0.23 2.41 1.01 -1.06 -0.17 121.20 124.64 2qr8 s ILE 476 Ca 0.31 -0.73 -0.32 0.00 0.00 0.00 0.00 60.65 59.92 2qr8 s ILE 476 Cb 0.26 -2.51 -0.13 0.00 0.01 0.00 0.00 42.46 40.09 2qr8 s ILE 476 CO 0.06 0.45 1.51 0.00 0.00 0.00 0.00 174.94 176.96 2qr8 n ILE 477 N 1.77 0.68 -3.29 2.92 3.06 -0.60 -4.74 119.36 119.16 2qr8 n ILE 477 Ca -0.16 -0.17 -0.38 0.00 -2.50 0.00 0.00 62.75 59.54 2qr8 n ILE 477 Cb 0.53 -1.63 -0.06 0.00 0.54 0.00 0.00 39.64 39.02 2qr8 n ILE 477 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 2qr8 s THR 478 N 0.27 5.04 0.11 9.51 2.01 -1.26 -4.68 115.64 126.64 2qr8 s THR 478 Ca 0.70 1.07 -0.30 0.00 0.31 0.00 0.00 61.69 63.48 2qr8 s THR 478 Cb -0.61 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 67.98 2qr8 s THR 478 CO 0.45 0.40 0.95 -0.22 -0.69 0.00 0.00 174.62 175.51 2qr8 s LEU 479 N 0.00 4.50 -0.07 4.42 2.96 -1.26 -2.07 118.68 127.16 2qr8 s LEU 479 Ca 0.28 1.77 0.03 0.00 -0.22 0.00 0.00 54.13 55.99 2qr8 s LEU 479 Cb -0.17 -3.56 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 2qr8 s LEU 479 CO 0.14 -0.06 -0.01 0.29 -1.32 0.00 0.00 176.35 175.39 2qr8 n LYS 480 N 2.78 1.89 -3.56 1.98 4.76 0.58 -4.94 118.16 121.64 2qr8 n LYS 480 Ca 0.02 0.02 -0.14 0.00 -2.87 0.00 0.00 58.31 55.33 2qr8 n LYS 480 Cb 0.49 -1.15 -0.05 0.00 -1.84 0.00 0.00 35.03 32.48 2qr8 n LYS 480 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2qr8 s ASP 481 N -4.14 -0.48 -0.02 4.39 -0.00 -1.07 -5.01 116.67 110.34 2qr8 s ASP 481 Ca -0.06 0.26 0.03 0.00 -0.00 0.00 0.00 52.55 52.78 2qr8 s ASP 481 Cb 0.02 0.50 -0.00 0.00 -0.00 0.00 0.00 42.92 43.44 2qr8 s ASP 481 CO 0.22 -0.71 -0.10 -0.69 -0.00 0.00 0.00 175.17 173.89 2qr8 s VAL 482 N -2.26 0.82 0.13 -1.27 1.01 -1.26 -0.87 120.40 116.69 2qr8 s VAL 482 Ca -0.06 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.58 2qr8 s VAL 482 Cb -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.62 2qr8 s VAL 482 CO -0.00 0.25 -0.17 -0.31 0.00 0.00 0.00 175.10 174.87 2qr8 s TYR 483 N 0.01 1.61 -0.09 5.22 2.02 -0.44 -4.98 117.35 120.71 2qr8 s TYR 483 Ca -0.00 -0.50 -0.03 0.00 -0.37 0.00 0.00 57.07 56.17 2qr8 s TYR 483 Cb -0.07 -0.84 0.04 0.00 -0.40 0.00 0.00 41.96 40.70 2qr8 s TYR 483 CO 0.00 0.22 0.09 0.34 -1.57 0.00 0.00 175.55 174.63 2qr8 s ASP 484 N -2.42 1.42 -0.38 2.29 -1.08 -1.26 -0.06 116.67 115.19 2qr8 s ASP 484 Ca 0.11 -0.08 0.08 0.00 -0.52 0.00 0.00 52.55 52.13 2qr8 s ASP 484 Cb -0.06 -0.09 0.72 0.00 -1.46 0.00 0.00 42.92 42.03 2qr8 s ASP 484 CO 0.05 -0.28 1.86 -0.90 0.52 0.00 0.00 175.17 176.41 2qr8 n ASP 485 N 5.30 4.44 0.00 -0.34 5.75 -0.99 -4.91 116.55 125.79 2qr8 n ASP 485 Ca -0.04 -3.38 0.00 0.00 -0.01 0.00 0.00 54.79 51.36 2qr8 n ASP 485 Cb 0.50 -0.79 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2qr8 n ASP 485 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qr8 n GLY 486 N -0.54 2.25 0.31 6.12 0.00 -1.26 -4.70 105.19 107.38 2qr8 n GLY 486 Ca 0.49 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2qr8 n GLY 486 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qr8 n LYS 487 N 0.00 0.38 -4.21 1.61 4.81 -1.26 -4.90 118.16 114.59 2qr8 n LYS 487 Ca 0.00 0.13 -0.30 0.00 -0.87 0.00 0.00 58.31 57.27 2qr8 n LYS 487 Cb 0.00 -1.20 -0.09 0.00 0.02 0.00 0.00 35.03 33.76 2qr8 n LYS 487 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2qr8 s TYR 488 N -2.32 2.83 -0.04 5.64 1.51 -1.26 -0.96 117.35 122.74 2qr8 s TYR 488 Ca -0.23 -0.11 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2qr8 s TYR 488 Cb 0.08 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.41 2qr8 s TYR 488 CO 0.33 0.44 0.09 0.08 -1.11 0.00 0.00 175.55 175.38 2qr8 s VAL 489 N -1.23 4.90 -0.27 0.71 1.01 -0.56 -2.35 120.40 122.61 2qr8 s VAL 489 Ca 0.23 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2qr8 s VAL 489 Cb -0.11 -3.19 0.06 0.00 0.00 0.00 0.00 36.38 33.14 2qr8 s VAL 489 CO 0.15 0.45 -0.09 -0.31 0.00 0.00 0.00 175.10 175.30 2qr8 s TYR 490 N -1.12 3.27 -0.44 5.22 1.51 0.91 -1.50 117.35 125.20 2qr8 s TYR 490 Ca 0.20 -2.25 -0.12 0.00 -1.01 0.00 0.00 57.07 53.89 2qr8 s TYR 490 Cb -0.12 -1.96 0.07 0.00 -0.11 0.00 0.00 41.96 39.85 2qr8 s TYR 490 CO 0.10 -0.87 0.31 0.08 -1.11 0.00 0.00 175.55 174.07 2qr8 s VAL 491 N 1.13 4.67 -0.16 0.71 1.01 -0.25 -1.32 120.40 126.19 2qr8 s VAL 491 Ca -0.08 -1.23 -0.16 0.00 0.00 0.00 0.00 61.98 60.51 2qr8 s VAL 491 Cb -0.20 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2qr8 s VAL 491 CO -0.04 -0.52 0.40 -0.69 0.00 0.00 0.00 175.10 174.24 2qr8 s VAL 492 N 1.52 5.23 0.34 2.92 1.01 -0.05 -1.44 120.40 129.93 2qr8 s VAL 492 Ca 0.03 0.76 0.04 0.00 0.00 0.00 0.00 61.98 62.81 2qr8 s VAL 492 Cb -0.23 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2qr8 s VAL 492 CO 0.04 0.32 0.14 0.42 0.00 0.00 0.00 175.10 176.03 2qr8 s THR 493 N 0.79 0.49 0.41 3.92 -4.23 -0.25 -0.31 115.64 116.47 2qr8 s THR 493 Ca 0.21 -2.00 -0.26 0.00 -1.18 0.00 0.00 61.69 58.46 2qr8 s THR 493 Cb -0.14 -2.49 -0.08 0.00 1.34 0.00 0.00 72.50 71.13 2qr8 s THR 493 CO 0.07 0.00 1.25 -1.83 -0.54 0.00 0.00 174.62 173.57 2qr8 s GLU 494 N -3.77 3.98 -0.10 3.99 -1.05 -0.88 -1.73 118.70 119.13 2qr8 s GLU 494 Ca 0.32 2.03 -0.25 0.00 -0.15 0.00 0.00 54.97 56.92 2qr8 s GLU 494 Cb 0.04 -2.71 -0.03 0.00 -0.44 0.00 0.00 34.13 31.00 2qr8 s GLU 494 CO 0.17 -0.44 0.78 -1.17 0.95 0.00 0.00 175.26 175.55 2qr8 s LEU 495 N -2.49 4.26 -0.20 1.83 2.96 -1.26 -4.44 118.68 119.35 2qr8 s LEU 495 Ca 0.57 1.23 -0.27 0.00 -0.22 0.00 0.00 54.13 55.44 2qr8 s LEU 495 Cb -0.35 -3.20 -0.00 0.00 0.50 0.00 0.00 46.19 43.14 2qr8 s LEU 495 CO 0.45 -0.25 0.95 -0.04 -1.32 0.00 0.00 176.35 176.14 2qr8 s MET 496 N 1.39 4.28 0.00 1.98 -1.94 -1.26 -4.89 119.30 118.86 2qr8 s MET 496 Ca 0.39 1.22 0.08 0.00 -1.71 0.00 0.00 55.69 55.67 2qr8 s MET 496 Cb -0.18 -3.61 0.10 0.00 2.01 0.00 0.00 34.83 33.15 2qr8 s MET 496 CO 0.17 -0.49 0.86 1.63 -0.01 0.00 0.00 175.02 177.18 2qr8 n LYS 497 N 5.80 0.81 -0.00 2.03 5.02 -0.28 -4.62 118.16 126.91 2qr8 n LYS 497 Ca 0.09 -1.20 0.09 0.00 -2.02 0.00 0.00 58.31 55.26 2qr8 n LYS 497 Cb 0.47 -1.16 0.08 0.00 -0.02 0.00 0.00 35.03 34.40 2qr8 n LYS 497 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qr8 n GLY 498 N 0.38 0.43 1.11 0.72 0.00 0.22 -4.68 105.19 103.37 2qr8 n GLY 498 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 46.02 45.56 2qr8 n GLY 498 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qr8 n GLY 499 N 1.02 -2.21 3.76 -0.02 0.00 -1.24 -4.50 105.19 102.01 2qr8 n GLY 499 Ca 0.11 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 2qr8 n GLY 499 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qr8 s GLU 500 N -0.93 4.51 0.07 1.61 2.12 -1.26 -1.42 118.70 123.41 2qr8 s GLU 500 Ca 0.00 1.81 -0.18 0.00 0.36 0.00 0.00 54.97 56.96 2qr8 s GLU 500 Cb 0.00 -3.06 -0.11 0.00 0.26 0.00 0.00 34.13 31.21 2qr8 s GLU 500 CO 0.00 0.10 1.40 1.25 -0.54 0.00 0.00 175.26 177.47 2qr8 h LEU 501 N 3.53 0.51 -0.49 2.70 6.46 -1.49 -2.47 115.31 124.06 2qr8 h LEU 501 Ca -0.47 -0.45 -0.15 0.00 -0.12 0.00 0.00 57.88 56.69 2qr8 h LEU 501 Cb 1.21 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.99 2qr8 h LEU 501 CO 0.66 0.85 -0.36 0.25 -0.62 0.00 0.00 178.44 179.22 2qr8 h LEU 502 N 0.18 0.90 -0.29 2.25 5.85 -1.83 -1.68 115.31 120.71 2qr8 h LEU 502 Ca 0.04 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2qr8 h LEU 502 Cb 0.69 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 2qr8 h LEU 502 CO 0.04 1.16 0.14 -0.78 -0.34 0.00 0.00 178.44 178.66 2qr8 h ASP 503 N 0.71 0.38 0.03 1.25 -0.00 -1.88 0.25 116.42 117.15 2qr8 h ASP 503 Ca 0.07 -0.12 0.00 0.00 -0.00 0.00 0.00 57.03 56.97 2qr8 h ASP 503 Cb 0.93 -0.10 -0.00 0.00 -0.00 0.00 0.00 39.33 40.16 2qr8 h ASP 503 CO 0.09 0.39 -0.03 0.11 -0.00 0.00 0.00 179.24 179.81 2qr8 h LYS 504 N 0.33 -0.06 -0.92 0.28 1.79 -1.22 -2.57 116.57 114.20 2qr8 h LYS 504 Ca 0.10 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.67 2qr8 h LYS 504 Cb 0.12 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.71 2qr8 h LYS 504 CO -0.01 -0.04 0.60 0.82 -1.08 0.00 0.00 179.45 179.74 2qr8 h ILE 505 N -0.06 0.98 0.00 1.86 2.04 -1.11 -1.69 117.51 119.53 2qr8 h ILE 505 Ca 0.00 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2qr8 h ILE 505 Cb 0.06 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.09 2qr8 h ILE 505 CO -0.01 0.17 -0.01 -0.07 0.00 0.00 0.00 178.15 178.24 2qr8 h LEU 506 N 0.95 0.00 -1.68 1.44 3.38 -0.70 -2.80 115.31 115.89 2qr8 h LEU 506 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 2qr8 h LEU 506 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2qr8 h LEU 506 CO -0.19 0.01 0.00 0.54 0.09 0.00 0.00 178.44 178.89 2qr8 n ARG 507 N -3.10 2.16 -3.12 1.13 1.74 -0.66 -4.76 116.66 110.04 2qr8 n ARG 507 Ca 0.00 -1.68 -0.44 0.00 -0.77 0.00 0.00 57.85 54.96 2qr8 n ARG 507 Cb 0.29 -1.47 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 2qr8 n ARG 507 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2qr8 s GLN 508 N -1.98 3.07 0.61 5.56 -0.21 -1.04 -4.96 119.66 120.71 2qr8 s GLN 508 Ca 0.31 -1.17 0.36 0.00 0.02 0.00 0.00 55.36 54.88 2qr8 s GLN 508 Cb 0.20 -4.21 1.97 0.00 1.00 0.00 0.00 33.01 31.97 2qr8 s GLN 508 CO 0.31 -1.44 2.25 0.87 -2.12 0.00 0.00 175.29 175.15 2qr8 h LYS 509 N 9.13 0.00 -0.43 2.91 6.56 -1.86 -2.78 116.57 130.10 2qr8 h LYS 509 Ca -0.29 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.30 2qr8 h LYS 509 Cb 1.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 2qr8 h LYS 509 CO 1.06 0.02 0.00 1.19 -2.06 0.00 0.00 179.45 179.66 2qr8 n PHE 510 N -3.42 1.09 -1.75 -1.35 3.01 -1.26 -4.68 117.46 109.10 2qr8 n PHE 510 Ca -0.02 -0.69 -0.41 0.00 1.01 0.00 0.00 57.45 57.34 2qr8 n PHE 510 Cb 0.13 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.36 2qr8 n PHE 510 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2qr8 n PHE 511 N 0.36 2.68 -4.35 1.38 7.35 -1.05 -4.26 117.46 119.57 2qr8 n PHE 511 Ca 0.21 0.48 -0.21 0.00 -0.76 0.00 0.00 57.45 57.17 2qr8 n PHE 511 Cb 0.80 -2.48 -0.11 0.00 0.35 0.00 0.00 39.48 38.05 2qr8 n PHE 511 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2qr8 s SER 512 N -0.27 2.74 0.29 -2.13 1.04 -1.26 -0.59 113.70 113.51 2qr8 s SER 512 Ca 0.56 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 56.09 2qr8 s SER 512 Cb -0.50 -0.16 0.69 0.00 0.10 0.00 0.00 66.02 66.15 2qr8 s SER 512 CO 0.62 -0.07 1.74 -0.33 0.98 0.00 0.00 173.24 176.17 2qr8 h GLU 513 N 2.91 0.55 -0.71 4.02 5.08 -1.79 -0.87 114.58 123.77 2qr8 h GLU 513 Ca -0.41 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2qr8 h GLU 513 Cb 1.22 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.30 2qr8 h GLU 513 CO 0.56 0.36 0.45 -0.09 -1.00 0.00 0.00 179.01 179.29 2qr8 h ARG 514 N 0.56 0.87 -0.39 2.33 2.43 -1.69 -0.74 114.38 117.75 2qr8 h ARG 514 Ca 0.55 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.56 2qr8 h ARG 514 Cb 0.93 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 2qr8 h ARG 514 CO -0.44 0.58 -0.16 0.93 -1.51 0.00 0.00 179.97 179.36 2qr8 h GLU 515 N 0.90 0.73 -0.36 0.20 4.39 -1.55 -2.47 114.58 116.41 2qr8 h GLU 515 Ca 0.28 -0.26 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 2qr8 h GLU 515 Cb -0.01 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2qr8 h GLU 515 CO -0.10 0.85 -0.22 0.00 -1.16 0.00 0.00 179.01 178.38 2qr8 h ALA 516 N 1.17 0.92 -0.33 3.43 0.00 -0.62 -1.82 119.26 122.01 2qr8 h ALA 516 Ca 0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 2qr8 h ALA 516 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qr8 h ALA 516 CO 0.04 0.62 -0.02 1.03 0.00 0.00 0.00 179.25 180.92 2qr8 h SER 517 N 0.63 0.58 -0.82 0.00 0.87 -1.09 -0.90 113.55 112.82 2qr8 h SER 517 Ca 0.09 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.37 2qr8 h SER 517 Cb 0.72 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 62.47 2qr8 h SER 517 CO 0.05 0.77 0.54 0.00 -0.53 0.00 0.00 176.83 177.66 2qr8 h ALA 518 N 0.84 1.53 -0.13 6.23 0.00 -1.26 0.16 119.26 126.64 2qr8 h ALA 518 Ca 0.09 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2qr8 h ALA 518 Cb 0.48 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2qr8 h ALA 518 CO 0.02 0.37 -0.14 0.28 0.00 0.00 0.00 179.25 179.78 2qr8 h VAL 519 N 0.98 1.36 -0.54 0.00 2.07 -1.15 -2.35 116.25 116.61 2qr8 h VAL 519 Ca 0.33 -1.32 -0.09 0.00 0.82 0.00 0.00 66.70 66.44 2qr8 h VAL 519 Cb 0.09 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2qr8 h VAL 519 CO -0.10 0.38 -0.01 0.25 0.02 0.00 0.00 177.57 178.11 2qr8 h LEU 520 N -0.07 0.91 -0.21 2.57 5.85 -0.96 -2.39 115.31 121.02 2qr8 h LEU 520 Ca 0.02 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.54 2qr8 h LEU 520 Cb 0.68 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 2qr8 h LEU 520 CO 0.04 0.98 -0.12 0.15 -0.34 0.00 0.00 178.44 179.14 2qr8 h PHE 521 N 0.86 -0.29 -0.79 1.25 3.57 -0.89 0.29 116.94 120.95 2qr8 h PHE 521 Ca 0.16 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 2qr8 h PHE 521 Cb 0.52 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 2qr8 h PHE 521 CO 0.03 -0.18 0.35 1.15 -2.23 0.00 0.00 178.31 177.43 2qr8 h THR 522 N -0.10 1.26 -0.07 4.41 2.02 -1.12 0.37 112.91 119.66 2qr8 h THR 522 Ca 0.12 -0.76 -0.22 0.00 0.77 0.00 0.00 66.41 66.31 2qr8 h THR 522 Cb 0.28 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 2qr8 h THR 522 CO -0.27 0.32 -0.82 0.40 0.37 0.00 0.00 175.52 175.52 2qr8 h ILE 523 N 1.13 1.30 -0.09 3.11 2.04 -1.15 -3.04 117.51 120.82 2qr8 h ILE 523 Ca 0.27 -2.06 -0.18 0.00 1.00 0.00 0.00 64.86 63.88 2qr8 h ILE 523 Cb 0.17 2.22 -0.00 0.00 -0.74 0.00 0.00 36.82 38.47 2qr8 h ILE 523 CO -0.03 0.64 -0.71 0.74 0.00 0.00 0.00 178.15 178.79 2qr8 h THR 524 N 0.36 1.37 -0.99 -0.27 2.02 -0.12 -2.44 112.91 112.84 2qr8 h THR 524 Ca -0.08 -2.09 0.17 0.00 0.77 0.00 0.00 66.41 65.18 2qr8 h THR 524 Cb 1.47 2.07 -0.09 0.00 -1.74 0.00 0.00 68.15 69.85 2qr8 h THR 524 CO 0.17 0.63 0.62 0.11 0.37 0.00 0.00 175.52 177.41 2qr8 h LYS 525 N 0.31 0.78 -0.19 6.66 1.79 -0.99 0.12 116.57 125.04 2qr8 h LYS 525 Ca -0.03 -0.05 -0.21 0.00 -2.18 0.00 0.00 60.65 58.18 2qr8 h LYS 525 Cb 1.29 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 31.77 2qr8 h LYS 525 CO 0.12 0.52 -0.72 1.15 -1.08 0.00 0.00 179.45 179.45 2qr8 h THR 526 N 0.80 1.27 -0.17 -0.16 2.02 -1.35 -2.70 112.91 112.63 2qr8 h THR 526 Ca 0.54 -1.90 -0.15 0.00 0.77 0.00 0.00 66.41 65.66 2qr8 h THR 526 Cb 0.78 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.07 2qr8 h THR 526 CO -0.31 0.61 -0.54 0.58 0.37 0.00 0.00 175.52 176.23 2qr8 h VAL 527 N 0.58 1.33 -0.31 3.16 2.07 -0.97 -1.97 116.25 120.13 2qr8 h VAL 527 Ca -0.04 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 65.71 2qr8 h VAL 527 Cb 1.34 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 2qr8 h VAL 527 CO 0.15 0.55 0.15 -0.08 0.02 0.00 0.00 177.57 178.37 2qr8 h GLU 528 N 0.38 0.31 -0.14 1.57 4.81 -0.73 0.16 114.58 120.94 2qr8 h GLU 528 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2qr8 h GLU 528 Cb 1.06 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 2qr8 h GLU 528 CO 0.10 0.21 0.08 -0.92 -0.73 0.00 0.00 179.01 177.74 2qr8 h TYR 529 N 0.32 0.15 -0.04 0.92 3.20 -1.34 0.06 116.97 120.23 2qr8 h TYR 529 Ca 0.13 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2qr8 h TYR 529 Cb 0.04 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2qr8 h TYR 529 CO -0.10 0.09 0.02 -0.07 -1.64 0.00 0.00 178.16 176.47 2qr8 h LEU 530 N 0.17 0.05 -0.69 2.82 3.38 -1.05 -1.84 115.31 118.14 2qr8 h LEU 530 Ca 0.05 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2qr8 h LEU 530 Cb -0.01 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2qr8 h LEU 530 CO -0.03 0.10 0.45 0.45 0.09 0.00 0.00 178.44 179.50 2qr8 h HIS 531 N 0.00 0.88 0.00 1.13 3.86 -0.46 -0.51 115.15 120.05 2qr8 h HIS 531 Ca 0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2qr8 h HIS 531 Cb 0.06 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 2qr8 h HIS 531 CO -0.06 0.56 -0.02 0.00 0.86 0.00 0.00 177.93 179.27 2qr8 h ALA 532 N 1.25 1.50 -0.31 2.45 0.00 -0.67 -0.01 119.26 123.46 2qr8 h ALA 532 Ca 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qr8 h ALA 532 Cb -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2qr8 h ALA 532 CO -0.05 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.27 2qr8 n GLN 533 N -3.84 1.93 -0.88 0.00 1.13 -0.68 -4.34 117.38 110.71 2qr8 n GLN 533 Ca -0.03 -1.43 0.00 0.00 -1.94 0.00 0.00 57.00 53.61 2qr8 n GLN 533 Cb 0.11 -1.38 0.00 0.00 0.11 0.00 0.00 30.24 29.08 2qr8 n GLN 533 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qr8 n GLY 534 N 1.19 0.54 3.74 1.08 0.00 -0.02 -4.60 105.19 107.13 2qr8 n GLY 534 Ca 0.16 -0.17 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 2qr8 n GLY 534 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr8 s VAL 535 N -2.00 5.39 -0.03 1.61 1.01 -0.29 0.12 120.40 126.21 2qr8 s VAL 535 Ca 0.00 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2qr8 s VAL 535 Cb 0.00 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2qr8 s VAL 535 CO 0.00 0.44 -0.05 0.68 0.00 0.00 0.00 175.10 176.17 2qr8 s VAL 536 N 0.32 3.81 -0.08 2.92 -7.23 -1.02 -2.86 120.40 116.25 2qr8 s VAL 536 Ca 0.11 -0.60 -0.19 0.00 -1.81 0.00 0.00 61.98 59.49 2qr8 s VAL 536 Cb -0.12 -2.63 -0.29 0.00 0.56 0.00 0.00 36.38 33.91 2qr8 s VAL 536 CO -0.00 0.48 0.70 -0.74 -0.31 0.00 0.00 175.10 175.22 2qr8 h HIS 537 N 4.80 0.48 0.00 2.82 2.76 -1.89 -2.38 115.15 121.73 2qr8 h HIS 537 Ca -0.49 -0.35 0.00 0.00 -2.20 0.00 0.00 60.37 57.33 2qr8 h HIS 537 Cb 1.17 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2qr8 h HIS 537 CO 0.58 1.45 0.00 0.54 -1.30 0.00 0.00 177.93 179.20 2qr8 n ARG 538 N -4.02 0.00 -2.71 5.26 1.74 -1.26 -2.86 116.66 112.81 2qr8 n ARG 538 Ca -0.20 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.82 2qr8 n ARG 538 Cb 0.86 -2.83 0.07 0.00 -1.02 0.00 0.00 32.46 29.54 2qr8 n ARG 538 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2qr8 n ASP 539 N 0.00 0.32 -2.62 0.55 2.03 -1.26 -5.00 116.55 110.57 2qr8 n ASP 539 Ca 0.00 -2.45 -0.28 0.00 0.52 0.00 0.00 54.79 52.58 2qr8 n ASP 539 Cb 0.00 -0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 2qr8 n ASP 539 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2qr8 n LEU 540 N -0.47 6.66 -4.85 -2.67 7.94 -1.26 -4.81 117.00 117.54 2qr8 n LEU 540 Ca 0.03 -4.13 -0.32 0.00 -1.11 0.00 0.00 56.01 50.48 2qr8 n LEU 540 Cb 0.83 -1.28 -0.01 0.00 0.53 0.00 0.00 43.42 43.50 2qr8 n LEU 540 CO 0.09 1.79 0.70 -1.59 -1.11 0.00 0.00 177.39 177.28 2qr8 s LYS 541 N -1.33 3.69 0.40 1.96 -2.85 -1.26 -4.64 119.74 115.71 2qr8 s LYS 541 Ca 0.59 0.88 0.19 0.00 -1.00 0.00 0.00 55.97 56.63 2qr8 s LYS 541 Cb 0.34 -2.10 1.13 0.00 -2.06 0.00 0.00 37.83 35.14 2qr8 s LYS 541 CO -0.18 -0.49 1.77 -1.35 0.10 0.00 0.00 175.35 175.20 2qr8 h PRO 542 N 0.23 0.36 0.00 1.78 0.11 -1.91 0.25 132.00 132.81 2qr8 h PRO 542 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qr8 h PRO 542 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qr8 h PRO 542 CO 0.61 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.51 2qr8 n SER 543 N -4.62 0.00 -1.20 -2.05 3.41 -1.26 -2.08 113.62 105.82 2qr8 n SER 543 Ca 0.26 0.37 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 2qr8 n SER 543 Cb 0.91 -0.43 0.28 0.00 -0.26 0.00 0.00 64.21 64.71 2qr8 n SER 543 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qr8 n ASN 544 N -1.43 3.95 -4.07 4.04 3.02 0.87 -4.81 115.26 116.82 2qr8 n ASN 544 Ca 0.04 -2.23 -0.32 0.00 -0.03 0.00 0.00 54.58 52.04 2qr8 n ASN 544 Cb 0.13 -0.45 -0.15 0.00 -0.61 0.00 0.00 39.78 38.70 2qr8 n ASN 544 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2qr8 s ILE 545 N -1.43 2.16 0.36 2.41 1.01 -0.88 -0.37 121.20 124.46 2qr8 s ILE 545 Ca 0.42 -1.59 0.09 0.00 0.00 0.00 0.00 60.65 59.57 2qr8 s ILE 545 Cb 0.25 -2.25 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 2qr8 s ILE 545 CO 0.24 0.01 -0.05 -0.76 0.00 0.00 0.00 174.94 174.38 2qr8 s LEU 546 N 1.12 2.82 -0.16 2.97 2.01 -0.79 -1.49 118.68 125.15 2qr8 s LEU 546 Ca -0.08 -1.20 -0.08 0.00 0.01 0.00 0.00 54.13 52.78 2qr8 s LEU 546 Cb -0.19 -1.04 -0.04 0.00 0.01 0.00 0.00 46.19 44.92 2qr8 s LEU 546 CO -0.06 -0.27 0.12 -0.31 1.01 0.00 0.00 176.35 176.84 2qr8 s TYR 547 N -2.62 3.48 0.17 0.29 2.02 -0.50 -0.93 117.35 119.26 2qr8 s TYR 547 Ca 0.34 0.40 0.11 0.00 -0.37 0.00 0.00 57.07 57.55 2qr8 s TYR 547 Cb 0.04 -2.04 0.22 0.00 -0.40 0.00 0.00 41.96 39.78 2qr8 s TYR 547 CO 0.17 0.50 1.52 -0.24 -1.57 0.00 0.00 175.55 175.93 2qr8 h VAL 548 N 4.34 1.38 -2.46 0.71 3.04 -1.46 0.67 116.25 122.47 2qr8 h VAL 548 Ca -0.48 -2.41 -0.07 0.00 -1.01 0.00 0.00 66.70 62.74 2qr8 h VAL 548 Cb 1.19 2.34 -0.02 0.00 -2.01 0.00 0.00 31.29 32.79 2qr8 h VAL 548 CO 0.66 0.66 -0.06 -0.90 -1.01 0.00 0.00 177.57 176.93 2qr8 n ASP 549 N -3.58 -0.19 -1.68 3.17 3.85 -1.26 -1.13 116.55 115.73 2qr8 n ASP 549 Ca -0.00 -1.38 0.04 0.00 -0.71 0.00 0.00 54.79 52.74 2qr8 n ASP 549 Cb 0.70 0.39 0.35 0.00 -1.35 0.00 0.00 41.12 41.21 2qr8 n ASP 549 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2qr8 n GLU 550 N -0.11 4.13 0.21 0.11 1.02 -1.26 -4.02 120.64 120.71 2qr8 n GLU 550 Ca 0.01 -3.09 0.15 0.00 -0.02 0.00 0.00 57.16 54.21 2qr8 n GLU 550 Cb 0.11 -2.16 0.64 0.00 -0.02 0.00 0.00 31.44 30.01 2qr8 n GLU 550 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2qr8 h SER 551 N 3.13 0.00 0.00 1.62 4.64 -1.99 -3.46 113.55 117.50 2qr8 h SER 551 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2qr8 h SER 551 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2qr8 h SER 551 CO 0.49 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 2qr8 n GLY 552 N -0.20 0.99 3.82 -0.77 0.00 -1.26 -5.00 105.19 102.76 2qr8 n GLY 552 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2qr8 n GLY 552 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr8 s ASN 553 N -2.88 7.02 0.45 1.61 2.20 -1.26 -4.96 114.94 117.12 2qr8 s ASN 553 Ca 0.00 1.23 0.28 0.00 -0.94 0.00 0.00 52.86 53.43 2qr8 s ASN 553 Cb 0.00 -2.35 1.35 0.00 -2.00 0.00 0.00 41.25 38.25 2qr8 s ASN 553 CO 0.00 0.25 1.71 -0.65 -2.94 0.00 0.00 177.10 175.47 2qr8 h PRO 554 N 4.38 0.17 -0.97 3.55 0.11 -1.94 0.13 132.00 137.44 2qr8 h PRO 554 Ca -0.50 -0.01 0.27 0.00 0.11 0.00 0.00 66.00 65.88 2qr8 h PRO 554 Cb 1.21 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2qr8 h PRO 554 CO 0.64 0.11 0.68 0.93 -0.21 0.00 0.00 178.00 180.16 2qr8 h GLU 555 N 0.18 0.06 -0.03 1.05 5.08 -1.97 -2.03 114.58 116.92 2qr8 h GLU 555 Ca 0.70 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 2qr8 h GLU 555 Cb 2.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.44 2qr8 h GLU 555 CO -0.27 0.04 0.00 -1.13 -1.00 0.00 0.00 179.01 176.65 2qr8 n SER 556 N -4.30 1.04 -4.76 1.42 3.41 0.44 -4.84 113.62 106.04 2qr8 n SER 556 Ca 0.20 -1.39 -0.40 0.00 -0.26 0.00 0.00 58.87 57.02 2qr8 n SER 556 Cb 0.99 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.89 2qr8 n SER 556 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qr8 s ILE 557 N -1.97 3.24 -0.07 -1.33 1.01 -0.77 -1.14 121.20 120.17 2qr8 s ILE 557 Ca 0.39 1.24 0.01 0.00 0.00 0.00 0.00 60.65 62.29 2qr8 s ILE 557 Cb 0.20 -3.79 0.02 0.00 0.01 0.00 0.00 42.46 38.91 2qr8 s ILE 557 CO 0.33 0.29 -0.07 -0.13 0.00 0.00 0.00 174.94 175.36 2qr8 s ARG 558 N -1.48 1.24 0.04 2.79 1.81 -0.10 -4.31 118.95 118.93 2qr8 s ARG 558 Ca 0.46 -0.21 -0.30 0.00 -1.72 0.00 0.00 55.73 53.96 2qr8 s ARG 558 Cb -0.35 -1.21 -0.06 0.00 -0.45 0.00 0.00 34.95 32.89 2qr8 s ARG 558 CO 0.45 -0.12 1.28 0.42 -0.68 0.00 0.00 175.30 176.64 2qr8 s ILE 559 N 1.16 3.88 0.48 1.52 1.01 0.76 -1.88 121.20 128.12 2qr8 s ILE 559 Ca -0.06 1.31 0.02 0.00 0.00 0.00 0.00 60.65 61.92 2qr8 s ILE 559 Cb -0.14 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2qr8 s ILE 559 CO -0.01 0.06 0.03 0.00 0.00 0.00 0.00 174.94 175.01 2qr8 n ASP 561 N -1.24 -6.80 -1.31 0.00 -0.08 -1.26 -4.86 116.55 101.01 2qr8 n ASP 561 Ca -0.15 0.16 -0.03 0.00 -1.51 0.00 0.00 54.79 53.26 2qr8 n ASP 561 Cb 0.67 -3.66 0.14 0.00 2.34 0.00 0.00 41.12 40.60 2qr8 n ASP 561 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2qr8 n PHE 562 N -0.39 1.13 0.59 -0.67 3.01 -1.26 -4.54 117.46 115.33 2qr8 n PHE 562 Ca 0.01 -0.65 0.11 0.00 1.01 0.00 0.00 57.45 57.92 2qr8 n PHE 562 Cb 0.57 -0.40 0.44 0.00 -0.01 0.00 0.00 39.48 40.07 2qr8 n PHE 562 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qr8 n GLY 563 N 0.06 -1.28 0.31 1.37 0.00 -1.26 -1.62 105.19 102.77 2qr8 n GLY 563 Ca 0.19 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.22 2qr8 n GLY 563 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qr8 n PHE 564 N -1.81 0.17 -2.45 1.61 3.01 -1.26 -4.94 117.46 111.79 2qr8 n PHE 564 Ca 0.04 -0.34 -0.33 0.00 1.01 0.00 0.00 57.45 57.83 2qr8 n PHE 564 Cb 0.26 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.67 2qr8 n PHE 564 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2qr8 s ALA 565 N -0.84 2.88 -0.04 4.37 0.00 -0.64 -4.62 121.76 122.87 2qr8 s ALA 565 Ca 0.11 0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.58 2qr8 s ALA 565 Cb 0.06 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.97 2qr8 s ALA 565 CO 0.08 -0.37 -0.09 0.21 0.00 0.00 0.00 175.76 175.59 2qr8 s LYS 566 N -3.51 1.19 -0.12 0.00 2.47 -0.89 -4.71 119.74 114.16 2qr8 s LYS 566 Ca 0.65 -0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 54.45 2qr8 s LYS 566 Cb -0.15 -1.06 -0.01 0.00 -1.46 0.00 0.00 37.83 35.15 2qr8 s LYS 566 CO 0.24 0.06 1.03 -0.65 0.16 0.00 0.00 175.35 176.19 2qr8 s GLN 567 N 0.46 4.40 0.13 4.03 -0.21 -1.26 -2.45 119.66 124.76 2qr8 s GLN 567 Ca -0.08 1.42 -0.34 0.00 0.02 0.00 0.00 55.36 56.37 2qr8 s GLN 567 Cb -0.12 -3.56 -0.14 0.00 1.00 0.00 0.00 33.01 30.19 2qr8 s GLN 567 CO 0.01 -0.37 1.57 -0.11 -2.12 0.00 0.00 175.29 174.27 2qr8 n LEU 568 N 5.19 2.91 -3.86 2.90 7.94 0.12 -4.95 117.00 127.24 2qr8 n LEU 568 Ca 0.09 1.08 -0.09 0.00 -1.11 0.00 0.00 56.01 55.98 2qr8 n LEU 568 Cb 0.48 -1.39 -0.07 0.00 0.53 0.00 0.00 43.42 42.98 2qr8 n LEU 568 CO 0.52 -0.38 -0.05 0.00 -1.11 0.00 0.00 177.39 176.37 2qr8 s ARG 569 N 1.09 0.95 0.67 1.96 1.70 -1.26 -1.74 118.95 122.32 2qr8 s ARG 569 Ca 0.81 -0.99 -0.11 0.00 -0.47 0.00 0.00 55.73 54.96 2qr8 s ARG 569 Cb -0.72 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.01 2qr8 s ARG 569 CO 0.40 -0.32 1.06 0.00 -1.08 0.00 0.00 175.30 175.36 2qr8 s ALA 570 N -3.88 2.90 0.26 7.88 0.00 0.12 -4.83 121.76 124.20 2qr8 s ALA 570 Ca 0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.85 2qr8 s ALA 570 Cb 0.04 -3.08 0.52 0.00 0.00 0.00 0.00 23.12 20.60 2qr8 s ALA 570 CO -0.08 -1.00 1.67 1.49 0.00 0.00 0.00 175.76 177.84 2qr8 h GLU 571 N -0.55 0.22 -0.64 0.00 4.81 -1.69 0.15 114.58 116.88 2qr8 h GLU 571 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2qr8 h GLU 571 Cb 1.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2qr8 h GLU 571 CO 0.62 0.15 0.00 0.27 -0.73 0.00 0.00 179.01 179.31 2qr8 n ASN 572 N -5.21 0.64 0.00 1.04 0.23 -1.26 -4.84 115.26 105.86 2qr8 n ASN 572 Ca 0.16 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 2qr8 n ASN 572 Cb 0.52 -0.32 0.00 0.00 -2.08 0.00 0.00 39.78 37.90 2qr8 n ASN 572 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qr8 n GLY 573 N 0.16 0.84 3.70 4.83 0.00 0.52 -5.02 105.19 110.22 2qr8 n GLY 573 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2qr8 n GLY 573 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qr8 s LEU 574 N 0.00 4.34 0.22 0.99 1.43 -1.25 -4.75 118.68 119.66 2qr8 s LEU 574 Ca 0.00 2.17 -0.32 0.00 -1.03 0.00 0.00 54.13 54.95 2qr8 s LEU 574 Cb 0.00 -3.57 -0.14 0.00 0.03 0.00 0.00 46.19 42.51 2qr8 s LEU 574 CO 0.00 -0.66 1.36 0.18 0.23 0.00 0.00 176.35 177.46 2qr8 n LEU 575 N 4.68 2.74 -4.23 1.79 4.77 -1.26 -0.70 117.00 124.79 2qr8 n LEU 575 Ca 0.12 1.14 -0.20 0.00 -0.03 0.00 0.00 56.01 57.04 2qr8 n LEU 575 Cb 0.44 -1.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.03 2qr8 n LEU 575 CO 0.58 -0.67 -0.48 -0.04 -1.33 0.00 0.00 177.39 175.46 2qr8 s MET 576 N -0.34 0.97 0.33 3.23 -1.94 -0.71 -4.83 119.30 115.99 2qr8 s MET 576 Ca 0.70 -1.08 0.09 0.00 -1.71 0.00 0.00 55.69 53.68 2qr8 s MET 576 Cb -0.70 -1.04 -0.04 0.00 2.01 0.00 0.00 34.83 35.06 2qr8 s MET 576 CO 0.50 0.23 0.09 0.95 -0.01 0.00 0.00 175.02 176.78 2qr8 s THR 577 N -1.40 3.03 -1.47 2.05 -4.23 -1.26 -4.39 115.64 107.97 2qr8 s THR 577 Ca 0.03 -1.79 0.29 0.00 -1.18 0.00 0.00 61.69 59.03 2qr8 s THR 577 Cb -0.09 -2.92 0.52 0.00 1.34 0.00 0.00 72.50 71.35 2qr8 s THR 577 CO 0.03 -0.22 2.00 -0.81 -0.54 0.00 0.00 174.62 175.08 2qr8 n PRO 578 N -1.06 0.44 -0.03 3.99 -0.04 -1.26 -2.81 135.00 134.24 2qr8 n PRO 578 Ca -0.04 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 2qr8 n PRO 578 Cb 0.61 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.46 2qr8 n PRO 578 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qr8 s TYR 580 N -3.19 3.12 -0.14 0.00 6.14 -1.12 -4.90 117.35 117.26 2qr8 s TYR 580 Ca -0.16 0.01 0.18 0.00 0.64 0.00 0.00 57.07 57.74 2qr8 s TYR 580 Cb 0.01 -3.17 0.30 0.00 0.42 0.00 0.00 41.96 39.53 2qr8 s TYR 580 CO 0.74 -0.74 1.16 2.41 0.64 0.00 0.00 175.55 179.76 2qr8 n THR 581 N 5.67 1.91 0.77 4.34 -1.04 -1.26 -4.44 114.28 120.22 2qr8 n THR 581 Ca -0.03 -2.38 0.02 0.00 -2.04 0.00 0.00 64.05 59.63 2qr8 n THR 581 Cb 0.48 -0.23 0.11 0.00 -1.82 0.00 0.00 70.33 68.87 2qr8 n THR 581 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qr8 n ALA 582 N -1.38 2.75 -2.72 2.41 0.00 -1.26 -4.79 120.51 115.52 2qr8 n ALA 582 Ca 0.16 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.95 2qr8 n ALA 582 Cb 0.65 -1.02 -0.13 0.00 0.00 0.00 0.00 19.45 18.95 2qr8 n ALA 582 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qr8 s ASN 583 N -0.48 1.25 -0.31 0.00 0.01 -1.26 -5.10 114.94 109.04 2qr8 s ASN 583 Ca 0.15 -0.39 -0.28 0.00 -0.71 0.00 0.00 52.86 51.62 2qr8 s ASN 583 Cb 0.10 -0.07 -0.02 0.00 0.41 0.00 0.00 41.25 41.67 2qr8 s ASN 583 CO 0.06 -0.01 1.83 0.12 -1.51 0.00 0.00 177.10 177.59 2qr8 s PHE 584 N -0.79 1.76 -0.11 2.20 5.36 -1.26 -4.94 117.98 120.20 2qr8 s PHE 584 Ca -0.01 0.60 -0.02 0.00 -0.96 0.00 0.00 56.93 56.55 2qr8 s PHE 584 Cb -0.07 -4.11 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 2qr8 s PHE 584 CO 0.01 -3.08 -0.04 0.08 -1.46 0.00 0.00 175.22 170.73 2qr8 s VAL 585 N 6.91 3.92 0.35 3.12 1.01 -1.26 -1.76 120.40 132.69 2qr8 s VAL 585 Ca 0.81 -0.38 -0.28 0.00 0.00 0.00 0.00 61.98 62.14 2qr8 s VAL 585 Cb -0.24 -2.66 -0.10 0.00 0.00 0.00 0.00 36.38 33.38 2qr8 s VAL 585 CO 0.34 0.56 1.37 0.00 0.00 0.00 0.00 175.10 177.37 2qr8 s ALA 586 N -0.38 3.50 0.48 5.51 0.00 -1.26 -4.82 121.76 124.79 2qr8 s ALA 586 Ca 0.06 1.37 0.19 0.00 0.00 0.00 0.00 51.96 53.58 2qr8 s ALA 586 Cb -0.12 -3.53 1.21 0.00 0.00 0.00 0.00 23.12 20.68 2qr8 s ALA 586 CO 0.02 -0.80 2.00 -1.00 0.00 0.00 0.00 175.76 175.97 2qr8 h PRO 587 N 3.18 0.20 0.00 0.00 0.13 -1.98 -0.62 132.00 132.90 2qr8 h PRO 587 Ca -0.50 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.52 2qr8 h PRO 587 Cb 1.23 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2qr8 h PRO 587 CO 0.65 0.13 -0.46 1.05 -0.23 0.00 0.00 178.00 179.13 2qr8 h GLU 588 N 0.20 0.00 -0.18 0.86 9.09 -1.99 0.31 114.58 122.87 2qr8 h GLU 588 Ca 0.25 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.46 2qr8 h GLU 588 Cb 0.72 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.82 2qr8 h GLU 588 CO -0.04 0.46 -0.67 0.28 0.05 0.00 0.00 179.01 179.08 2qr8 h VAL 589 N 0.00 1.29 0.05 -1.06 2.07 -1.52 -3.13 116.25 113.95 2qr8 h VAL 589 Ca -0.00 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 2qr8 h VAL 589 Cb 1.05 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2qr8 h VAL 589 CO 0.06 0.60 -0.02 0.25 0.02 0.00 0.00 177.57 178.47 2qr8 h LEU 590 N 0.52 -0.06 -0.79 2.57 5.85 -1.01 -2.48 115.31 119.91 2qr8 h LEU 590 Ca -0.03 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.44 2qr8 h LEU 590 Cb 1.30 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 2qr8 h LEU 590 CO 0.14 0.24 0.52 -0.08 -0.34 0.00 0.00 178.44 178.92 2qr8 h GLU 591 N -0.35 1.01 0.00 1.25 4.81 -0.54 -2.22 114.58 118.54 2qr8 h GLU 591 Ca -0.01 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.10 2qr8 h GLU 591 Cb 0.32 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2qr8 h GLU 591 CO 0.01 0.67 -0.29 -0.09 -0.73 0.00 0.00 179.01 178.58 2qr8 h ARG 592 N 1.04 0.00 -0.17 1.92 2.43 -1.56 -2.08 114.38 115.96 2qr8 h ARG 592 Ca 0.30 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.30 2qr8 h ARG 592 Cb -0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2qr8 h ARG 592 CO -0.08 0.29 -0.59 1.96 -1.51 0.00 0.00 179.97 180.04 2qr8 h GLN 593 N 0.00 0.56 -0.50 0.20 1.08 -0.92 -0.68 115.11 114.85 2qr8 h GLN 593 Ca -0.00 -0.38 -0.11 0.00 -1.45 0.00 0.00 58.65 56.71 2qr8 h GLN 593 Cb 0.81 0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 2qr8 h GLN 593 CO 0.04 0.99 -0.13 0.78 -0.95 0.00 0.00 178.83 179.56 2qr8 h GLY 594 N 1.05 1.06 0.96 3.46 0.00 -1.01 -1.59 103.07 107.00 2qr8 h GLY 594 Ca -0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.42 2qr8 h GLY 594 CO 0.11 0.80 -0.30 -0.97 0.00 0.00 0.00 176.54 176.18 2qr8 h TYR 595 N 0.84 -0.79 -0.92 5.60 0.05 -1.36 -2.56 116.97 117.83 2qr8 h TYR 595 Ca 0.13 -0.02 0.17 0.00 0.05 0.00 0.00 58.73 59.05 2qr8 h TYR 595 Cb 0.70 0.26 -0.08 0.00 1.01 0.00 0.00 36.73 38.62 2qr8 h TYR 595 CO 0.05 -0.47 0.59 -0.44 -1.05 0.00 0.00 178.16 176.84 2qr8 h ASP 596 N -0.90 0.63 -0.21 3.88 5.19 -1.12 -0.97 116.42 122.92 2qr8 h ASP 596 Ca -0.09 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.27 2qr8 h ASP 596 Cb 0.67 -0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 2qr8 h ASP 596 CO 0.14 0.29 -0.28 0.00 -3.12 0.00 0.00 179.24 176.27 2qr8 h ALA 597 N 1.61 0.32 -0.67 3.45 0.00 -1.24 -2.69 119.26 120.04 2qr8 h ALA 597 Ca 0.48 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2qr8 h ALA 597 Cb 0.86 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2qr8 h ALA 597 CO -0.23 0.32 0.30 0.00 0.00 0.00 0.00 179.25 179.64 2qr8 h ALA 598 N 0.63 1.28 0.00 0.00 0.00 -1.00 -2.32 119.26 117.85 2qr8 h ALA 598 Ca 0.02 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2qr8 h ALA 598 Cb 0.86 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2qr8 h ALA 598 CO 0.07 0.55 -0.21 0.00 0.00 0.00 0.00 179.25 179.65 2qr8 h ASP 600 N 0.00 0.54 -0.21 0.00 3.32 -1.08 -2.56 116.42 116.44 2qr8 h ASP 600 Ca -0.00 -0.19 -0.21 0.00 0.02 0.00 0.00 57.03 56.65 2qr8 h ASP 600 Cb 0.48 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.89 2qr8 h ASP 600 CO 0.03 0.59 -0.67 0.40 -1.72 0.00 0.00 179.24 177.87 2qr8 h ILE 601 N 0.46 1.27 -0.73 0.35 1.08 -1.20 -2.73 117.51 116.01 2qr8 h ILE 601 Ca 0.12 -1.86 0.11 0.00 -0.39 0.00 0.00 64.86 62.84 2qr8 h ILE 601 Cb 0.24 1.82 -0.08 0.00 -3.07 0.00 0.00 36.82 35.72 2qr8 h ILE 601 CO -0.01 0.60 0.34 -0.25 -0.69 0.00 0.00 178.15 178.15 2qr8 h TRP 602 N 0.60 0.61 -0.68 1.37 7.01 -1.24 0.47 115.95 124.09 2qr8 h TRP 602 Ca -0.02 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 2qr8 h TRP 602 Cb 1.29 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 28.16 2qr8 h TRP 602 CO 0.08 0.18 0.33 0.77 -2.79 0.00 0.00 178.44 177.01 2qr8 h SER 603 N 0.56 0.86 0.19 2.65 0.02 -1.30 -0.30 113.55 116.22 2qr8 h SER 603 Ca 0.37 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.18 2qr8 h SER 603 Cb 0.46 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2qr8 h SER 603 CO -0.31 0.72 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.78 2qr8 h LEU 604 N 0.95 0.11 -0.60 5.07 3.38 -0.97 -0.72 115.31 122.54 2qr8 h LEU 604 Ca 0.24 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2qr8 h LEU 604 Cb 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2qr8 h LEU 604 CO -0.03 0.37 0.39 1.23 0.09 0.00 0.00 178.44 180.49 2qr8 h GLY 605 N 0.86 0.85 1.35 0.83 0.00 0.35 0.13 103.07 107.44 2qr8 h GLY 605 Ca 0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 2qr8 h GLY 605 CO 0.04 0.32 -0.20 -2.08 0.00 0.00 0.00 176.54 174.61 2qr8 h VAL 606 N 0.82 1.27 0.30 4.60 2.07 -0.58 -1.61 116.25 123.12 2qr8 h VAL 606 Ca 0.22 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 2qr8 h VAL 606 Cb -0.08 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2qr8 h VAL 606 CO -0.05 0.43 -0.15 0.25 0.02 0.00 0.00 177.57 178.08 2qr8 h LEU 607 N 0.67 -0.34 -0.18 2.57 5.85 -1.03 -2.79 115.31 120.06 2qr8 h LEU 607 Ca 0.10 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2qr8 h LEU 607 Cb 0.70 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2qr8 h LEU 607 CO 0.05 -0.15 -0.08 0.25 -0.34 0.00 0.00 178.44 178.18 2qr8 h LEU 608 N -0.53 -0.26 -0.25 2.25 5.85 -0.77 -1.35 115.31 120.27 2qr8 h LEU 608 Ca -0.04 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2qr8 h LEU 608 Cb 0.39 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 2qr8 h LEU 608 CO 0.07 -0.10 -0.09 0.22 -0.34 0.00 0.00 178.44 178.20 2qr8 h TYR 609 N -0.05 -0.20 -0.56 1.25 5.03 -1.35 -1.67 116.97 119.41 2qr8 h TYR 609 Ca 0.09 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.33 2qr8 h TYR 609 Cb 0.19 0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 2qr8 h TYR 609 CO -0.23 -0.14 -0.04 1.15 -1.32 0.00 0.00 178.16 177.57 2qr8 h THR 610 N -0.04 1.26 -0.58 1.81 2.02 -1.35 -2.68 112.91 113.36 2qr8 h THR 610 Ca 0.13 -1.18 -0.06 0.00 0.77 0.00 0.00 66.41 66.07 2qr8 h THR 610 Cb 0.23 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 2qr8 h THR 610 CO -0.28 0.42 0.14 0.24 0.37 0.00 0.00 175.52 176.41 2qr8 h MET 611 N 0.92 0.90 -0.02 6.66 2.86 -0.77 0.48 114.93 125.95 2qr8 h MET 611 Ca 0.16 -0.19 -0.17 0.00 -2.06 0.00 0.00 59.70 57.43 2qr8 h MET 611 Cb 0.59 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2qr8 h MET 611 CO 0.04 0.81 -0.77 -0.07 1.06 0.00 0.00 176.91 177.98 2qr8 h LEU 612 N 0.86 0.21 0.00 1.22 3.38 -1.18 -3.39 115.31 116.42 2qr8 h LEU 612 Ca 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qr8 h LEU 612 Cb 0.32 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2qr8 h LEU 612 CO 0.00 0.90 -0.99 0.35 0.09 0.00 0.00 178.44 178.79 2qr8 n THR 613 N -3.73 0.00 -0.81 0.22 -2.24 -1.02 -4.64 114.28 102.07 2qr8 n THR 613 Ca -0.03 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2qr8 n THR 613 Cb 0.73 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 2qr8 n THR 613 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qr8 n GLY 614 N 2.46 0.59 3.17 3.38 0.00 0.17 -1.17 105.19 113.78 2qr8 n GLY 614 Ca -0.00 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 2qr8 n GLY 614 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qr8 s TYR 615 N -2.00 0.46 0.13 1.61 -0.85 -1.25 -4.54 117.35 110.91 2qr8 s TYR 615 Ca 0.00 -0.91 -0.16 0.00 -0.52 0.00 0.00 57.07 55.48 2qr8 s TYR 615 Cb 0.00 -0.26 -0.07 0.00 0.38 0.00 0.00 41.96 42.01 2qr8 s TYR 615 CO 0.00 -0.50 0.56 0.99 -1.52 0.00 0.00 175.55 175.08 2qr8 s THR 616 N -3.93 4.82 0.03 -3.49 2.01 -1.26 -3.69 115.64 110.13 2qr8 s THR 616 Ca 0.11 0.93 0.25 0.00 0.31 0.00 0.00 61.69 63.29 2qr8 s THR 616 Cb 0.06 -3.77 0.26 0.00 0.01 0.00 0.00 72.50 69.06 2qr8 s THR 616 CO -0.07 0.32 1.79 1.55 -0.69 0.00 0.00 174.62 177.52 2qr8 h PRO 617 N 3.79 0.00 0.00 4.92 0.13 -1.93 -3.35 132.00 135.56 2qr8 h PRO 617 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2qr8 h PRO 617 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qr8 h PRO 617 CO 0.65 0.19 0.00 1.19 -0.23 0.00 0.00 178.00 179.80 2qr8 n PHE 618 N -3.28 0.00 -3.72 1.56 3.72 -1.26 -4.92 117.46 109.56 2qr8 n PHE 618 Ca 0.01 -0.03 -0.13 0.00 -0.05 0.00 0.00 57.45 57.25 2qr8 n PHE 618 Cb 0.45 -0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.90 2qr8 n PHE 618 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qr8 s ALA 619 N -0.06 -1.09 -0.13 4.37 0.00 -1.26 -4.48 121.76 119.12 2qr8 s ALA 619 Ca 0.00 1.16 0.22 0.00 0.00 0.00 0.00 51.96 53.34 2qr8 s ALA 619 Cb 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 23.12 22.23 2qr8 s ALA 619 CO 0.00 -0.22 0.59 0.09 0.00 0.00 0.00 175.76 176.22 2qr8 n ASN 620 N 2.59 0.18 0.00 0.00 3.02 -1.26 -4.41 115.26 115.38 2qr8 n ASN 620 Ca -0.14 -0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2qr8 n ASN 620 Cb 0.57 1.71 0.00 0.00 -0.61 0.00 0.00 39.78 41.45 2qr8 n ASN 620 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qr8 n GLY 621 N 1.27 -1.13 0.23 7.41 0.00 -1.26 -4.80 105.19 106.90 2qr8 n GLY 621 Ca -0.03 -0.97 0.16 0.00 0.00 0.00 0.00 46.02 45.18 2qr8 n GLY 621 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qr8 h PRO 622 N 0.00 0.00 -0.34 1.61 0.13 -1.79 -2.82 132.00 128.79 2qr8 h PRO 622 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qr8 h PRO 622 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qr8 h PRO 622 CO 0.00 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.52 2qr8 n ASP 623 N -2.66 3.10 -4.71 1.44 8.00 -1.26 -4.85 116.55 115.61 2qr8 n ASP 623 Ca -0.00 -1.90 -0.43 0.00 0.71 0.00 0.00 54.79 53.17 2qr8 n ASP 623 Cb 0.16 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 2qr8 n ASP 623 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2qr8 n ASP 624 N 1.12 3.22 -4.83 -2.24 9.92 -1.06 -4.97 116.55 117.71 2qr8 n ASP 624 Ca 0.16 1.17 -0.32 0.00 -0.53 0.00 0.00 54.79 55.27 2qr8 n ASP 624 Cb 0.51 -1.52 -0.02 0.00 -0.64 0.00 0.00 41.12 39.45 2qr8 n ASP 624 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2qr8 s THR 625 N -0.46 4.37 0.37 -3.53 -4.23 -1.26 -4.93 115.64 105.97 2qr8 s THR 625 Ca 0.61 1.12 0.06 0.00 -1.18 0.00 0.00 61.69 62.31 2qr8 s THR 625 Cb -0.56 -3.64 0.21 0.00 1.34 0.00 0.00 72.50 69.85 2qr8 s THR 625 CO 0.55 -0.66 1.97 -0.65 -0.54 0.00 0.00 174.62 175.29 2qr8 h PRO 626 N 0.77 0.52 -0.36 3.99 0.11 -1.93 -2.41 132.00 132.70 2qr8 h PRO 626 Ca -0.47 -0.07 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 2qr8 h PRO 626 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 2qr8 h PRO 626 CO 0.61 0.45 -0.18 0.93 -0.21 0.00 0.00 178.00 179.60 2qr8 h GLU 627 N 0.52 0.75 -0.05 1.05 3.07 -1.97 -0.21 114.58 117.74 2qr8 h GLU 627 Ca 0.13 -0.33 -0.16 0.00 -0.50 0.00 0.00 59.36 58.50 2qr8 h GLU 627 Cb 0.13 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2qr8 h GLU 627 CO -0.01 0.94 -0.68 1.05 -1.40 0.00 0.00 179.01 178.92 2qr8 h GLU 628 N 0.53 0.22 0.12 2.33 4.11 -1.86 0.41 114.58 120.44 2qr8 h GLU 628 Ca 0.08 -0.17 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2qr8 h GLU 628 Cb 0.72 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.01 2qr8 h GLU 628 CO 0.05 0.82 -0.06 0.82 0.07 0.00 0.00 179.01 180.71 2qr8 h ILE 629 N 0.15 0.95 -0.10 -1.06 2.04 -1.31 -2.33 117.51 115.85 2qr8 h ILE 629 Ca -0.02 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 2qr8 h ILE 629 Cb 1.21 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 2qr8 h ILE 629 CO 0.10 0.06 -0.10 -0.07 0.00 0.00 0.00 178.15 178.15 2qr8 h LEU 630 N -0.29 0.13 -0.21 1.44 3.38 -0.83 -1.66 115.31 117.26 2qr8 h LEU 630 Ca -0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2qr8 h LEU 630 Cb 0.23 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2qr8 h LEU 630 CO 0.03 0.26 0.10 0.00 0.09 0.00 0.00 178.44 178.91 2qr8 h ALA 631 N 1.76 0.28 -0.28 1.53 0.00 -0.77 -0.52 119.26 121.26 2qr8 h ALA 631 Ca 0.03 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2qr8 h ALA 631 Cb 0.27 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2qr8 h ALA 631 CO 0.02 -0.16 0.17 0.00 0.00 0.00 0.00 179.25 179.28 2qr8 h ARG 632 N 0.21 0.38 -0.35 0.00 3.08 -0.90 -1.19 114.38 115.62 2qr8 h ARG 632 Ca 0.07 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.14 2qr8 h ARG 632 Cb 0.13 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.05 2qr8 h ARG 632 CO -0.01 0.30 0.04 0.82 -1.07 0.00 0.00 179.97 180.05 2qr8 h ILE 633 N 0.36 0.79 0.00 2.04 2.04 -1.14 -2.14 117.51 119.46 2qr8 h ILE 633 Ca 0.10 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 2qr8 h ILE 633 Cb 0.01 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2qr8 h ILE 633 CO -0.02 0.03 -0.16 1.23 0.00 0.00 0.00 178.15 179.22 2qr8 h GLY 634 N 0.15 0.00 2.00 5.37 0.00 -0.74 -2.72 103.07 107.13 2qr8 h GLY 634 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 2qr8 h GLY 634 CO -0.24 0.00 -0.01 1.48 0.00 0.00 0.00 176.54 177.76 2qr8 h SER 635 N 0.00 0.00 -3.43 0.19 4.64 -0.52 -3.46 113.55 110.96 2qr8 h SER 635 Ca -0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 2qr8 h SER 635 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2qr8 h SER 635 CO 0.02 0.01 -0.52 0.61 -0.87 0.00 0.00 176.83 176.09 2qr8 n GLY 636 N -1.39 -0.50 2.98 -0.77 0.00 -1.03 -4.99 105.19 99.48 2qr8 n GLY 636 Ca -0.03 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 2qr8 n GLY 636 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr8 s LYS 637 N -5.18 0.14 0.12 1.61 1.02 -1.26 -4.81 119.74 111.38 2qr8 s LYS 637 Ca 0.06 0.06 -0.17 0.00 0.02 0.00 0.00 55.97 55.93 2qr8 s LYS 637 Cb -0.03 0.07 0.04 0.00 -0.52 0.00 0.00 37.83 37.39 2qr8 s LYS 637 CO 0.08 -0.02 0.43 -0.59 -0.92 0.00 0.00 175.35 174.33 2qr8 s PHE 638 N -0.12 -0.27 0.18 3.18 -0.12 -1.26 -4.94 117.98 114.63 2qr8 s PHE 638 Ca -0.02 0.01 -0.30 0.00 -0.05 0.00 0.00 56.93 56.57 2qr8 s PHE 638 Cb -0.02 0.30 -0.08 0.00 -0.63 0.00 0.00 43.02 42.59 2qr8 s PHE 638 CO 0.00 -0.71 1.20 0.45 -0.05 0.00 0.00 175.22 176.11 2qr8 s SER 639 N -2.68 7.09 -0.26 1.98 0.15 -1.26 -4.94 113.70 113.79 2qr8 s SER 639 Ca 0.01 2.22 0.11 0.00 0.70 0.00 0.00 55.95 59.00 2qr8 s SER 639 Cb 0.01 -2.60 0.46 0.00 -1.71 0.00 0.00 66.02 62.18 2qr8 s SER 639 CO -0.11 -0.38 1.18 0.18 1.20 0.00 0.00 173.24 175.32 2qr8 n LEU 640 N 2.59 3.74 -3.55 3.45 4.77 -1.26 -5.06 117.00 121.67 2qr8 n LEU 640 Ca 0.05 -4.16 -0.14 0.00 -0.03 0.00 0.00 56.01 51.73 2qr8 n LEU 640 Cb 0.45 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 2qr8 n LEU 640 CO 0.56 1.71 0.60 -0.55 -1.33 0.00 0.00 177.39 178.38 2qr8 s SER 641 N -3.49 -0.53 0.00 -1.43 0.15 -1.26 -4.82 113.70 102.33 2qr8 s SER 641 Ca 0.44 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.69 2qr8 s SER 641 Cb 0.39 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.17 2qr8 s SER 641 CO -0.00 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.58 2qr8 n GLY 642 N 0.93 0.88 0.19 9.45 0.00 -1.26 -4.80 105.19 110.57 2qr8 n GLY 642 Ca -0.15 -2.03 -0.05 0.00 0.00 0.00 0.00 46.02 43.78 2qr8 n GLY 642 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qr8 h GLY 643 N 0.00 -1.70 2.00 -0.02 0.00 -2.00 0.58 103.07 101.93 2qr8 h GLY 643 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 47.33 48.21 2qr8 h GLY 643 CO 0.00 -0.52 0.00 -1.72 0.00 0.00 0.00 176.54 174.30 2qr8 n TYR 644 N -3.89 0.81 -0.07 5.60 4.02 -1.26 -3.26 117.16 119.11 2qr8 n TYR 644 Ca -0.01 0.24 -0.13 0.00 -0.01 0.00 0.00 57.90 57.99 2qr8 n TYR 644 Cb 0.13 -0.88 -0.14 0.00 -0.02 0.00 0.00 39.34 38.42 2qr8 n TYR 644 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2qr8 n TRP 645 N -2.16 0.45 -0.34 -0.72 7.02 -0.91 -4.64 117.44 116.14 2qr8 n TRP 645 Ca 0.06 0.14 0.20 0.00 -1.02 0.00 0.00 57.50 56.87 2qr8 n TRP 645 Cb 0.42 -1.07 0.43 0.00 -2.42 0.00 0.00 31.31 28.67 2qr8 n TRP 645 CO 0.00 0.00 0.00 -0.91 -2.02 0.00 0.00 177.69 174.76 2qr8 h ASN 646 N 0.01 0.58 0.24 -0.99 2.35 0.17 0.17 115.58 118.11 2qr8 h ASN 646 Ca -0.46 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 2qr8 h ASN 646 Cb 2.09 0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.48 2qr8 h ASN 646 CO 0.03 0.10 -0.29 -1.54 -1.65 0.00 0.00 177.43 174.08 2qr8 n SER 647 N -4.78 1.04 -4.81 5.81 3.41 -1.26 -4.95 113.62 108.08 2qr8 n SER 647 Ca 0.26 -0.88 -0.35 0.00 -0.26 0.00 0.00 58.87 57.64 2qr8 n SER 647 Cb 0.80 0.16 -0.07 0.00 -0.26 0.00 0.00 64.21 64.85 2qr8 n SER 647 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qr8 s VAL 648 N -2.53 4.37 0.39 -3.33 1.01 0.60 -5.03 120.40 115.88 2qr8 s VAL 648 Ca 0.23 1.53 -0.21 0.00 0.00 0.00 0.00 61.98 63.53 2qr8 s VAL 648 Cb 0.19 -3.76 -0.15 0.00 0.00 0.00 0.00 36.38 32.66 2qr8 s VAL 648 CO 0.53 -0.11 0.10 -1.20 0.00 0.00 0.00 175.10 174.43 2qr8 n SER 649 N -0.10 -2.76 -0.17 3.32 7.64 -1.26 -4.89 113.62 115.40 2qr8 n SER 649 Ca 0.04 0.81 -0.11 0.00 1.01 0.00 0.00 58.87 60.62 2qr8 n SER 649 Cb 0.52 -0.87 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 2qr8 n SER 649 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2qr8 h ASP 650 N 0.34 1.04 -0.48 6.43 5.19 -1.97 -2.98 116.42 124.00 2qr8 h ASP 650 Ca -0.36 -0.39 -0.04 0.00 -0.62 0.00 0.00 57.03 55.62 2qr8 h ASP 650 Cb 1.42 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 40.62 2qr8 h ASP 650 CO 0.46 1.19 0.15 0.71 -3.12 0.00 0.00 179.24 178.63 2qr8 h THR 651 N 0.88 1.22 -0.41 0.35 1.35 -1.99 0.28 112.91 114.58 2qr8 h THR 651 Ca 0.12 -0.75 -0.07 0.00 -0.55 0.00 0.00 66.41 65.16 2qr8 h THR 651 Cb 0.77 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2qr8 h THR 651 CO 0.06 0.28 0.00 0.00 -0.25 0.00 0.00 175.52 175.62 2qr8 h ALA 652 N 1.39 0.56 -0.67 6.62 0.00 -1.93 -1.91 119.26 123.32 2qr8 h ALA 652 Ca 0.18 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2qr8 h ALA 652 Cb 0.25 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 2qr8 h ALA 652 CO -0.01 0.34 0.14 0.87 0.00 0.00 0.00 179.25 180.59 2qr8 h LYS 653 N 0.56 1.07 -0.10 0.00 1.57 -1.18 -1.74 116.57 116.75 2qr8 h LYS 653 Ca 0.12 -0.26 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 2qr8 h LYS 653 Cb 0.48 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2qr8 h LYS 653 CO 0.02 0.96 -0.14 0.22 -0.57 0.00 0.00 179.45 179.94 2qr8 h ASP 654 N 1.01 -0.44 -0.18 0.86 1.82 -0.34 -0.48 116.42 118.68 2qr8 h ASP 654 Ca 0.21 0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.96 2qr8 h ASP 654 Cb 0.38 0.21 -0.03 0.00 0.68 0.00 0.00 39.33 40.57 2qr8 h ASP 654 CO 0.01 -0.19 0.00 0.25 -1.61 0.00 0.00 179.24 177.70 2qr8 h LEU 655 N -0.19 -0.06 -0.33 2.28 6.46 -1.06 -0.83 115.31 121.58 2qr8 h LEU 655 Ca 0.08 0.04 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2qr8 h LEU 655 Cb 0.31 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.29 2qr8 h LEU 655 CO -0.22 -0.01 0.19 0.58 -0.62 0.00 0.00 178.44 178.37 2qr8 h VAL 656 N 0.06 1.13 -0.92 1.05 2.07 -1.14 0.11 116.25 118.61 2qr8 h VAL 656 Ca 0.08 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.30 2qr8 h VAL 656 Cb 0.10 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2qr8 h VAL 656 CO -0.14 0.13 0.61 0.77 0.02 0.00 0.00 177.57 178.96 2qr8 h SER 657 N 0.42 1.04 1.79 0.57 4.64 -0.59 -0.95 113.55 120.47 2qr8 h SER 657 Ca 0.12 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2qr8 h SER 657 Cb 0.04 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 2qr8 h SER 657 CO -0.02 0.75 -0.17 0.11 -0.87 0.00 0.00 176.83 176.62 2qr8 h LYS 658 N 1.23 0.00 0.06 4.77 1.57 -0.45 -2.30 116.57 121.45 2qr8 h LYS 658 Ca 0.34 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.88 2qr8 h LYS 658 Cb -0.12 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2qr8 h LYS 658 CO -0.08 0.17 -1.08 0.52 -0.57 0.00 0.00 179.45 178.41 2qr8 h MET 659 N 0.00 0.20 -0.65 3.15 2.86 -0.38 -2.09 114.93 118.02 2qr8 h MET 659 Ca -0.00 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2qr8 h MET 659 Cb 1.12 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2qr8 h MET 659 CO 0.02 1.10 0.00 1.28 1.06 0.00 0.00 176.91 180.37 2qr8 n LEU 660 N -3.53 4.12 -4.63 1.22 4.77 -0.40 -3.80 117.00 114.74 2qr8 n LEU 660 Ca -0.05 -2.08 -0.47 0.00 -0.03 0.00 0.00 56.01 53.39 2qr8 n LEU 660 Cb 0.94 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 2qr8 n LEU 660 CO 0.51 0.76 0.90 1.57 -1.33 0.00 0.00 177.39 179.81 2qr8 n HIS 661 N 1.09 1.82 0.18 -1.77 -0.00 -0.87 -4.87 115.22 110.79 2qr8 n HIS 661 Ca 0.23 0.53 0.03 0.00 0.46 0.00 0.00 57.72 58.96 2qr8 n HIS 661 Cb 0.75 -2.39 0.32 0.00 -0.12 0.00 0.00 29.99 28.55 2qr8 n HIS 661 CO 0.00 0.00 0.00 -0.24 0.46 0.00 0.00 176.34 176.56 2qr8 h VAL 662 N 2.93 1.19 -3.59 3.57 3.04 -1.89 -3.40 116.25 118.10 2qr8 h VAL 662 Ca -0.44 -1.55 -0.65 0.00 -1.01 0.00 0.00 66.70 63.05 2qr8 h VAL 662 Cb 1.30 1.86 -0.15 0.00 -2.01 0.00 0.00 31.29 32.29 2qr8 h VAL 662 CO 0.74 0.42 0.01 -0.62 -1.01 0.00 0.00 177.57 177.12 2qr8 s ASP 663 N -6.74 6.33 0.54 3.17 -1.08 -1.26 -4.95 116.67 112.68 2qr8 s ASP 663 Ca -0.02 -0.11 0.25 0.00 -0.52 0.00 0.00 52.55 52.16 2qr8 s ASP 663 Cb 0.13 -2.29 1.43 0.00 -1.46 0.00 0.00 42.92 40.74 2qr8 s ASP 663 CO 0.72 -0.57 2.03 1.55 0.52 0.00 0.00 175.17 179.41 2qr8 h PRO 664 N 8.57 0.00 -0.00 4.34 0.13 -1.95 0.05 132.00 143.13 2qr8 h PRO 664 Ca -0.27 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.80 2qr8 h PRO 664 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2qr8 h PRO 664 CO 0.81 0.00 -0.28 0.45 -0.23 0.00 0.00 178.00 178.75 2qr8 h HIS 665 N 0.00 0.00 0.00 1.56 3.86 -1.95 -2.86 115.15 115.77 2qr8 h HIS 665 Ca 0.19 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2qr8 h HIS 665 Cb 0.81 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.28 2qr8 h HIS 665 CO 0.00 0.28 -1.26 1.04 0.86 0.00 0.00 177.93 178.85 2qr8 n GLN 666 N -4.20 0.31 -1.86 2.45 6.02 -0.09 -4.95 117.38 115.06 2qr8 n GLN 666 Ca -0.02 -0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.54 2qr8 n GLN 666 Cb 0.33 -1.55 0.04 0.00 1.02 0.00 0.00 30.24 30.08 2qr8 n GLN 666 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2qr8 s ARG 667 N -3.23 3.04 0.58 -1.09 3.52 -0.66 -4.95 118.95 116.17 2qr8 s ARG 667 Ca 0.02 2.09 -0.19 0.00 -0.13 0.00 0.00 55.73 57.52 2qr8 s ARG 667 Cb 0.15 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 2qr8 s ARG 667 CO 0.85 -1.22 1.20 -0.51 -0.81 0.00 0.00 175.30 174.81 2qr8 s LEU 668 N -3.75 3.68 0.59 -0.88 1.43 -0.79 -5.00 118.68 113.96 2qr8 s LEU 668 Ca 0.74 2.37 -0.06 0.00 -1.03 0.00 0.00 54.13 56.15 2qr8 s LEU 668 Cb -0.37 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.26 2qr8 s LEU 668 CO 0.42 -1.54 0.91 0.42 0.23 0.00 0.00 176.35 176.78 2qr8 s THR 669 N -1.60 3.86 0.24 5.49 -4.23 -1.26 -4.89 115.64 113.24 2qr8 s THR 669 Ca 0.77 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 61.33 2qr8 s THR 669 Cb -0.30 -3.53 0.20 0.00 1.34 0.00 0.00 72.50 70.21 2qr8 s THR 669 CO 0.33 -0.56 1.80 0.00 -0.54 0.00 0.00 174.62 175.64 2qr8 h ALA 670 N -0.16 1.09 -0.63 3.99 0.00 -1.93 0.12 119.26 121.74 2qr8 h ALA 670 Ca -0.46 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2qr8 h ALA 670 Cb 1.25 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.88 2qr8 h ALA 670 CO 0.61 0.04 0.33 0.00 0.00 0.00 0.00 179.25 180.23 2qr8 h ALA 671 N 1.44 0.84 0.00 0.00 0.00 -1.94 -2.13 119.26 117.47 2qr8 h ALA 671 Ca 0.38 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.17 2qr8 h ALA 671 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2qr8 h ALA 671 CO -0.25 -0.02 -0.71 -0.07 0.00 0.00 0.00 179.25 178.19 2qr8 h LEU 672 N 0.60 0.00 -0.51 0.00 4.07 -1.56 -2.98 115.31 114.93 2qr8 h LEU 672 Ca 0.29 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.21 2qr8 h LEU 672 Cb 0.22 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 2qr8 h LEU 672 CO -0.20 0.71 0.16 0.58 -1.08 0.00 0.00 178.44 178.61 2qr8 h VAL 673 N 0.00 1.23 0.00 1.22 2.07 -0.39 -2.88 116.25 117.50 2qr8 h VAL 673 Ca -0.01 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 2qr8 h VAL 673 Cb 1.31 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2qr8 h VAL 673 CO 0.09 0.28 -0.02 -0.07 0.02 0.00 0.00 177.57 177.88 2qr8 h LEU 674 N 0.69 0.00 -0.46 2.57 3.38 -1.28 -1.26 115.31 118.95 2qr8 h LEU 674 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2qr8 h LEU 674 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2qr8 h LEU 674 CO -0.01 0.02 -0.25 0.54 0.09 0.00 0.00 178.44 178.83 2qr8 n ARG 675 N -3.13 0.80 -2.22 1.13 5.12 -1.14 -4.36 116.66 112.86 2qr8 n ARG 675 Ca -0.00 -0.46 -0.40 0.00 -1.93 0.00 0.00 57.85 55.06 2qr8 n ARG 675 Cb 0.27 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 30.05 2qr8 n ARG 675 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2qr8 s HIS 676 N -2.52 3.19 0.59 -1.55 2.46 -0.48 -4.78 115.29 112.21 2qr8 s HIS 676 Ca 0.24 1.50 0.30 0.00 0.47 0.00 0.00 55.06 57.57 2qr8 s HIS 676 Cb 0.19 -3.56 1.75 0.00 -0.13 0.00 0.00 32.58 30.83 2qr8 s HIS 676 CO 0.52 -1.47 2.17 -1.00 -2.47 0.00 0.00 174.74 172.49 2qr8 h PRO 677 N 3.44 0.00 -0.08 2.88 0.13 -1.91 0.39 132.00 136.85 2qr8 h PRO 677 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2qr8 h PRO 677 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2qr8 h PRO 677 CO 0.66 0.00 -0.35 2.35 -0.23 0.00 0.00 178.00 180.43 2qr8 h TRP 678 N 0.00 0.18 0.08 1.56 7.01 -1.89 -0.65 115.95 122.24 2qr8 h TRP 678 Ca 0.05 -0.04 -0.26 0.00 2.11 0.00 0.00 58.89 60.75 2qr8 h TRP 678 Cb 0.28 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.29 2qr8 h TRP 678 CO 0.00 0.50 -1.37 0.82 -2.79 0.00 0.00 178.44 175.60 2qr8 h ILE 679 N 0.14 0.98 -0.07 2.65 1.08 -1.57 -3.36 117.51 117.36 2qr8 h ILE 679 Ca 0.02 -2.32 -0.01 0.00 -0.39 0.00 0.00 64.86 62.15 2qr8 h ILE 679 Cb 0.69 2.58 -0.00 0.00 -3.07 0.00 0.00 36.82 37.02 2qr8 h ILE 679 CO 0.05 0.61 -0.00 0.58 -0.69 0.00 0.00 178.15 178.70 2qr8 h VAL 680 N -0.50 1.26 -1.80 1.67 2.07 -0.98 -3.21 116.25 114.77 2qr8 h VAL 680 Ca -0.32 -0.83 -0.73 0.00 0.82 0.00 0.00 66.70 65.65 2qr8 h VAL 680 Cb 1.62 1.68 -0.23 0.00 -1.52 0.00 0.00 31.29 32.83 2qr8 h VAL 680 CO -0.02 0.23 1.13 1.41 0.02 0.00 0.00 177.57 180.34 2qr8 n HIS 681 N -4.84 2.62 -0.09 1.57 8.25 -0.25 -4.73 115.22 117.76 2qr8 n HIS 681 Ca -0.07 -2.40 0.15 0.00 -0.26 0.00 0.00 57.72 55.15 2qr8 n HIS 681 Cb 0.20 -1.32 0.55 0.00 1.12 0.00 0.00 29.99 30.55 2qr8 n HIS 681 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 2qr8 h TRP 682 N 3.61 0.33 0.00 4.41 5.08 -1.71 -1.57 115.95 126.10 2qr8 h TRP 682 Ca 0.55 0.01 0.00 0.00 1.08 0.00 0.00 58.89 60.53 2qr8 h TRP 682 Cb 0.27 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 26.33 2qr8 h TRP 682 CO 1.34 0.14 0.00 -0.40 -1.28 0.00 0.00 178.44 178.24 2qr8 n ASP 683 N -4.45 0.06 -1.85 0.11 3.85 -1.26 -2.56 116.55 110.45 2qr8 n ASP 683 Ca 0.11 0.51 0.06 0.00 -0.71 0.00 0.00 54.79 54.77 2qr8 n ASP 683 Cb 0.49 -0.53 0.40 0.00 -1.35 0.00 0.00 41.12 40.13 2qr8 n ASP 683 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qr8 n GLN 684 N -1.57 4.77 -4.18 0.11 6.02 -0.59 -4.96 117.38 116.98 2qr8 n GLN 684 Ca 0.04 -3.16 -0.32 0.00 -0.01 0.00 0.00 57.00 53.55 2qr8 n GLN 684 Cb 0.20 -2.25 -0.08 0.00 1.02 0.00 0.00 30.24 29.13 2qr8 n GLN 684 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qr8 s LEU 685 N -2.79 3.67 0.13 1.08 1.43 -1.06 -5.08 118.68 116.06 2qr8 s LEU 685 Ca 0.54 0.03 -0.33 0.00 -1.03 0.00 0.00 54.13 53.34 2qr8 s LEU 685 Cb 0.42 -2.17 -0.17 0.00 0.03 0.00 0.00 46.19 44.29 2qr8 s LEU 685 CO 0.15 0.26 0.90 -2.65 0.23 0.00 0.00 176.35 175.24 2qr8 n PRO 686 N 1.15 0.39 0.00 1.29 -0.02 -1.26 -4.65 135.00 131.90 2qr8 n PRO 686 Ca -0.13 0.14 0.10 0.00 -2.02 0.00 0.00 63.50 61.59 2qr8 n PRO 686 Cb 0.52 -1.46 -0.07 0.00 -0.02 0.00 0.00 33.50 32.48 2qr8 n PRO 686 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2qr8 n GLN 687 N 1.36 0.68 -2.04 -0.52 6.02 -1.26 -2.13 117.38 119.49 2qr8 n GLN 687 Ca 0.17 -0.44 -0.28 0.00 -0.01 0.00 0.00 57.00 56.45 2qr8 n GLN 687 Cb 0.20 -1.47 0.07 0.00 1.02 0.00 0.00 30.24 30.07 2qr8 n GLN 687 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2qr8 s TYR 688 N -2.71 3.01 0.37 1.08 -0.85 -1.26 -4.72 117.35 112.26 2qr8 s TYR 688 Ca 0.12 0.67 -0.26 0.00 -0.52 0.00 0.00 57.07 57.08 2qr8 s TYR 688 Cb 0.16 -3.28 -0.09 0.00 0.38 0.00 0.00 41.96 39.14 2qr8 s TYR 688 CO 0.72 -1.50 1.16 1.14 -1.52 0.00 0.00 175.55 175.55 2qr8 s GLN 689 N -5.39 4.22 1.08 -3.49 -2.07 -1.26 -4.31 119.66 108.44 2qr8 s GLN 689 Ca 0.60 1.85 -0.12 0.00 -1.82 0.00 0.00 55.36 55.87 2qr8 s GLN 689 Cb -0.11 -2.82 0.23 0.00 -1.09 0.00 0.00 33.01 29.23 2qr8 s GLN 689 CO 0.48 -0.18 1.06 -0.51 -1.32 0.00 0.00 175.29 174.82 2qr8 s LEU 690 N -2.21 1.27 -0.37 2.60 1.43 0.24 -4.93 118.68 116.71 2qr8 s LEU 690 Ca 0.54 1.38 -0.01 0.00 -1.03 0.00 0.00 54.13 55.00 2qr8 s LEU 690 Cb -0.31 -3.44 0.09 0.00 0.03 0.00 0.00 46.19 42.56 2qr8 s LEU 690 CO 0.40 -3.65 0.12 0.21 0.23 0.00 0.00 176.35 173.67 2qr8 s ASN 691 N -2.99 5.07 0.11 2.29 3.04 -1.26 -4.96 114.94 116.24 2qr8 s ASN 691 Ca 0.67 -1.86 0.04 0.00 0.04 0.00 0.00 52.86 51.75 2qr8 s ASN 691 Cb -0.22 -1.76 -0.04 0.00 -1.54 0.00 0.00 41.25 37.69 2qr8 s ASN 691 CO 0.61 -0.44 -0.10 -0.13 -3.04 0.00 0.00 177.10 174.00 2qr8 s ARG 692 N 1.13 0.90 0.67 0.43 0.52 -1.26 -4.49 118.95 116.84 2qr8 s ARG 692 Ca 0.05 -1.24 -0.16 0.00 -0.52 0.00 0.00 55.73 53.86 2qr8 s ARG 692 Cb -0.21 -0.53 0.01 0.00 0.52 0.00 0.00 34.95 34.73 2qr8 s ARG 692 CO -0.04 0.07 1.20 -1.14 0.02 0.00 0.00 175.30 175.41 2qr8 s GLN 693 N -3.09 2.52 -0.70 3.54 0.74 -0.32 -4.94 119.66 117.41 2qr8 s GLN 693 Ca 0.09 1.76 0.05 0.00 0.05 0.00 0.00 55.36 57.30 2qr8 s GLN 693 Cb -0.01 -1.88 0.20 0.00 1.10 0.00 0.00 33.01 32.42 2qr8 s GLN 693 CO -0.00 -1.54 0.60 -3.47 -0.55 0.00 0.00 175.29 170.32 2qr8 n ASP 694 N -2.26 3.36 -3.03 6.67 2.03 -1.26 -4.55 116.55 117.50 2qr8 n ASP 694 Ca 0.13 -3.29 -0.15 0.00 0.52 0.00 0.00 54.79 52.00 2qr8 n ASP 694 Cb 0.50 -0.75 -0.00 0.00 -0.72 0.00 0.00 41.12 40.15 2qr8 n ASP 694 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qr8 n ALA 695 N 1.62 1.80 -0.26 -1.67 0.00 -1.26 -4.98 120.51 115.76 2qr8 n ALA 695 Ca 0.23 -3.03 0.10 0.00 0.00 0.00 0.00 53.44 50.74 2qr8 n ALA 695 Cb 0.37 -0.97 0.36 0.00 0.00 0.00 0.00 19.45 19.21 2qr8 n ALA 695 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qr8 h PRO 696 N 2.97 0.72 -0.12 0.00 0.13 -1.90 -0.23 132.00 133.58 2qr8 h PRO 696 Ca 0.03 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.94 2qr8 h PRO 696 Cb 1.03 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 2qr8 h PRO 696 CO 0.43 0.48 -0.66 1.25 -0.23 0.00 0.00 178.00 179.27 2qr8 h HIS 697 N 0.74 0.62 -0.57 1.56 -0.00 -1.99 -1.19 115.15 114.33 2qr8 h HIS 697 Ca 0.42 -0.25 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 2qr8 h HIS 697 Cb 0.58 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.86 2qr8 h HIS 697 CO -0.00 1.00 0.03 1.25 -0.00 0.00 0.00 177.93 180.21 2qr8 h LEU 698 N 0.34 0.97 -1.12 0.26 5.85 -1.48 -2.64 115.31 117.48 2qr8 h LEU 698 Ca -0.02 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 2qr8 h LEU 698 Cb 1.22 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 2qr8 h LEU 698 CO 0.12 1.02 0.27 0.58 -0.34 0.00 0.00 178.44 180.09 2qr8 h VAL 699 N 0.88 1.21 -0.29 1.05 2.07 -0.97 -0.20 116.25 120.00 2qr8 h VAL 699 Ca 0.17 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.09 2qr8 h VAL 699 Cb 0.51 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2qr8 h VAL 699 CO 0.02 0.26 0.09 0.50 0.02 0.00 0.00 177.57 178.46 2qr8 h LYS 700 N 0.88 0.21 -0.42 1.57 3.64 -0.93 0.16 116.57 121.67 2qr8 h LYS 700 Ca 0.21 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 2qr8 h LYS 700 Cb 0.14 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 2qr8 h LYS 700 CO -0.02 0.14 -0.16 0.78 -2.27 0.00 0.00 179.45 177.91 2qr8 h GLY 701 N 0.22 0.86 1.00 5.01 0.00 -1.10 -1.99 103.07 107.07 2qr8 h GLY 701 Ca 0.13 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 2qr8 h GLY 701 CO -0.14 0.63 -0.03 0.00 0.00 0.00 0.00 176.54 176.99 2qr8 h ALA 702 N 1.11 0.63 -0.29 3.60 0.00 -0.67 -0.90 119.26 122.74 2qr8 h ALA 702 Ca 0.11 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2qr8 h ALA 702 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2qr8 h ALA 702 CO 0.05 0.46 0.18 1.98 0.00 0.00 0.00 179.25 181.93 2qr8 h MET 703 N 0.70 0.39 -0.59 0.00 -1.53 -0.68 -1.23 114.93 111.97 2qr8 h MET 703 Ca 0.13 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.34 2qr8 h MET 703 Cb 0.55 -0.08 -0.03 0.00 -0.55 0.00 0.00 31.60 31.49 2qr8 h MET 703 CO 0.03 0.28 0.30 0.00 0.14 0.00 0.00 176.91 177.66 2qr8 h ALA 704 N 1.09 1.42 -0.30 0.39 0.00 -1.17 -1.77 119.26 118.92 2qr8 h ALA 704 Ca 0.10 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2qr8 h ALA 704 Cb -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 2qr8 h ALA 704 CO -0.02 0.47 -0.46 0.00 0.00 0.00 0.00 179.25 179.24 2qr8 h ALA 705 N 1.51 0.46 0.68 0.00 0.00 -0.96 -0.39 119.26 120.56 2qr8 h ALA 705 Ca 0.21 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2qr8 h ALA 705 Cb 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qr8 h ALA 705 CO -0.03 0.61 -0.33 1.15 0.00 0.00 0.00 179.25 180.65 2qr8 h THR 706 N 0.61 0.30 0.00 0.00 2.02 -0.71 -0.16 112.91 114.98 2qr8 h THR 706 Ca 0.03 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.05 2qr8 h THR 706 Cb 1.06 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2qr8 h THR 706 CO 0.11 0.01 -0.32 1.88 0.37 0.00 0.00 175.52 177.57 2qr8 h TYR 707 N -0.98 0.00 -0.41 3.16 0.05 -1.34 -1.72 116.97 115.73 2qr8 h TYR 707 Ca -0.09 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2qr8 h TYR 707 Cb 0.72 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 2qr8 h TYR 707 CO -0.02 0.32 0.22 1.03 -1.05 0.00 0.00 178.16 178.66 2qr8 h SER 708 N 0.00 0.52 0.07 3.88 0.87 -0.94 -1.27 113.55 116.68 2qr8 h SER 708 Ca -0.00 -0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2qr8 h SER 708 Cb 0.61 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 2qr8 h SER 708 CO 0.04 0.47 -0.09 0.00 -0.53 0.00 0.00 176.83 176.72 2qr8 h ALA 709 N 1.07 -0.15 -0.13 6.23 0.00 -0.24 -3.03 119.26 123.01 2qr8 h ALA 709 Ca 0.14 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 2qr8 h ALA 709 Cb 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2qr8 h ALA 709 CO -0.02 -0.60 -0.18 -0.07 0.00 0.00 0.00 179.25 178.37 2qr8 h LEU 710 N -0.18 0.20 -3.10 0.00 3.38 -1.16 -3.24 115.31 111.21 2qr8 h LEU 710 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2qr8 h LEU 710 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.88 2qr8 h LEU 710 CO -0.04 0.41 0.00 0.59 0.09 0.00 0.00 178.44 179.49 2qr8 n ASN 711 N -4.23 4.83 0.17 -0.43 3.02 -0.50 -4.50 115.26 113.62 2qr8 n ASN 711 Ca -0.01 -2.55 0.13 0.00 -0.03 0.00 0.00 54.58 52.13 2qr8 n ASN 711 Cb 0.30 -0.60 0.48 0.00 -0.61 0.00 0.00 39.78 39.36 2qr8 n ASN 711 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2qr8 h ARG 712 N 3.90 0.00 -0.24 3.52 -0.00 -1.58 -1.63 114.38 118.35 2qr8 h ARG 712 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2qr8 h ARG 712 Cb 1.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.51 2qr8 h ARG 712 CO 0.29 0.00 0.00 0.09 -0.00 0.00 0.00 179.97 180.35 2qr8 n ASN 713 N -2.54 3.18 0.00 0.08 3.02 -1.26 -5.17 115.26 112.57 2qr8 n ASN 713 Ca 0.03 -1.95 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 2qr8 n ASN 713 Cb 0.32 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2qr8 n ASN 713 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64